USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot -1:sc= 0.0193 USER MOD Set 1.2: B 78 SER OG : rot -4:sc= 0.0112 USER MOD Set 2.1: B 57 MET CE :methyl -109:sc= -0.975 (180deg=-5.08!) USER MOD Set 2.2: B 68 CYS SG : rot -98:sc= 1 USER MOD Set 3.1: B 55 LYS NZ :NH3+ -178:sc=-0.00569 (180deg=-0.0035) USER MOD Set 3.2: B 79 MET CE :methyl -159:sc= -0.0549 (180deg=-1.02) USER MOD Set 3.3: Y 109 MET CE :methyl -147:sc= -0.149 (180deg=0) USER MOD Set 3.4: Y 112 THR OG1 : rot -140:sc= -0.341 USER MOD Set 4.1: B 41 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 42 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0.065) USER MOD Set 5.1: A 81 THR OG1 : rot 76:sc= 0.303 USER MOD Set 5.2: B 7 MET CE :methyl -178:sc=-0.00604 (180deg=-0.0112) USER MOD Set 6.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 79 MET CE :methyl -159:sc= -0.0987 (180deg=-0.985) USER MOD Set 6.3: X 109 MET CE :methyl 144:sc= -0.194 (180deg=0) USER MOD Set 6.4: X 112 THR OG1 : rot -150:sc= -0.452 USER MOD Set 7.1: A 57 MET CE :methyl -107:sc= -1.1 (180deg=-5.26!) USER MOD Set 7.2: A 68 CYS SG : rot -106:sc= 1.17 USER MOD Set 8.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 42 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=0.048) USER MOD Set 9.1: A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 9.2: B 81 THR OG1 : rot 87:sc= 0.416 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -155:sc= -0.117 (180deg=-1.12) USER MOD Single : A 1 SER OG : rot 180:sc= -0.182 USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= -0.3 (180deg=-1.22!) USER MOD Single : A 15 HIS : no HE2:sc= 0.967 K(o=0.97,f=-3.1!) USER MOD Single : A 16 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.35) USER MOD Single : A 17 TYR OH : rot -8:sc= -0.016 USER MOD Single : A 18 SER OG : rot 113:sc= -0.804 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -2.98! C(o=-3!,f=-5.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= -0.263 (180deg=-1.46!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.257 USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.251) USER MOD Single : A 37 ASN : amide:sc= -3.98! C(o=-4!,f=-8.3!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.461 F(o=-4.7!,f=-0.46) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.24 (180deg=-0.387) USER MOD Single : A 50 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 74 MET CE :methyl -153:sc= -1.8 (180deg=-4.57!) USER MOD Single : A 82 THR OG1 : rot -170:sc= -0.152 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.115 K(o=-0.12,f=-0.92) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -155:sc= -0.123 (180deg=-1.2) USER MOD Single : B 1 SER OG : rot 180:sc= -0.152 USER MOD Single : B 5 LYS NZ :NH3+ 157:sc= -0.231 (180deg=-1.3!) USER MOD Single : B 15 HIS : no HE2:sc= 0.959 K(o=0.96,f=-3.1!) USER MOD Single : B 16 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.46) USER MOD Single : B 17 TYR OH : rot -5:sc= -0.0511 USER MOD Single : B 18 SER OG : rot 107:sc= -0.422 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-5.6!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 142:sc= -0.234 (180deg=-1.53!) USER MOD Single : B 30 SER OG : rot 180:sc= -0.246 USER MOD Single : B 33 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.253) USER MOD Single : B 37 ASN : amide:sc= -3.93! C(o=-3.9!,f=-8!) USER MOD Single : B 38 ASN :FLIP amide:sc= -0.692 F(o=-5.3!,f=-0.69) USER MOD Single : B 48 LYS NZ :NH3+ -172:sc= -0.222 (180deg=-0.306) USER MOD Single : B 50 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 74 MET CE :methyl -154:sc= -2.03 (180deg=-4.23!) USER MOD Single : B 82 THR OG1 : rot -170:sc= -0.17 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 85 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-1) USER MOD Single : X 105 HIS :FLIP no HD1:sc= -1.79 F(o=-3.8!,f=-1.8) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 111 LYS NZ :NH3+ -116:sc= -5.47! (180deg=-14!) USER MOD Single : Y 105 HIS :FLIP no HD1:sc= -2.14 F(o=-4.2!,f=-2.1) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 111 LYS NZ :NH3+ -117:sc= -5.61! (180deg=-14.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.444 -2.850 -12.489 1.00 0.00 N ATOM 2 CA MET A 0 -0.602 -3.397 -13.398 1.00 0.00 C ATOM 3 C MET A 0 -1.805 -2.458 -13.414 1.00 0.00 C ATOM 4 O MET A 0 -2.833 -2.753 -12.838 1.00 0.00 O ATOM 5 CB MET A 0 -1.048 -4.768 -12.893 1.00 0.00 C ATOM 6 CG MET A 0 0.074 -5.786 -13.094 1.00 0.00 C ATOM 7 SD MET A 0 -0.478 -7.401 -12.488 1.00 0.00 S ATOM 8 CE MET A 0 0.967 -8.357 -13.005 1.00 0.00 C ATOM 0 H1 MET A 0 1.376 -3.210 -12.776 1.00 0.00 H new ATOM 0 H2 MET A 0 0.442 -1.811 -12.543 1.00 0.00 H new ATOM 0 H3 MET A 0 0.245 -3.146 -11.512 1.00 0.00 H new ATOM 0 HA MET A 0 -0.193 -3.489 -14.404 1.00 0.00 H new ATOM 0 HB2 MET A 0 -1.312 -4.708 -11.837 1.00 0.00 H new ATOM 0 HB3 MET A 0 -1.942 -5.089 -13.427 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.339 -5.851 -14.149 1.00 0.00 H new ATOM 0 HG3 MET A 0 0.970 -5.469 -12.559 1.00 0.00 H new ATOM 0 HE1 MET A 0 0.832 -9.401 -12.723 1.00 0.00 H new ATOM 0 HE2 MET A 0 1.083 -8.285 -14.086 1.00 0.00 H new ATOM 0 HE3 MET A 0 1.858 -7.962 -12.518 1.00 0.00 H new ATOM 20 N SER A 1 -1.690 -1.330 -14.061 1.00 0.00 N ATOM 21 CA SER A 1 -2.838 -0.381 -14.101 1.00 0.00 C ATOM 22 C SER A 1 -3.241 -0.030 -12.667 1.00 0.00 C ATOM 23 O SER A 1 -4.376 0.299 -12.386 1.00 0.00 O ATOM 24 CB SER A 1 -4.015 -1.038 -14.826 1.00 0.00 C ATOM 25 OG SER A 1 -3.548 -1.615 -16.038 1.00 0.00 O ATOM 0 H SER A 1 -0.855 -1.026 -14.561 1.00 0.00 H new ATOM 0 HA SER A 1 -2.554 0.527 -14.633 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.467 -1.803 -14.194 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.789 -0.299 -15.034 1.00 0.00 H new ATOM 0 HG SER A 1 -4.296 -2.040 -16.508 1.00 0.00 H new ATOM 31 N GLU A 2 -2.309 -0.108 -11.761 1.00 0.00 N ATOM 32 CA GLU A 2 -2.601 0.207 -10.332 1.00 0.00 C ATOM 33 C GLU A 2 -2.665 1.717 -10.120 1.00 0.00 C ATOM 34 O GLU A 2 -3.088 2.177 -9.087 1.00 0.00 O ATOM 35 CB GLU A 2 -1.500 -0.389 -9.455 1.00 0.00 C ATOM 36 CG GLU A 2 -1.562 -1.912 -9.561 1.00 0.00 C ATOM 37 CD GLU A 2 -0.462 -2.536 -8.698 1.00 0.00 C ATOM 38 OE1 GLU A 2 0.395 -1.798 -8.239 1.00 0.00 O ATOM 39 OE2 GLU A 2 -0.488 -3.743 -8.520 1.00 0.00 O ATOM 0 H GLU A 2 -1.344 -0.380 -11.950 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.566 -0.222 -10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.523 -0.027 -9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.631 -0.076 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.539 -2.269 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.440 -2.219 -10.600 1.00 0.00 H new ATOM 46 N LEU A 3 -2.243 2.498 -11.075 1.00 0.00 N ATOM 47 CA LEU A 3 -2.276 3.975 -10.880 1.00 0.00 C ATOM 48 C LEU A 3 -3.636 4.407 -10.324 1.00 0.00 C ATOM 49 O LEU A 3 -3.777 5.479 -9.807 1.00 0.00 O ATOM 50 CB LEU A 3 -1.992 4.692 -12.208 1.00 0.00 C ATOM 51 CG LEU A 3 -3.204 4.599 -13.146 1.00 0.00 C ATOM 52 CD1 LEU A 3 -2.890 5.336 -14.448 1.00 0.00 C ATOM 53 CD2 LEU A 3 -3.512 3.124 -13.437 1.00 0.00 C ATOM 0 H LEU A 3 -1.880 2.182 -11.974 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.503 4.250 -10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.753 5.738 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.120 4.247 -12.688 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.074 5.057 -12.675 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.748 5.273 -15.118 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.675 6.382 -14.231 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.023 4.879 -14.925 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.372 3.056 -14.103 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.648 2.659 -13.912 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.735 2.608 -12.503 1.00 0.00 H new ATOM 65 N GLU A 4 -4.642 3.597 -10.437 1.00 0.00 N ATOM 66 CA GLU A 4 -5.977 4.010 -9.906 1.00 0.00 C ATOM 67 C GLU A 4 -5.891 4.162 -8.385 1.00 0.00 C ATOM 68 O GLU A 4 -6.465 5.068 -7.809 1.00 0.00 O ATOM 69 CB GLU A 4 -7.033 2.961 -10.277 1.00 0.00 C ATOM 70 CG GLU A 4 -7.292 3.005 -11.788 1.00 0.00 C ATOM 71 CD GLU A 4 -8.342 1.954 -12.165 1.00 0.00 C ATOM 72 OE1 GLU A 4 -8.669 1.139 -11.318 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.797 1.981 -13.297 1.00 0.00 O ATOM 0 H GLU A 4 -4.607 2.673 -10.869 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.266 4.965 -10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.692 1.968 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.958 3.153 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.637 3.997 -12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.365 2.818 -12.331 1.00 0.00 H new ATOM 80 N LYS A 5 -5.185 3.283 -7.730 1.00 0.00 N ATOM 81 CA LYS A 5 -5.065 3.381 -6.246 1.00 0.00 C ATOM 82 C LYS A 5 -4.067 4.479 -5.887 1.00 0.00 C ATOM 83 O LYS A 5 -4.219 5.178 -4.910 1.00 0.00 O ATOM 84 CB LYS A 5 -4.597 2.029 -5.675 1.00 0.00 C ATOM 85 CG LYS A 5 -3.080 1.857 -5.847 1.00 0.00 C ATOM 86 CD LYS A 5 -2.696 0.405 -5.573 1.00 0.00 C ATOM 87 CE LYS A 5 -1.173 0.289 -5.443 1.00 0.00 C ATOM 88 NZ LYS A 5 -0.691 1.176 -4.342 1.00 0.00 N ATOM 0 H LYS A 5 -4.686 2.502 -8.156 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.035 3.629 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.857 1.967 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.119 1.216 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.784 2.138 -6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.549 2.520 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.176 0.058 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.051 -0.234 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.894 -0.745 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.696 0.568 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.234 0.840 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.598 2.149 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.373 1.157 -3.557 1.00 0.00 H new ATOM 102 N ALA A 6 -3.030 4.607 -6.661 1.00 0.00 N ATOM 103 CA ALA A 6 -1.997 5.632 -6.369 1.00 0.00 C ATOM 104 C ALA A 6 -2.594 7.035 -6.465 1.00 0.00 C ATOM 105 O ALA A 6 -2.398 7.855 -5.601 1.00 0.00 O ATOM 106 CB ALA A 6 -0.851 5.478 -7.379 1.00 0.00 C ATOM 0 H ALA A 6 -2.853 4.040 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.621 5.491 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.084 6.226 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.419 4.481 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.235 5.618 -8.389 1.00 0.00 H new ATOM 112 N MET A 7 -3.308 7.311 -7.512 1.00 0.00 N ATOM 113 CA MET A 7 -3.914 8.661 -7.679 1.00 0.00 C ATOM 114 C MET A 7 -4.860 8.957 -6.523 1.00 0.00 C ATOM 115 O MET A 7 -4.911 10.059 -6.011 1.00 0.00 O ATOM 116 CB MET A 7 -4.712 8.705 -8.985 1.00 0.00 C ATOM 117 CG MET A 7 -3.773 8.667 -10.193 1.00 0.00 C ATOM 118 SD MET A 7 -4.729 9.026 -11.691 1.00 0.00 S ATOM 119 CE MET A 7 -3.347 9.519 -12.749 1.00 0.00 C ATOM 0 H MET A 7 -3.502 6.655 -8.269 1.00 0.00 H new ATOM 0 HA MET A 7 -3.116 9.403 -7.699 1.00 0.00 H new ATOM 0 HB2 MET A 7 -5.400 7.860 -9.026 1.00 0.00 H new ATOM 0 HB3 MET A 7 -5.318 9.611 -9.017 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.973 9.398 -10.072 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.301 7.688 -10.273 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.722 9.786 -13.737 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.841 10.378 -12.309 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.644 8.691 -12.839 1.00 0.00 H new ATOM 129 N VAL A 8 -5.614 7.981 -6.118 1.00 0.00 N ATOM 130 CA VAL A 8 -6.574 8.193 -4.998 1.00 0.00 C ATOM 131 C VAL A 8 -5.801 8.531 -3.723 1.00 0.00 C ATOM 132 O VAL A 8 -6.219 9.340 -2.918 1.00 0.00 O ATOM 133 CB VAL A 8 -7.406 6.921 -4.791 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.220 7.037 -3.495 1.00 0.00 C ATOM 135 CG2 VAL A 8 -8.355 6.741 -5.981 1.00 0.00 C ATOM 0 H VAL A 8 -5.610 7.041 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.243 9.020 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.742 6.060 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.809 6.131 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.543 7.166 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.887 7.897 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.949 5.838 -5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.017 7.604 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.774 6.653 -6.899 1.00 0.00 H new ATOM 145 N ALA A 9 -4.689 7.885 -3.528 1.00 0.00 N ATOM 146 CA ALA A 9 -3.875 8.111 -2.300 1.00 0.00 C ATOM 147 C ALA A 9 -3.266 9.513 -2.278 1.00 0.00 C ATOM 148 O ALA A 9 -3.146 10.119 -1.234 1.00 0.00 O ATOM 149 CB ALA A 9 -2.743 7.097 -2.253 1.00 0.00 C ATOM 0 H ALA A 9 -4.302 7.199 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.535 8.002 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.146 7.260 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.158 6.089 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.113 7.214 -3.135 1.00 0.00 H new ATOM 155 N LEU A 10 -2.853 10.030 -3.403 1.00 0.00 N ATOM 156 CA LEU A 10 -2.224 11.383 -3.387 1.00 0.00 C ATOM 157 C LEU A 10 -3.245 12.361 -2.824 1.00 0.00 C ATOM 158 O LEU A 10 -2.931 13.255 -2.063 1.00 0.00 O ATOM 159 CB LEU A 10 -1.891 11.842 -4.816 1.00 0.00 C ATOM 160 CG LEU A 10 -0.928 10.875 -5.516 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.611 11.417 -6.916 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.373 10.722 -4.710 1.00 0.00 C ATOM 0 H LEU A 10 -2.921 9.584 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.311 11.347 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.811 11.922 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.447 12.837 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.399 9.895 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.073 10.737 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.533 11.500 -7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.148 12.400 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.041 10.032 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.858 11.693 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.143 10.332 -3.718 1.00 0.00 H new ATOM 174 N ILE A 11 -4.472 12.186 -3.214 1.00 0.00 N ATOM 175 CA ILE A 11 -5.556 13.082 -2.741 1.00 0.00 C ATOM 176 C ILE A 11 -5.822 12.888 -1.245 1.00 0.00 C ATOM 177 O ILE A 11 -6.072 13.836 -0.528 1.00 0.00 O ATOM 178 CB ILE A 11 -6.819 12.755 -3.550 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.620 13.232 -4.993 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.039 13.445 -2.942 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.670 12.610 -5.917 1.00 0.00 C ATOM 0 H ILE A 11 -4.774 11.448 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.263 14.122 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.989 11.678 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.689 14.319 -5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.621 12.963 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.925 13.202 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.178 13.102 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.886 14.524 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.511 12.961 -6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.581 11.524 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.666 12.901 -5.584 1.00 0.00 H new ATOM 193 N ASP A 12 -5.797 11.675 -0.770 1.00 0.00 N ATOM 194 CA ASP A 12 -6.085 11.444 0.676 1.00 0.00 C ATOM 195 C ASP A 12 -5.066 12.151 1.572 1.00 0.00 C ATOM 196 O ASP A 12 -5.424 12.856 2.488 1.00 0.00 O ATOM 197 CB ASP A 12 -6.054 9.941 0.946 1.00 0.00 C ATOM 198 CG ASP A 12 -6.339 9.679 2.423 1.00 0.00 C ATOM 199 OD1 ASP A 12 -5.477 9.983 3.232 1.00 0.00 O ATOM 200 OD2 ASP A 12 -7.408 9.175 2.721 1.00 0.00 O ATOM 0 H ASP A 12 -5.591 10.837 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.068 11.854 0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.795 9.435 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.080 9.533 0.675 1.00 0.00 H new ATOM 205 N VAL A 13 -3.807 11.962 1.311 1.00 0.00 N ATOM 206 CA VAL A 13 -2.738 12.600 2.144 1.00 0.00 C ATOM 207 C VAL A 13 -2.858 14.136 2.071 1.00 0.00 C ATOM 208 O VAL A 13 -2.681 14.839 3.061 1.00 0.00 O ATOM 209 CB VAL A 13 -1.358 12.077 1.639 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.447 13.214 1.155 1.00 0.00 C ATOM 211 CG2 VAL A 13 -0.642 11.303 2.758 1.00 0.00 C ATOM 0 H VAL A 13 -3.461 11.384 0.545 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.844 12.334 3.196 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.558 11.419 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.502 12.800 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.930 13.742 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.265 13.909 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.320 10.943 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.483 11.962 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.255 10.455 3.063 1.00 0.00 H new ATOM 221 N PHE A 14 -3.154 14.656 0.912 1.00 0.00 N ATOM 222 CA PHE A 14 -3.274 16.131 0.764 1.00 0.00 C ATOM 223 C PHE A 14 -4.288 16.658 1.774 1.00 0.00 C ATOM 224 O PHE A 14 -4.091 17.688 2.380 1.00 0.00 O ATOM 225 CB PHE A 14 -3.750 16.455 -0.658 1.00 0.00 C ATOM 226 CG PHE A 14 -3.889 17.953 -0.811 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.746 18.758 -0.839 1.00 0.00 C ATOM 228 CD2 PHE A 14 -5.158 18.539 -0.911 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.868 20.144 -0.968 1.00 0.00 C ATOM 230 CE2 PHE A 14 -5.279 19.927 -1.037 1.00 0.00 C ATOM 231 CZ PHE A 14 -4.134 20.731 -1.066 1.00 0.00 C ATOM 0 H PHE A 14 -3.318 14.120 0.060 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.307 16.601 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.039 16.068 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.705 15.968 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.767 18.308 -0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.042 17.919 -0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.983 20.763 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.257 20.379 -1.112 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.228 21.802 -1.164 1.00 0.00 H new ATOM 241 N HIS A 15 -5.361 15.956 1.966 1.00 0.00 N ATOM 242 CA HIS A 15 -6.390 16.407 2.940 1.00 0.00 C ATOM 243 C HIS A 15 -5.968 16.088 4.382 1.00 0.00 C ATOM 244 O HIS A 15 -6.482 16.673 5.315 1.00 0.00 O ATOM 245 CB HIS A 15 -7.719 15.712 2.631 1.00 0.00 C ATOM 246 CG HIS A 15 -8.318 16.307 1.386 1.00 0.00 C ATOM 247 ND1 HIS A 15 -7.876 15.967 0.114 1.00 0.00 N ATOM 248 CD2 HIS A 15 -9.317 17.230 1.200 1.00 0.00 C ATOM 249 CE1 HIS A 15 -8.602 16.676 -0.772 1.00 0.00 C ATOM 250 NE2 HIS A 15 -9.491 17.460 -0.162 1.00 0.00 N ATOM 0 H HIS A 15 -5.574 15.081 1.487 1.00 0.00 H new ATOM 0 HA HIS A 15 -6.501 17.487 2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.559 14.642 2.495 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.406 15.828 3.469 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.136 15.301 -0.109 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.881 17.705 1.989 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.479 16.617 -1.843 1.00 0.00 H new ATOM 259 N GLN A 16 -5.071 15.153 4.588 1.00 0.00 N ATOM 260 CA GLN A 16 -4.693 14.803 5.992 1.00 0.00 C ATOM 261 C GLN A 16 -4.159 16.022 6.742 1.00 0.00 C ATOM 262 O GLN A 16 -4.487 16.217 7.895 1.00 0.00 O ATOM 263 CB GLN A 16 -3.595 13.732 5.995 1.00 0.00 C ATOM 264 CG GLN A 16 -4.162 12.401 5.519 1.00 0.00 C ATOM 265 CD GLN A 16 -5.128 11.840 6.566 1.00 0.00 C ATOM 266 OE1 GLN A 16 -4.796 11.757 7.732 1.00 0.00 O ATOM 267 NE2 GLN A 16 -6.317 11.447 6.196 1.00 0.00 N ATOM 0 H GLN A 16 -4.592 14.626 3.858 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.592 14.434 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.774 14.039 5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.185 13.623 6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.680 12.536 4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.352 11.693 5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.596 11.517 5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.967 11.070 6.886 1.00 0.00 H new ATOM 276 N TYR A 17 -3.333 16.835 6.126 1.00 0.00 N ATOM 277 CA TYR A 17 -2.778 18.032 6.861 1.00 0.00 C ATOM 278 C TYR A 17 -3.272 19.348 6.241 1.00 0.00 C ATOM 279 O TYR A 17 -3.322 20.365 6.905 1.00 0.00 O ATOM 280 CB TYR A 17 -1.249 17.986 6.817 1.00 0.00 C ATOM 281 CG TYR A 17 -0.786 18.102 5.387 1.00 0.00 C ATOM 282 CD1 TYR A 17 -0.958 17.025 4.514 1.00 0.00 C ATOM 283 CD2 TYR A 17 -0.195 19.287 4.937 1.00 0.00 C ATOM 284 CE1 TYR A 17 -0.548 17.129 3.186 1.00 0.00 C ATOM 285 CE2 TYR A 17 0.225 19.398 3.610 1.00 0.00 C ATOM 286 CZ TYR A 17 0.047 18.319 2.727 1.00 0.00 C ATOM 287 OH TYR A 17 0.448 18.432 1.410 1.00 0.00 O ATOM 0 H TYR A 17 -3.019 16.730 5.161 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.126 17.994 7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.832 18.798 7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.889 17.054 7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.409 16.110 4.869 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.063 20.116 5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.687 16.298 2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.686 20.311 3.263 1.00 0.00 H new ATOM 0 HH TYR A 17 0.367 17.561 0.967 1.00 0.00 H new ATOM 297 N SER A 18 -3.623 19.358 4.982 1.00 0.00 N ATOM 298 CA SER A 18 -4.090 20.637 4.364 1.00 0.00 C ATOM 299 C SER A 18 -5.342 21.142 5.084 1.00 0.00 C ATOM 300 O SER A 18 -5.497 22.319 5.329 1.00 0.00 O ATOM 301 CB SER A 18 -4.423 20.409 2.891 1.00 0.00 C ATOM 302 OG SER A 18 -3.259 19.953 2.213 1.00 0.00 O ATOM 0 H SER A 18 -3.608 18.549 4.361 1.00 0.00 H new ATOM 0 HA SER A 18 -3.295 21.378 4.452 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.224 19.676 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.782 21.334 2.440 1.00 0.00 H new ATOM 0 HG SER A 18 -3.393 19.028 1.918 1.00 0.00 H new ATOM 308 N GLY A 19 -6.246 20.266 5.415 1.00 0.00 N ATOM 309 CA GLY A 19 -7.488 20.721 6.105 1.00 0.00 C ATOM 310 C GLY A 19 -7.194 21.023 7.576 1.00 0.00 C ATOM 311 O GLY A 19 -8.017 21.575 8.280 1.00 0.00 O ATOM 0 H GLY A 19 -6.183 19.263 5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.880 21.612 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.257 19.952 6.031 1.00 0.00 H new ATOM 315 N ARG A 20 -6.030 20.671 8.051 1.00 0.00 N ATOM 316 CA ARG A 20 -5.695 20.942 9.481 1.00 0.00 C ATOM 317 C ARG A 20 -5.736 22.451 9.739 1.00 0.00 C ATOM 318 O ARG A 20 -6.240 22.907 10.747 1.00 0.00 O ATOM 319 CB ARG A 20 -4.288 20.416 9.774 1.00 0.00 C ATOM 320 CG ARG A 20 -3.969 20.579 11.264 1.00 0.00 C ATOM 321 CD ARG A 20 -2.513 20.197 11.514 1.00 0.00 C ATOM 322 NE ARG A 20 -2.197 20.389 12.959 1.00 0.00 N ATOM 323 CZ ARG A 20 -1.106 19.879 13.464 1.00 0.00 C ATOM 324 NH1 ARG A 20 -0.249 19.278 12.687 1.00 0.00 N ATOM 325 NH2 ARG A 20 -0.871 19.979 14.746 1.00 0.00 N ATOM 0 H ARG A 20 -5.297 20.208 7.513 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.418 20.444 10.127 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.217 19.366 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.556 20.958 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.145 21.609 11.575 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.629 19.949 11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.342 19.159 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.853 20.810 10.900 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.834 20.919 13.554 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.431 19.207 11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.604 18.879 13.080 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.540 20.455 15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.019 19.581 15.141 1.00 0.00 H new ATOM 339 N GLU A 21 -5.197 23.228 8.839 1.00 0.00 N ATOM 340 CA GLU A 21 -5.186 24.707 9.036 1.00 0.00 C ATOM 341 C GLU A 21 -6.548 25.295 8.670 1.00 0.00 C ATOM 342 O GLU A 21 -7.347 25.604 9.532 1.00 0.00 O ATOM 343 CB GLU A 21 -4.117 25.326 8.129 1.00 0.00 C ATOM 344 CG GLU A 21 -3.983 26.824 8.425 1.00 0.00 C ATOM 345 CD GLU A 21 -3.441 27.017 9.841 1.00 0.00 C ATOM 346 OE1 GLU A 21 -2.905 26.065 10.383 1.00 0.00 O ATOM 347 OE2 GLU A 21 -3.570 28.114 10.358 1.00 0.00 O ATOM 0 H GLU A 21 -4.763 22.903 7.975 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.968 24.927 10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.160 24.828 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.384 25.176 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.314 27.290 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.952 27.313 8.325 1.00 0.00 H new ATOM 354 N GLY A 22 -6.826 25.461 7.405 1.00 0.00 N ATOM 355 CA GLY A 22 -8.143 26.040 7.021 1.00 0.00 C ATOM 356 C GLY A 22 -8.346 25.978 5.507 1.00 0.00 C ATOM 357 O GLY A 22 -9.441 25.741 5.037 1.00 0.00 O ATOM 0 H GLY A 22 -6.206 25.224 6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.944 25.496 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.202 27.075 7.358 1.00 0.00 H new ATOM 361 N ASP A 23 -7.320 26.193 4.730 1.00 0.00 N ATOM 362 CA ASP A 23 -7.510 26.139 3.254 1.00 0.00 C ATOM 363 C ASP A 23 -7.472 24.683 2.788 1.00 0.00 C ATOM 364 O ASP A 23 -6.437 24.049 2.760 1.00 0.00 O ATOM 365 CB ASP A 23 -6.396 26.932 2.573 1.00 0.00 C ATOM 366 CG ASP A 23 -6.681 28.433 2.689 1.00 0.00 C ATOM 367 OD1 ASP A 23 -7.776 28.781 3.100 1.00 0.00 O ATOM 368 OD2 ASP A 23 -5.799 29.209 2.366 1.00 0.00 O ATOM 0 H ASP A 23 -6.373 26.401 5.047 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.475 26.573 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.437 26.698 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.323 26.646 1.524 1.00 0.00 H new ATOM 373 N LYS A 24 -8.606 24.153 2.421 1.00 0.00 N ATOM 374 CA LYS A 24 -8.664 22.741 1.952 1.00 0.00 C ATOM 375 C LYS A 24 -8.352 22.685 0.453 1.00 0.00 C ATOM 376 O LYS A 24 -7.899 21.679 -0.057 1.00 0.00 O ATOM 377 CB LYS A 24 -10.077 22.200 2.184 1.00 0.00 C ATOM 378 CG LYS A 24 -10.325 22.038 3.685 1.00 0.00 C ATOM 379 CD LYS A 24 -11.716 21.444 3.928 1.00 0.00 C ATOM 380 CE LYS A 24 -12.806 22.434 3.504 1.00 0.00 C ATOM 381 NZ LYS A 24 -14.064 22.093 4.224 1.00 0.00 N ATOM 0 H LYS A 24 -9.501 24.642 2.426 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.936 22.143 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.813 22.880 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.197 21.241 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.564 21.390 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.242 23.005 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.823 20.515 3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.832 21.196 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.502 23.454 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.962 22.386 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.814 22.757 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.352 21.124 3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.906 22.159 5.250 1.00 0.00 H new ATOM 395 N HIS A 25 -8.614 23.753 -0.264 1.00 0.00 N ATOM 396 CA HIS A 25 -8.357 23.759 -1.741 1.00 0.00 C ATOM 397 C HIS A 25 -7.037 24.472 -2.056 1.00 0.00 C ATOM 398 O HIS A 25 -6.626 24.540 -3.196 1.00 0.00 O ATOM 399 CB HIS A 25 -9.498 24.499 -2.445 1.00 0.00 C ATOM 400 CG HIS A 25 -9.554 25.906 -1.927 1.00 0.00 C ATOM 401 ND1 HIS A 25 -8.515 26.802 -2.120 1.00 0.00 N ATOM 402 CD2 HIS A 25 -10.503 26.581 -1.201 1.00 0.00 C ATOM 403 CE1 HIS A 25 -8.856 27.956 -1.519 1.00 0.00 C ATOM 404 NE2 HIS A 25 -10.057 27.873 -0.945 1.00 0.00 N ATOM 0 H HIS A 25 -8.995 24.622 0.110 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.296 22.728 -2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.339 24.500 -3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.446 23.992 -2.263 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.449 26.172 -0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.235 28.839 -1.503 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.546 28.603 -0.427 1.00 0.00 H new ATOM 413 N LYS A 26 -6.367 25.003 -1.064 1.00 0.00 N ATOM 414 CA LYS A 26 -5.071 25.711 -1.330 1.00 0.00 C ATOM 415 C LYS A 26 -4.079 25.364 -0.224 1.00 0.00 C ATOM 416 O LYS A 26 -4.429 25.264 0.934 1.00 0.00 O ATOM 417 CB LYS A 26 -5.311 27.225 -1.367 1.00 0.00 C ATOM 418 CG LYS A 26 -4.061 27.936 -1.889 1.00 0.00 C ATOM 419 CD LYS A 26 -4.313 29.450 -1.951 1.00 0.00 C ATOM 420 CE LYS A 26 -5.315 29.791 -3.064 1.00 0.00 C ATOM 421 NZ LYS A 26 -5.129 31.216 -3.470 1.00 0.00 N ATOM 0 H LYS A 26 -6.657 24.979 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.666 25.396 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.163 27.452 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.557 27.588 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.213 27.725 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.804 27.560 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.695 29.799 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.373 29.973 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.164 29.133 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.335 29.630 -2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.805 31.453 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.293 31.835 -2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.159 31.354 -3.819 1.00 0.00 H new ATOM 435 N LEU A 27 -2.840 25.160 -0.587 1.00 0.00 N ATOM 436 CA LEU A 27 -1.794 24.795 0.414 1.00 0.00 C ATOM 437 C LEU A 27 -0.887 26.005 0.652 1.00 0.00 C ATOM 438 O LEU A 27 -0.457 26.649 -0.278 1.00 0.00 O ATOM 439 CB LEU A 27 -0.964 23.629 -0.155 1.00 0.00 C ATOM 440 CG LEU A 27 -0.371 22.791 0.988 1.00 0.00 C ATOM 441 CD1 LEU A 27 -1.493 22.024 1.734 1.00 0.00 C ATOM 442 CD2 LEU A 27 0.659 21.811 0.407 1.00 0.00 C ATOM 0 H LEU A 27 -2.504 25.232 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.253 24.499 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.592 23.001 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.163 24.017 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 27 0.120 23.448 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.057 21.435 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.206 22.736 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.006 21.361 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.085 21.212 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.171 21.155 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.453 22.369 -0.089 1.00 0.00 H new ATOM 454 N LYS A 28 -0.586 26.313 1.887 1.00 0.00 N ATOM 455 CA LYS A 28 0.304 27.474 2.179 1.00 0.00 C ATOM 456 C LYS A 28 1.702 26.951 2.485 1.00 0.00 C ATOM 457 O LYS A 28 1.867 25.850 2.970 1.00 0.00 O ATOM 458 CB LYS A 28 -0.215 28.227 3.411 1.00 0.00 C ATOM 459 CG LYS A 28 -1.613 28.777 3.143 1.00 0.00 C ATOM 460 CD LYS A 28 -2.116 29.526 4.382 1.00 0.00 C ATOM 461 CE LYS A 28 -3.517 30.078 4.107 1.00 0.00 C ATOM 462 NZ LYS A 28 -3.904 31.044 5.176 1.00 0.00 N ATOM 0 H LYS A 28 -0.920 25.808 2.708 1.00 0.00 H new ATOM 0 HA LYS A 28 0.322 28.145 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.238 27.558 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.463 29.043 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.593 29.447 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.294 27.963 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.139 28.856 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.435 30.340 4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.538 30.571 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.237 29.261 4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.856 31.414 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.901 30.562 6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.224 31.831 5.195 1.00 0.00 H new ATOM 476 N LYS A 29 2.713 27.733 2.232 1.00 0.00 N ATOM 477 CA LYS A 29 4.094 27.276 2.543 1.00 0.00 C ATOM 478 C LYS A 29 4.102 26.761 3.979 1.00 0.00 C ATOM 479 O LYS A 29 4.946 25.984 4.380 1.00 0.00 O ATOM 480 CB LYS A 29 5.055 28.464 2.410 1.00 0.00 C ATOM 481 CG LYS A 29 4.760 29.507 3.501 1.00 0.00 C ATOM 482 CD LYS A 29 5.581 30.787 3.249 1.00 0.00 C ATOM 483 CE LYS A 29 4.841 31.715 2.274 1.00 0.00 C ATOM 484 NZ LYS A 29 3.481 32.025 2.806 1.00 0.00 N ATOM 0 H LYS A 29 2.643 28.666 1.825 1.00 0.00 H new ATOM 0 HA LYS A 29 4.408 26.488 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.086 28.119 2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.951 28.918 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.696 29.744 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.003 29.097 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.757 31.305 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.558 30.526 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.406 32.637 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.760 31.240 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.265 33.029 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.775 31.436 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.454 31.826 3.826 1.00 0.00 H new ATOM 498 N SER A 30 3.147 27.202 4.751 1.00 0.00 N ATOM 499 CA SER A 30 3.062 26.753 6.172 1.00 0.00 C ATOM 500 C SER A 30 2.492 25.331 6.234 1.00 0.00 C ATOM 501 O SER A 30 3.027 24.471 6.903 1.00 0.00 O ATOM 502 CB SER A 30 2.174 27.709 6.976 1.00 0.00 C ATOM 503 OG SER A 30 0.872 27.751 6.408 1.00 0.00 O ATOM 0 H SER A 30 2.420 27.855 4.460 1.00 0.00 H new ATOM 0 HA SER A 30 4.062 26.756 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.117 27.381 8.014 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.611 28.708 6.981 1.00 0.00 H new ATOM 0 HG SER A 30 0.308 28.362 6.927 1.00 0.00 H new ATOM 509 N GLU A 31 1.423 25.065 5.530 1.00 0.00 N ATOM 510 CA GLU A 31 0.848 23.689 5.545 1.00 0.00 C ATOM 511 C GLU A 31 1.831 22.751 4.843 1.00 0.00 C ATOM 512 O GLU A 31 2.009 21.612 5.229 1.00 0.00 O ATOM 513 CB GLU A 31 -0.489 23.681 4.808 1.00 0.00 C ATOM 514 CG GLU A 31 -1.516 24.497 5.592 1.00 0.00 C ATOM 515 CD GLU A 31 -2.820 24.553 4.798 1.00 0.00 C ATOM 516 OE1 GLU A 31 -2.894 25.342 3.872 1.00 0.00 O ATOM 517 OE2 GLU A 31 -3.719 23.800 5.124 1.00 0.00 O ATOM 0 H GLU A 31 0.925 25.739 4.948 1.00 0.00 H new ATOM 0 HA GLU A 31 0.683 23.361 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.366 24.098 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.841 22.657 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.689 24.045 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.140 25.505 5.769 1.00 0.00 H new ATOM 524 N LEU A 32 2.482 23.238 3.818 1.00 0.00 N ATOM 525 CA LEU A 32 3.469 22.400 3.081 1.00 0.00 C ATOM 526 C LEU A 32 4.558 21.969 4.058 1.00 0.00 C ATOM 527 O LEU A 32 4.997 20.840 4.058 1.00 0.00 O ATOM 528 CB LEU A 32 4.083 23.244 1.953 1.00 0.00 C ATOM 529 CG LEU A 32 5.219 22.483 1.257 1.00 0.00 C ATOM 530 CD1 LEU A 32 4.700 21.153 0.705 1.00 0.00 C ATOM 531 CD2 LEU A 32 5.758 23.341 0.104 1.00 0.00 C ATOM 0 H LEU A 32 2.370 24.186 3.459 1.00 0.00 H new ATOM 0 HA LEU A 32 2.990 21.519 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.313 23.502 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.463 24.181 2.360 1.00 0.00 H new ATOM 0 HG LEU A 32 6.014 22.280 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.514 20.621 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.312 20.546 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.904 21.344 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.566 22.809 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.957 23.539 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.134 24.285 0.498 1.00 0.00 H new ATOM 543 N LYS A 33 4.979 22.862 4.901 1.00 0.00 N ATOM 544 CA LYS A 33 6.026 22.520 5.905 1.00 0.00 C ATOM 545 C LYS A 33 5.497 21.440 6.847 1.00 0.00 C ATOM 546 O LYS A 33 6.215 20.546 7.247 1.00 0.00 O ATOM 547 CB LYS A 33 6.397 23.772 6.709 1.00 0.00 C ATOM 548 CG LYS A 33 7.525 23.437 7.689 1.00 0.00 C ATOM 549 CD LYS A 33 7.916 24.691 8.472 1.00 0.00 C ATOM 550 CE LYS A 33 9.091 24.366 9.395 1.00 0.00 C ATOM 551 NZ LYS A 33 9.423 25.564 10.216 1.00 0.00 N ATOM 0 H LYS A 33 4.642 23.824 4.941 1.00 0.00 H new ATOM 0 HA LYS A 33 6.912 22.148 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.711 24.569 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.526 24.139 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.203 22.654 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.388 23.051 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.189 25.492 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.068 25.048 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.837 23.527 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.957 24.064 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.890 25.264 11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.061 26.186 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.550 26.080 10.446 1.00 0.00 H new ATOM 565 N GLU A 34 4.256 21.533 7.229 1.00 0.00 N ATOM 566 CA GLU A 34 3.689 20.529 8.171 1.00 0.00 C ATOM 567 C GLU A 34 3.764 19.129 7.568 1.00 0.00 C ATOM 568 O GLU A 34 4.030 18.174 8.253 1.00 0.00 O ATOM 569 CB GLU A 34 2.231 20.863 8.493 1.00 0.00 C ATOM 570 CG GLU A 34 2.160 22.140 9.332 1.00 0.00 C ATOM 571 CD GLU A 34 0.695 22.488 9.607 1.00 0.00 C ATOM 572 OE1 GLU A 34 0.170 22.010 10.599 1.00 0.00 O ATOM 573 OE2 GLU A 34 0.124 23.227 8.824 1.00 0.00 O ATOM 0 H GLU A 34 3.608 22.262 6.930 1.00 0.00 H new ATOM 0 HA GLU A 34 4.276 20.557 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.667 20.993 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.771 20.036 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.695 22.001 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.648 22.961 8.806 1.00 0.00 H new ATOM 580 N LEU A 35 3.510 18.983 6.303 1.00 0.00 N ATOM 581 CA LEU A 35 3.581 17.616 5.707 1.00 0.00 C ATOM 582 C LEU A 35 5.035 17.168 5.671 1.00 0.00 C ATOM 583 O LEU A 35 5.361 16.035 5.945 1.00 0.00 O ATOM 584 CB LEU A 35 3.008 17.650 4.277 1.00 0.00 C ATOM 585 CG LEU A 35 3.482 16.425 3.434 1.00 0.00 C ATOM 586 CD1 LEU A 35 2.362 15.968 2.499 1.00 0.00 C ATOM 587 CD2 LEU A 35 4.714 16.785 2.579 1.00 0.00 C ATOM 0 H LEU A 35 3.260 19.734 5.660 1.00 0.00 H new ATOM 0 HA LEU A 35 2.999 16.917 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.919 17.661 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.316 18.572 3.784 1.00 0.00 H new ATOM 0 HG LEU A 35 3.745 15.627 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.702 15.113 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.491 15.682 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.094 16.783 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.023 15.914 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.460 17.599 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.530 17.097 3.230 1.00 0.00 H new ATOM 599 N ILE A 36 5.903 18.045 5.294 1.00 0.00 N ATOM 600 CA ILE A 36 7.331 17.674 5.184 1.00 0.00 C ATOM 601 C ILE A 36 7.962 17.436 6.558 1.00 0.00 C ATOM 602 O ILE A 36 8.723 16.510 6.741 1.00 0.00 O ATOM 603 CB ILE A 36 8.066 18.805 4.464 1.00 0.00 C ATOM 604 CG1 ILE A 36 7.495 18.971 3.045 1.00 0.00 C ATOM 605 CG2 ILE A 36 9.557 18.474 4.384 1.00 0.00 C ATOM 606 CD1 ILE A 36 8.046 20.257 2.421 1.00 0.00 C ATOM 0 H ILE A 36 5.686 19.012 5.054 1.00 0.00 H new ATOM 0 HA ILE A 36 7.412 16.742 4.625 1.00 0.00 H new ATOM 0 HB ILE A 36 7.931 19.735 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.763 18.112 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.406 19.009 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.082 19.280 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.959 18.362 5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.694 17.543 3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.642 20.376 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.755 21.112 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.133 20.200 2.371 1.00 0.00 H new ATOM 618 N ASN A 37 7.691 18.267 7.521 1.00 0.00 N ATOM 619 CA ASN A 37 8.336 18.070 8.856 1.00 0.00 C ATOM 620 C ASN A 37 7.621 17.009 9.704 1.00 0.00 C ATOM 621 O ASN A 37 8.238 16.321 10.491 1.00 0.00 O ATOM 622 CB ASN A 37 8.325 19.398 9.609 1.00 0.00 C ATOM 623 CG ASN A 37 9.138 20.424 8.821 1.00 0.00 C ATOM 624 OD1 ASN A 37 9.110 20.435 7.608 1.00 0.00 O ATOM 625 ND2 ASN A 37 9.867 21.291 9.461 1.00 0.00 N ATOM 0 H ASN A 37 7.060 19.065 7.450 1.00 0.00 H new ATOM 0 HA ASN A 37 9.354 17.721 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.301 19.749 9.739 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.747 19.269 10.606 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.414 21.979 8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.892 21.283 10.481 1.00 0.00 H new ATOM 632 N ASN A 38 6.329 16.914 9.601 1.00 0.00 N ATOM 633 CA ASN A 38 5.569 15.939 10.463 1.00 0.00 C ATOM 634 C ASN A 38 5.200 14.645 9.732 1.00 0.00 C ATOM 635 O ASN A 38 5.180 13.585 10.325 1.00 0.00 O ATOM 636 CB ASN A 38 4.285 16.613 10.949 1.00 0.00 C ATOM 637 CG ASN A 38 4.647 17.918 11.654 1.00 0.00 C ATOM 638 OD1 ASN A 38 5.905 18.202 11.850 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 3.779 18.684 12.028 1.00 0.00 N flip ATOM 0 H ASN A 38 5.756 17.464 8.961 1.00 0.00 H new ATOM 0 HA ASN A 38 6.222 15.664 11.292 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.621 16.811 10.107 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.748 15.953 11.630 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.797 18.457 11.872 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.033 19.553 12.497 1.00 0.00 H new ATOM 646 N GLU A 39 4.865 14.705 8.474 1.00 0.00 N ATOM 647 CA GLU A 39 4.449 13.450 7.773 1.00 0.00 C ATOM 648 C GLU A 39 5.671 12.697 7.243 1.00 0.00 C ATOM 649 O GLU A 39 5.581 11.535 6.896 1.00 0.00 O ATOM 650 CB GLU A 39 3.519 13.801 6.603 1.00 0.00 C ATOM 651 CG GLU A 39 2.708 12.569 6.197 1.00 0.00 C ATOM 652 CD GLU A 39 1.824 12.916 5.000 1.00 0.00 C ATOM 653 OE1 GLU A 39 0.742 13.432 5.220 1.00 0.00 O ATOM 654 OE2 GLU A 39 2.248 12.664 3.884 1.00 0.00 O ATOM 0 H GLU A 39 4.859 15.552 7.905 1.00 0.00 H new ATOM 0 HA GLU A 39 3.926 12.811 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.848 14.611 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.105 14.158 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.377 11.747 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.093 12.233 7.032 1.00 0.00 H new ATOM 661 N LEU A 40 6.812 13.337 7.178 1.00 0.00 N ATOM 662 CA LEU A 40 8.035 12.638 6.664 1.00 0.00 C ATOM 663 C LEU A 40 9.029 12.451 7.804 1.00 0.00 C ATOM 664 O LEU A 40 10.164 12.855 7.707 1.00 0.00 O ATOM 665 CB LEU A 40 8.689 13.479 5.566 1.00 0.00 C ATOM 666 CG LEU A 40 7.634 13.905 4.536 1.00 0.00 C ATOM 667 CD1 LEU A 40 8.308 14.657 3.377 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.918 12.672 3.983 1.00 0.00 C ATOM 0 H LEU A 40 6.952 14.308 7.457 1.00 0.00 H new ATOM 0 HA LEU A 40 7.748 11.668 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.160 14.360 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.476 12.906 5.077 1.00 0.00 H new ATOM 0 HG LEU A 40 6.911 14.559 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.553 14.956 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.812 15.543 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.037 14.005 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.171 12.982 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.643 12.015 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.429 12.139 4.798 1.00 0.00 H new ATOM 680 N SER A 41 8.621 11.843 8.884 1.00 0.00 N ATOM 681 CA SER A 41 9.567 11.651 10.019 1.00 0.00 C ATOM 682 C SER A 41 10.804 10.883 9.534 1.00 0.00 C ATOM 683 O SER A 41 11.919 11.215 9.883 1.00 0.00 O ATOM 684 CB SER A 41 8.875 10.855 11.128 1.00 0.00 C ATOM 685 OG SER A 41 9.741 10.768 12.253 1.00 0.00 O ATOM 0 H SER A 41 7.681 11.474 9.029 1.00 0.00 H new ATOM 0 HA SER A 41 9.874 12.624 10.404 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.940 11.339 11.410 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.622 9.857 10.771 1.00 0.00 H new ATOM 0 HG SER A 41 9.301 10.260 12.966 1.00 0.00 H new ATOM 691 N HIS A 42 10.623 9.863 8.726 1.00 0.00 N ATOM 692 CA HIS A 42 11.803 9.082 8.215 1.00 0.00 C ATOM 693 C HIS A 42 11.630 8.752 6.729 1.00 0.00 C ATOM 694 O HIS A 42 12.553 8.306 6.079 1.00 0.00 O ATOM 695 CB HIS A 42 11.937 7.774 8.999 1.00 0.00 C ATOM 696 CG HIS A 42 12.396 8.076 10.396 1.00 0.00 C ATOM 697 ND1 HIS A 42 13.702 8.449 10.679 1.00 0.00 N ATOM 698 CD2 HIS A 42 11.735 8.076 11.598 1.00 0.00 C ATOM 699 CE1 HIS A 42 13.785 8.659 12.005 1.00 0.00 C ATOM 700 NE2 HIS A 42 12.616 8.444 12.609 1.00 0.00 N ATOM 0 H HIS A 42 9.714 9.537 8.398 1.00 0.00 H new ATOM 0 HA HIS A 42 12.698 9.691 8.346 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.980 7.252 9.023 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.649 7.112 8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.693 7.829 11.737 1.00 0.00 H new ATOM 0 HE1 HIS A 42 14.686 8.964 12.517 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.411 8.531 13.604 1.00 0.00 H new ATOM 709 N PHE A 43 10.463 8.947 6.182 1.00 0.00 N ATOM 710 CA PHE A 43 10.265 8.616 4.744 1.00 0.00 C ATOM 711 C PHE A 43 11.037 9.616 3.860 1.00 0.00 C ATOM 712 O PHE A 43 11.367 9.320 2.730 1.00 0.00 O ATOM 713 CB PHE A 43 8.755 8.619 4.426 1.00 0.00 C ATOM 714 CG PHE A 43 8.490 8.277 2.964 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.066 7.134 2.375 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.664 9.111 2.188 1.00 0.00 C ATOM 717 CE1 PHE A 43 8.816 6.836 1.031 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.421 8.806 0.842 1.00 0.00 C ATOM 719 CZ PHE A 43 7.998 7.669 0.266 1.00 0.00 C ATOM 0 H PHE A 43 9.644 9.318 6.664 1.00 0.00 H new ATOM 0 HA PHE A 43 10.658 7.622 4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.246 7.899 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.337 9.600 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.701 6.487 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.216 9.988 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.258 5.958 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.788 9.449 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.810 7.436 -0.772 1.00 0.00 H new ATOM 729 N LEU A 44 11.356 10.783 4.370 1.00 0.00 N ATOM 730 CA LEU A 44 12.136 11.774 3.558 1.00 0.00 C ATOM 731 C LEU A 44 12.939 12.648 4.523 1.00 0.00 C ATOM 732 O LEU A 44 12.705 12.638 5.715 1.00 0.00 O ATOM 733 CB LEU A 44 11.181 12.658 2.732 1.00 0.00 C ATOM 734 CG LEU A 44 11.889 13.192 1.465 1.00 0.00 C ATOM 735 CD1 LEU A 44 11.856 12.143 0.345 1.00 0.00 C ATOM 736 CD2 LEU A 44 11.177 14.458 0.971 1.00 0.00 C ATOM 0 H LEU A 44 11.111 11.092 5.311 1.00 0.00 H new ATOM 0 HA LEU A 44 12.800 11.251 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.300 12.083 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.834 13.493 3.340 1.00 0.00 H new ATOM 0 HG LEU A 44 12.925 13.415 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.359 12.537 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.365 11.238 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.821 11.907 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.678 14.832 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.140 14.223 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.207 15.220 1.750 1.00 0.00 H new ATOM 748 N GLU A 45 13.877 13.408 4.034 1.00 0.00 N ATOM 749 CA GLU A 45 14.659 14.261 4.961 1.00 0.00 C ATOM 750 C GLU A 45 13.754 15.374 5.502 1.00 0.00 C ATOM 751 O GLU A 45 13.243 16.192 4.764 1.00 0.00 O ATOM 752 CB GLU A 45 15.881 14.850 4.226 1.00 0.00 C ATOM 753 CG GLU A 45 15.491 16.071 3.380 1.00 0.00 C ATOM 754 CD GLU A 45 16.646 16.421 2.435 1.00 0.00 C ATOM 755 OE1 GLU A 45 17.716 15.856 2.603 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.442 17.248 1.563 1.00 0.00 O ATOM 0 H GLU A 45 14.131 13.474 3.048 1.00 0.00 H new ATOM 0 HA GLU A 45 15.023 13.666 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.641 15.137 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.324 14.088 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.589 15.858 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.265 16.919 4.027 1.00 0.00 H new ATOM 763 N GLU A 46 13.545 15.400 6.790 1.00 0.00 N ATOM 764 CA GLU A 46 12.672 16.457 7.382 1.00 0.00 C ATOM 765 C GLU A 46 13.326 17.822 7.206 1.00 0.00 C ATOM 766 O GLU A 46 14.532 17.941 7.123 1.00 0.00 O ATOM 767 CB GLU A 46 12.463 16.214 8.888 1.00 0.00 C ATOM 768 CG GLU A 46 11.394 15.156 9.098 1.00 0.00 C ATOM 769 CD GLU A 46 11.192 14.922 10.598 1.00 0.00 C ATOM 770 OE1 GLU A 46 10.376 15.616 11.178 1.00 0.00 O ATOM 771 OE2 GLU A 46 11.861 14.058 11.141 1.00 0.00 O ATOM 0 H GLU A 46 13.939 14.737 7.458 1.00 0.00 H new ATOM 0 HA GLU A 46 11.710 16.424 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.399 15.894 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.169 17.142 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.458 15.474 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.687 14.226 8.611 1.00 0.00 H new ATOM 778 N ILE A 47 12.531 18.858 7.181 1.00 0.00 N ATOM 779 CA ILE A 47 13.084 20.232 7.052 1.00 0.00 C ATOM 780 C ILE A 47 13.122 20.845 8.452 1.00 0.00 C ATOM 781 O ILE A 47 12.219 20.645 9.238 1.00 0.00 O ATOM 782 CB ILE A 47 12.186 21.054 6.129 1.00 0.00 C ATOM 783 CG1 ILE A 47 12.354 20.534 4.696 1.00 0.00 C ATOM 784 CG2 ILE A 47 12.579 22.529 6.212 1.00 0.00 C ATOM 785 CD1 ILE A 47 11.424 21.290 3.749 1.00 0.00 C ATOM 0 H ILE A 47 11.514 18.808 7.245 1.00 0.00 H new ATOM 0 HA ILE A 47 14.087 20.216 6.625 1.00 0.00 H new ATOM 0 HB ILE A 47 11.143 20.958 6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.389 20.656 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.133 19.467 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.938 23.114 5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.462 22.880 7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.618 22.646 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.552 20.912 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.390 21.145 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.665 22.353 3.774 1.00 0.00 H new ATOM 797 N LYS A 48 14.169 21.559 8.788 1.00 0.00 N ATOM 798 CA LYS A 48 14.272 22.150 10.163 1.00 0.00 C ATOM 799 C LYS A 48 14.124 23.670 10.089 1.00 0.00 C ATOM 800 O LYS A 48 13.739 24.307 11.051 1.00 0.00 O ATOM 801 CB LYS A 48 15.640 21.793 10.773 1.00 0.00 C ATOM 802 CG LYS A 48 16.052 20.357 10.389 1.00 0.00 C ATOM 803 CD LYS A 48 15.164 19.318 11.100 1.00 0.00 C ATOM 804 CE LYS A 48 15.237 17.983 10.348 1.00 0.00 C ATOM 805 NZ LYS A 48 14.803 16.876 11.249 1.00 0.00 N ATOM 0 H LYS A 48 14.957 21.759 8.172 1.00 0.00 H new ATOM 0 HA LYS A 48 13.477 21.745 10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.394 22.498 10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.595 21.886 11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.974 20.229 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.096 20.191 10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.494 19.186 12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.133 19.670 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.600 18.017 9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.255 17.805 10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.012 15.961 10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.314 16.943 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.780 16.951 11.423 1.00 0.00 H new ATOM 819 N GLU A 49 14.425 24.254 8.959 1.00 0.00 N ATOM 820 CA GLU A 49 14.304 25.738 8.813 1.00 0.00 C ATOM 821 C GLU A 49 13.193 26.058 7.824 1.00 0.00 C ATOM 822 O GLU A 49 13.038 25.402 6.813 1.00 0.00 O ATOM 823 CB GLU A 49 15.613 26.316 8.280 1.00 0.00 C ATOM 824 CG GLU A 49 16.681 26.212 9.362 1.00 0.00 C ATOM 825 CD GLU A 49 18.026 26.709 8.828 1.00 0.00 C ATOM 826 OE1 GLU A 49 18.247 27.908 8.858 1.00 0.00 O ATOM 827 OE2 GLU A 49 18.816 25.880 8.408 1.00 0.00 O ATOM 0 H GLU A 49 14.751 23.765 8.125 1.00 0.00 H new ATOM 0 HA GLU A 49 14.079 26.173 9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.928 25.774 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.473 27.357 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.387 26.801 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.773 25.178 9.694 1.00 0.00 H new ATOM 834 N GLN A 50 12.427 27.068 8.097 1.00 0.00 N ATOM 835 CA GLN A 50 11.340 27.436 7.159 1.00 0.00 C ATOM 836 C GLN A 50 11.964 27.995 5.880 1.00 0.00 C ATOM 837 O GLN A 50 11.328 28.057 4.854 1.00 0.00 O ATOM 838 CB GLN A 50 10.443 28.508 7.794 1.00 0.00 C ATOM 839 CG GLN A 50 11.285 29.752 8.205 1.00 0.00 C ATOM 840 CD GLN A 50 10.593 31.043 7.749 1.00 0.00 C ATOM 841 OE1 GLN A 50 10.324 31.919 8.548 1.00 0.00 O ATOM 842 NE2 GLN A 50 10.296 31.194 6.485 1.00 0.00 N ATOM 0 H GLN A 50 12.505 27.655 8.928 1.00 0.00 H new ATOM 0 HA GLN A 50 10.739 26.556 6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.666 28.804 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.940 28.097 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.419 29.767 9.287 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.279 29.689 7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.523 30.458 5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.838 32.048 6.167 1.00 0.00 H new ATOM 851 N GLU A 51 13.203 28.425 5.938 1.00 0.00 N ATOM 852 CA GLU A 51 13.839 28.997 4.711 1.00 0.00 C ATOM 853 C GLU A 51 13.872 27.942 3.611 1.00 0.00 C ATOM 854 O GLU A 51 13.635 28.232 2.458 1.00 0.00 O ATOM 855 CB GLU A 51 15.272 29.464 5.023 1.00 0.00 C ATOM 856 CG GLU A 51 16.209 28.253 5.140 1.00 0.00 C ATOM 857 CD GLU A 51 17.527 28.680 5.788 1.00 0.00 C ATOM 858 OE1 GLU A 51 17.500 29.069 6.943 1.00 0.00 O ATOM 859 OE2 GLU A 51 18.543 28.611 5.115 1.00 0.00 O ATOM 0 H GLU A 51 13.793 28.405 6.770 1.00 0.00 H new ATOM 0 HA GLU A 51 13.253 29.853 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.624 30.131 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.283 30.033 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.736 27.472 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.398 27.831 4.153 1.00 0.00 H new ATOM 866 N VAL A 52 14.165 26.723 3.955 1.00 0.00 N ATOM 867 CA VAL A 52 14.205 25.660 2.921 1.00 0.00 C ATOM 868 C VAL A 52 12.834 25.560 2.284 1.00 0.00 C ATOM 869 O VAL A 52 12.699 25.352 1.102 1.00 0.00 O ATOM 870 CB VAL A 52 14.576 24.321 3.553 1.00 0.00 C ATOM 871 CG1 VAL A 52 14.626 23.238 2.474 1.00 0.00 C ATOM 872 CG2 VAL A 52 15.939 24.436 4.234 1.00 0.00 C ATOM 0 H VAL A 52 14.378 26.418 4.905 1.00 0.00 H new ATOM 0 HA VAL A 52 14.955 25.907 2.169 1.00 0.00 H new ATOM 0 HB VAL A 52 13.825 24.052 4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.891 22.283 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.649 23.154 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.373 23.504 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.202 23.479 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.693 24.709 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.895 25.202 5.008 1.00 0.00 H new ATOM 882 N VAL A 53 11.815 25.685 3.074 1.00 0.00 N ATOM 883 CA VAL A 53 10.438 25.590 2.536 1.00 0.00 C ATOM 884 C VAL A 53 10.172 26.724 1.559 1.00 0.00 C ATOM 885 O VAL A 53 9.509 26.545 0.572 1.00 0.00 O ATOM 886 CB VAL A 53 9.444 25.666 3.684 1.00 0.00 C ATOM 887 CG1 VAL A 53 8.028 25.482 3.144 1.00 0.00 C ATOM 888 CG2 VAL A 53 9.773 24.569 4.691 1.00 0.00 C ATOM 0 H VAL A 53 11.876 25.850 4.079 1.00 0.00 H new ATOM 0 HA VAL A 53 10.327 24.641 2.011 1.00 0.00 H new ATOM 0 HB VAL A 53 9.507 26.638 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.315 25.536 3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.809 26.268 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.947 24.510 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.067 24.613 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.702 23.596 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.785 24.713 5.069 1.00 0.00 H new ATOM 898 N ASP A 54 10.662 27.891 1.844 1.00 0.00 N ATOM 899 CA ASP A 54 10.425 29.052 0.943 1.00 0.00 C ATOM 900 C ASP A 54 11.118 28.819 -0.394 1.00 0.00 C ATOM 901 O ASP A 54 10.610 29.160 -1.440 1.00 0.00 O ATOM 902 CB ASP A 54 10.984 30.319 1.591 1.00 0.00 C ATOM 903 CG ASP A 54 10.124 30.694 2.798 1.00 0.00 C ATOM 904 OD1 ASP A 54 8.996 30.235 2.860 1.00 0.00 O ATOM 905 OD2 ASP A 54 10.608 31.430 3.643 1.00 0.00 O ATOM 0 H ASP A 54 11.223 28.096 2.671 1.00 0.00 H new ATOM 0 HA ASP A 54 9.354 29.166 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.016 30.157 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.993 31.136 0.869 1.00 0.00 H new ATOM 910 N LYS A 55 12.280 28.248 -0.354 1.00 0.00 N ATOM 911 CA LYS A 55 13.040 27.984 -1.607 1.00 0.00 C ATOM 912 C LYS A 55 12.294 26.936 -2.413 1.00 0.00 C ATOM 913 O LYS A 55 12.181 27.016 -3.622 1.00 0.00 O ATOM 914 CB LYS A 55 14.440 27.472 -1.259 1.00 0.00 C ATOM 915 CG LYS A 55 15.258 27.291 -2.542 1.00 0.00 C ATOM 916 CD LYS A 55 16.643 26.745 -2.182 1.00 0.00 C ATOM 917 CE LYS A 55 17.506 26.630 -3.443 1.00 0.00 C ATOM 918 NZ LYS A 55 17.117 25.414 -4.215 1.00 0.00 N ATOM 0 H LYS A 55 12.746 27.947 0.502 1.00 0.00 H new ATOM 0 HA LYS A 55 13.134 28.901 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.940 28.176 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.369 26.524 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.748 26.606 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.353 28.243 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.126 27.403 -1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.546 25.768 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.382 27.519 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 55 18.560 26.576 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.706 25.342 -5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.257 24.569 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.116 25.483 -4.490 1.00 0.00 H new ATOM 932 N VAL A 56 11.766 25.959 -1.740 1.00 0.00 N ATOM 933 CA VAL A 56 11.003 24.904 -2.439 1.00 0.00 C ATOM 934 C VAL A 56 9.752 25.553 -2.999 1.00 0.00 C ATOM 935 O VAL A 56 9.254 25.189 -4.045 1.00 0.00 O ATOM 936 CB VAL A 56 10.650 23.792 -1.442 1.00 0.00 C ATOM 937 CG1 VAL A 56 9.471 22.958 -1.956 1.00 0.00 C ATOM 938 CG2 VAL A 56 11.873 22.889 -1.258 1.00 0.00 C ATOM 0 H VAL A 56 11.832 25.848 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 56 11.581 24.456 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 56 10.365 24.242 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.237 22.175 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.601 23.601 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.736 22.504 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.635 22.094 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.150 22.451 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.706 23.478 -0.874 1.00 0.00 H new ATOM 948 N MET A 57 9.254 26.528 -2.307 1.00 0.00 N ATOM 949 CA MET A 57 8.045 27.227 -2.793 1.00 0.00 C ATOM 950 C MET A 57 8.410 28.041 -4.022 1.00 0.00 C ATOM 951 O MET A 57 7.605 28.260 -4.883 1.00 0.00 O ATOM 952 CB MET A 57 7.463 28.119 -1.699 1.00 0.00 C ATOM 953 CG MET A 57 6.757 27.238 -0.663 1.00 0.00 C ATOM 954 SD MET A 57 5.243 26.546 -1.378 1.00 0.00 S ATOM 955 CE MET A 57 4.146 27.944 -1.029 1.00 0.00 C ATOM 0 H MET A 57 9.632 26.872 -1.424 1.00 0.00 H new ATOM 0 HA MET A 57 7.281 26.496 -3.059 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.255 28.698 -1.224 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.760 28.833 -2.129 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.420 26.434 -0.343 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.517 27.825 0.224 1.00 0.00 H new ATOM 0 HE1 MET A 57 3.468 27.681 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.741 28.810 -0.738 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.568 28.184 -1.921 1.00 0.00 H new ATOM 965 N GLU A 58 9.630 28.465 -4.150 1.00 0.00 N ATOM 966 CA GLU A 58 9.986 29.225 -5.374 1.00 0.00 C ATOM 967 C GLU A 58 9.660 28.302 -6.549 1.00 0.00 C ATOM 968 O GLU A 58 9.137 28.716 -7.566 1.00 0.00 O ATOM 969 CB GLU A 58 11.481 29.570 -5.365 1.00 0.00 C ATOM 970 CG GLU A 58 11.829 30.381 -6.616 1.00 0.00 C ATOM 971 CD GLU A 58 13.315 30.751 -6.597 1.00 0.00 C ATOM 972 OE1 GLU A 58 13.962 30.482 -5.597 1.00 0.00 O ATOM 973 OE2 GLU A 58 13.782 31.292 -7.585 1.00 0.00 O ATOM 0 H GLU A 58 10.383 28.323 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 58 9.436 30.164 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.727 30.140 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.075 28.657 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.600 29.802 -7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.220 31.284 -6.656 1.00 0.00 H new ATOM 980 N THR A 59 9.955 27.041 -6.387 1.00 0.00 N ATOM 981 CA THR A 59 9.661 26.043 -7.452 1.00 0.00 C ATOM 982 C THR A 59 8.157 25.693 -7.487 1.00 0.00 C ATOM 983 O THR A 59 7.574 25.557 -8.543 1.00 0.00 O ATOM 984 CB THR A 59 10.468 24.770 -7.162 1.00 0.00 C ATOM 985 OG1 THR A 59 11.852 25.084 -7.121 1.00 0.00 O ATOM 986 CG2 THR A 59 10.220 23.726 -8.252 1.00 0.00 C ATOM 0 H THR A 59 10.393 26.656 -5.550 1.00 0.00 H new ATOM 0 HA THR A 59 9.936 26.466 -8.418 1.00 0.00 H new ATOM 0 HB THR A 59 10.152 24.365 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.366 24.271 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.798 22.828 -8.034 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.159 23.476 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.525 24.129 -9.218 1.00 0.00 H new ATOM 994 N LEU A 60 7.532 25.510 -6.345 1.00 0.00 N ATOM 995 CA LEU A 60 6.079 25.127 -6.323 1.00 0.00 C ATOM 996 C LEU A 60 5.183 26.369 -6.290 1.00 0.00 C ATOM 997 O LEU A 60 3.999 26.290 -6.544 1.00 0.00 O ATOM 998 CB LEU A 60 5.794 24.272 -5.084 1.00 0.00 C ATOM 999 CG LEU A 60 6.815 23.131 -4.980 1.00 0.00 C ATOM 1000 CD1 LEU A 60 6.465 22.243 -3.784 1.00 0.00 C ATOM 1001 CD2 LEU A 60 6.808 22.292 -6.262 1.00 0.00 C ATOM 0 H LEU A 60 7.965 25.609 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 60 5.861 24.563 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.838 24.891 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.785 23.863 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 60 7.809 23.556 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.189 21.432 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.489 22.837 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.467 21.827 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.537 21.487 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.815 21.868 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.067 22.924 -7.112 1.00 0.00 H new ATOM 1013 N ASP A 61 5.726 27.514 -5.992 1.00 0.00 N ATOM 1014 CA ASP A 61 4.881 28.744 -5.965 1.00 0.00 C ATOM 1015 C ASP A 61 4.748 29.216 -7.399 1.00 0.00 C ATOM 1016 O ASP A 61 5.158 30.299 -7.767 1.00 0.00 O ATOM 1017 CB ASP A 61 5.530 29.831 -5.106 1.00 0.00 C ATOM 1018 CG ASP A 61 4.553 30.995 -4.943 1.00 0.00 C ATOM 1019 OD1 ASP A 61 3.540 30.990 -5.625 1.00 0.00 O ATOM 1020 OD2 ASP A 61 4.829 31.866 -4.136 1.00 0.00 O ATOM 0 H ASP A 61 6.711 27.654 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 61 3.905 28.530 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.799 29.427 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.452 30.177 -5.573 1.00 0.00 H new ATOM 1025 N GLU A 62 4.203 28.369 -8.210 1.00 0.00 N ATOM 1026 CA GLU A 62 4.048 28.678 -9.649 1.00 0.00 C ATOM 1027 C GLU A 62 3.193 29.933 -9.828 1.00 0.00 C ATOM 1028 O GLU A 62 3.465 30.756 -10.677 1.00 0.00 O ATOM 1029 CB GLU A 62 3.372 27.488 -10.325 1.00 0.00 C ATOM 1030 CG GLU A 62 4.114 26.196 -9.950 1.00 0.00 C ATOM 1031 CD GLU A 62 3.480 25.014 -10.688 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.428 25.203 -11.275 1.00 0.00 O ATOM 1033 OE2 GLU A 62 4.062 23.941 -10.661 1.00 0.00 O ATOM 0 H GLU A 62 3.850 27.454 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 62 5.024 28.860 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.329 27.424 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.375 27.621 -11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.169 26.280 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.066 26.035 -8.873 1.00 0.00 H new ATOM 1040 N ASP A 63 2.169 30.098 -9.039 1.00 0.00 N ATOM 1041 CA ASP A 63 1.321 31.319 -9.181 1.00 0.00 C ATOM 1042 C ASP A 63 2.011 32.485 -8.470 1.00 0.00 C ATOM 1043 O ASP A 63 1.582 33.618 -8.555 1.00 0.00 O ATOM 1044 CB ASP A 63 -0.056 31.073 -8.562 1.00 0.00 C ATOM 1045 CG ASP A 63 0.097 30.793 -7.070 1.00 0.00 C ATOM 1046 OD1 ASP A 63 1.222 30.804 -6.600 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -0.914 30.581 -6.421 1.00 0.00 O ATOM 0 H ASP A 63 1.882 29.448 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 63 1.191 31.556 -10.237 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.696 31.942 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.541 30.229 -9.053 1.00 0.00 H new ATOM 1052 N GLY A 64 3.094 32.219 -7.789 1.00 0.00 N ATOM 1053 CA GLY A 64 3.829 33.319 -7.098 1.00 0.00 C ATOM 1054 C GLY A 64 2.966 33.943 -5.993 1.00 0.00 C ATOM 1055 O GLY A 64 3.020 35.135 -5.766 1.00 0.00 O ATOM 0 H GLY A 64 3.501 31.290 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.753 32.931 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.111 34.084 -7.821 1.00 0.00 H new ATOM 1059 N ASP A 65 2.170 33.158 -5.303 1.00 0.00 N ATOM 1060 CA ASP A 65 1.303 33.721 -4.212 1.00 0.00 C ATOM 1061 C ASP A 65 1.854 33.314 -2.839 1.00 0.00 C ATOM 1062 O ASP A 65 1.290 33.644 -1.813 1.00 0.00 O ATOM 1063 CB ASP A 65 -0.114 33.176 -4.377 1.00 0.00 C ATOM 1064 CG ASP A 65 -0.092 31.664 -4.191 1.00 0.00 C ATOM 1065 OD1 ASP A 65 0.989 31.104 -4.246 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -1.153 31.095 -4.002 1.00 0.00 O ATOM 0 H ASP A 65 2.082 32.152 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 65 1.294 34.809 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.781 33.635 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.501 33.428 -5.364 1.00 0.00 H new ATOM 1071 N GLY A 66 2.941 32.590 -2.807 1.00 0.00 N ATOM 1072 CA GLY A 66 3.509 32.153 -1.496 1.00 0.00 C ATOM 1073 C GLY A 66 2.733 30.933 -1.009 1.00 0.00 C ATOM 1074 O GLY A 66 2.927 30.442 0.084 1.00 0.00 O ATOM 0 H GLY A 66 3.460 32.282 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.566 31.910 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.441 32.960 -0.767 1.00 0.00 H new ATOM 1078 N GLU A 67 1.854 30.441 -1.834 1.00 0.00 N ATOM 1079 CA GLU A 67 1.040 29.250 -1.479 1.00 0.00 C ATOM 1080 C GLU A 67 0.948 28.365 -2.730 1.00 0.00 C ATOM 1081 O GLU A 67 0.738 28.851 -3.820 1.00 0.00 O ATOM 1082 CB GLU A 67 -0.360 29.717 -1.062 1.00 0.00 C ATOM 1083 CG GLU A 67 -0.240 30.818 -0.003 1.00 0.00 C ATOM 1084 CD GLU A 67 -1.639 31.261 0.431 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.598 30.677 -0.045 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.726 32.174 1.235 1.00 0.00 O ATOM 0 H GLU A 67 1.662 30.824 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 67 1.487 28.693 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.903 30.091 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.931 28.878 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.320 30.451 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.313 31.666 -0.406 1.00 0.00 H new ATOM 1093 N CYS A 68 1.103 27.076 -2.593 1.00 0.00 N ATOM 1094 CA CYS A 68 1.023 26.173 -3.786 1.00 0.00 C ATOM 1095 C CYS A 68 -0.368 25.541 -3.800 1.00 0.00 C ATOM 1096 O CYS A 68 -0.774 24.890 -2.858 1.00 0.00 O ATOM 1097 CB CYS A 68 2.128 25.097 -3.691 1.00 0.00 C ATOM 1098 SG CYS A 68 2.607 24.871 -1.958 1.00 0.00 S ATOM 0 H CYS A 68 1.282 26.605 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 68 1.178 26.727 -4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.769 24.155 -4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.993 25.396 -4.282 1.00 0.00 H new ATOM 0 HG CYS A 68 3.772 25.411 -1.756 1.00 0.00 H new ATOM 1104 N ASP A 69 -1.110 25.744 -4.852 1.00 0.00 N ATOM 1105 CA ASP A 69 -2.478 25.177 -4.915 1.00 0.00 C ATOM 1106 C ASP A 69 -2.384 23.667 -4.801 1.00 0.00 C ATOM 1107 O ASP A 69 -1.328 23.092 -4.980 1.00 0.00 O ATOM 1108 CB ASP A 69 -3.122 25.551 -6.253 1.00 0.00 C ATOM 1109 CG ASP A 69 -4.618 25.235 -6.218 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -5.061 24.655 -5.240 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -5.299 25.591 -7.164 1.00 0.00 O ATOM 0 H ASP A 69 -0.824 26.280 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.085 25.574 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.970 26.611 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.644 25.000 -7.063 1.00 0.00 H new ATOM 1116 N PHE A 70 -3.472 23.011 -4.511 1.00 0.00 N ATOM 1117 CA PHE A 70 -3.435 21.540 -4.396 1.00 0.00 C ATOM 1118 C PHE A 70 -2.704 20.987 -5.624 1.00 0.00 C ATOM 1119 O PHE A 70 -1.911 20.084 -5.528 1.00 0.00 O ATOM 1120 CB PHE A 70 -4.882 21.032 -4.345 1.00 0.00 C ATOM 1121 CG PHE A 70 -4.939 19.559 -4.669 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -4.034 18.675 -4.075 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -5.894 19.079 -5.573 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -4.082 17.318 -4.384 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -5.944 17.721 -5.877 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.036 16.838 -5.283 1.00 0.00 C ATOM 0 H PHE A 70 -4.384 23.437 -4.349 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.913 21.216 -3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.300 21.208 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.494 21.590 -5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.298 19.044 -3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.592 19.762 -6.035 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.380 16.636 -3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.683 17.350 -6.571 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.073 15.785 -5.520 1.00 0.00 H new ATOM 1136 N GLN A 71 -2.957 21.557 -6.768 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.273 21.109 -8.015 1.00 0.00 C ATOM 1138 C GLN A 71 -0.758 21.316 -7.899 1.00 0.00 C ATOM 1139 O GLN A 71 0.027 20.461 -8.261 1.00 0.00 O ATOM 1140 CB GLN A 71 -2.815 21.936 -9.194 1.00 0.00 C ATOM 1141 CG GLN A 71 -1.958 21.701 -10.442 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.667 22.268 -11.675 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.777 21.880 -11.981 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -2.069 23.176 -12.400 1.00 0.00 N ATOM 0 H GLN A 71 -3.617 22.324 -6.895 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.466 20.048 -8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.850 21.659 -9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.813 22.995 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.985 22.177 -10.320 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.777 20.634 -10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.137 23.502 -12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.534 23.559 -13.223 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.340 22.461 -7.441 1.00 0.00 N ATOM 1154 CA GLU A 72 1.119 22.737 -7.351 1.00 0.00 C ATOM 1155 C GLU A 72 1.804 21.762 -6.382 1.00 0.00 C ATOM 1156 O GLU A 72 2.888 21.270 -6.647 1.00 0.00 O ATOM 1157 CB GLU A 72 1.311 24.184 -6.893 1.00 0.00 C ATOM 1158 CG GLU A 72 0.887 25.130 -8.016 1.00 0.00 C ATOM 1159 CD GLU A 72 0.972 26.576 -7.526 1.00 0.00 C ATOM 1160 OE1 GLU A 72 2.027 27.170 -7.673 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -0.022 27.069 -7.017 1.00 0.00 O ATOM 0 H GLU A 72 -0.946 23.218 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 72 1.579 22.596 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.719 24.376 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.354 24.359 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.530 24.991 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.131 24.902 -8.333 1.00 0.00 H new ATOM 1168 N PHE A 73 1.184 21.449 -5.279 1.00 0.00 N ATOM 1169 CA PHE A 73 1.826 20.487 -4.334 1.00 0.00 C ATOM 1170 C PHE A 73 1.822 19.093 -4.958 1.00 0.00 C ATOM 1171 O PHE A 73 2.704 18.291 -4.729 1.00 0.00 O ATOM 1172 CB PHE A 73 1.066 20.437 -3.006 1.00 0.00 C ATOM 1173 CG PHE A 73 1.687 19.358 -2.144 1.00 0.00 C ATOM 1174 CD1 PHE A 73 2.977 19.529 -1.637 1.00 0.00 C ATOM 1175 CD2 PHE A 73 0.983 18.177 -1.875 1.00 0.00 C ATOM 1176 CE1 PHE A 73 3.565 18.525 -0.860 1.00 0.00 C ATOM 1177 CE2 PHE A 73 1.570 17.173 -1.094 1.00 0.00 C ATOM 1178 CZ PHE A 73 2.863 17.349 -0.588 1.00 0.00 C ATOM 0 H PHE A 73 0.274 21.810 -4.992 1.00 0.00 H new ATOM 0 HA PHE A 73 2.847 20.818 -4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.118 21.402 -2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.011 20.224 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.522 20.438 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.013 18.041 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.563 18.660 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.026 16.265 -0.883 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.318 16.575 0.013 1.00 0.00 H new ATOM 1188 N MET A 74 0.816 18.802 -5.723 1.00 0.00 N ATOM 1189 CA MET A 74 0.709 17.465 -6.361 1.00 0.00 C ATOM 1190 C MET A 74 1.912 17.211 -7.268 1.00 0.00 C ATOM 1191 O MET A 74 2.411 16.104 -7.363 1.00 0.00 O ATOM 1192 CB MET A 74 -0.593 17.394 -7.167 1.00 0.00 C ATOM 1193 CG MET A 74 -1.768 17.128 -6.217 1.00 0.00 C ATOM 1194 SD MET A 74 -1.668 15.432 -5.588 1.00 0.00 S ATOM 1195 CE MET A 74 -1.947 14.576 -7.157 1.00 0.00 C ATOM 0 H MET A 74 0.051 19.442 -5.938 1.00 0.00 H new ATOM 0 HA MET A 74 0.698 16.696 -5.589 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.751 18.328 -7.706 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.529 16.602 -7.914 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.746 17.836 -5.388 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.713 17.278 -6.740 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.393 13.600 -6.965 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.620 15.166 -7.779 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.996 14.445 -7.674 1.00 0.00 H new ATOM 1205 N ALA A 75 2.370 18.208 -7.962 1.00 0.00 N ATOM 1206 CA ALA A 75 3.521 17.983 -8.871 1.00 0.00 C ATOM 1207 C ALA A 75 4.778 17.669 -8.061 1.00 0.00 C ATOM 1208 O ALA A 75 5.611 16.885 -8.470 1.00 0.00 O ATOM 1209 CB ALA A 75 3.744 19.224 -9.742 1.00 0.00 C ATOM 0 H ALA A 75 2.003 19.159 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 75 3.304 17.132 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.590 19.054 -10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.850 19.418 -10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.951 20.084 -9.104 1.00 0.00 H new ATOM 1215 N PHE A 76 4.917 18.268 -6.918 1.00 0.00 N ATOM 1216 CA PHE A 76 6.120 18.007 -6.070 1.00 0.00 C ATOM 1217 C PHE A 76 6.189 16.533 -5.699 1.00 0.00 C ATOM 1218 O PHE A 76 7.237 15.997 -5.405 1.00 0.00 O ATOM 1219 CB PHE A 76 6.009 18.831 -4.791 1.00 0.00 C ATOM 1220 CG PHE A 76 7.223 18.597 -3.924 1.00 0.00 C ATOM 1221 CD1 PHE A 76 8.480 19.029 -4.359 1.00 0.00 C ATOM 1222 CD2 PHE A 76 7.093 17.960 -2.680 1.00 0.00 C ATOM 1223 CE1 PHE A 76 9.608 18.826 -3.551 1.00 0.00 C ATOM 1224 CE2 PHE A 76 8.220 17.757 -1.875 1.00 0.00 C ATOM 1225 CZ PHE A 76 9.477 18.190 -2.310 1.00 0.00 C ATOM 0 H PHE A 76 4.249 18.932 -6.527 1.00 0.00 H new ATOM 0 HA PHE A 76 7.017 18.281 -6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.924 19.890 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.105 18.556 -4.248 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.582 19.518 -5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.123 17.626 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.579 19.160 -3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.119 17.266 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.347 18.034 -1.689 1.00 0.00 H new ATOM 1235 N VAL A 77 5.076 15.885 -5.674 1.00 0.00 N ATOM 1236 CA VAL A 77 5.061 14.449 -5.294 1.00 0.00 C ATOM 1237 C VAL A 77 5.551 13.610 -6.464 1.00 0.00 C ATOM 1238 O VAL A 77 6.145 12.568 -6.289 1.00 0.00 O ATOM 1239 CB VAL A 77 3.634 14.033 -4.926 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.677 12.858 -3.946 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.925 15.228 -4.294 1.00 0.00 C ATOM 0 H VAL A 77 4.165 16.284 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 77 5.716 14.292 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 77 3.091 13.719 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.660 12.564 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.191 12.016 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.211 13.156 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.906 14.947 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.463 15.538 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.898 16.053 -5.006 1.00 0.00 H new ATOM 1251 N SER A 78 5.285 14.039 -7.658 1.00 0.00 N ATOM 1252 CA SER A 78 5.726 13.236 -8.822 1.00 0.00 C ATOM 1253 C SER A 78 7.250 13.245 -8.913 1.00 0.00 C ATOM 1254 O SER A 78 7.864 12.238 -9.203 1.00 0.00 O ATOM 1255 CB SER A 78 5.130 13.806 -10.108 1.00 0.00 C ATOM 1256 OG SER A 78 5.303 15.216 -10.129 1.00 0.00 O ATOM 0 H SER A 78 4.787 14.901 -7.878 1.00 0.00 H new ATOM 0 HA SER A 78 5.380 12.210 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.614 13.357 -10.975 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.070 13.558 -10.171 1.00 0.00 H new ATOM 0 HG SER A 78 5.752 15.503 -9.307 1.00 0.00 H new ATOM 1262 N MET A 79 7.874 14.370 -8.678 1.00 0.00 N ATOM 1263 CA MET A 79 9.359 14.409 -8.772 1.00 0.00 C ATOM 1264 C MET A 79 10.004 13.698 -7.573 1.00 0.00 C ATOM 1265 O MET A 79 10.964 12.964 -7.725 1.00 0.00 O ATOM 1266 CB MET A 79 9.821 15.870 -8.837 1.00 0.00 C ATOM 1267 CG MET A 79 9.338 16.618 -7.597 1.00 0.00 C ATOM 1268 SD MET A 79 9.538 18.400 -7.839 1.00 0.00 S ATOM 1269 CE MET A 79 11.341 18.414 -7.947 1.00 0.00 C ATOM 0 H MET A 79 7.425 15.251 -8.428 1.00 0.00 H new ATOM 0 HA MET A 79 9.671 13.886 -9.676 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.908 15.915 -8.900 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.429 16.346 -9.736 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.291 16.383 -7.404 1.00 0.00 H new ATOM 0 HG3 MET A 79 9.903 16.295 -6.723 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.711 19.415 -7.726 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.754 17.707 -7.227 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.647 18.128 -8.953 1.00 0.00 H new ATOM 1279 N VAL A 80 9.500 13.899 -6.384 1.00 0.00 N ATOM 1280 CA VAL A 80 10.119 13.226 -5.200 1.00 0.00 C ATOM 1281 C VAL A 80 10.054 11.719 -5.384 1.00 0.00 C ATOM 1282 O VAL A 80 10.962 10.996 -5.025 1.00 0.00 O ATOM 1283 CB VAL A 80 9.401 13.609 -3.905 1.00 0.00 C ATOM 1284 CG1 VAL A 80 10.036 12.835 -2.743 1.00 0.00 C ATOM 1285 CG2 VAL A 80 9.546 15.116 -3.655 1.00 0.00 C ATOM 0 H VAL A 80 8.696 14.493 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 80 11.156 13.552 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 80 8.342 13.363 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.533 13.099 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.934 11.764 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.093 13.091 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.033 15.383 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.602 15.371 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.106 15.667 -4.487 1.00 0.00 H new ATOM 1295 N THR A 81 8.988 11.237 -5.939 1.00 0.00 N ATOM 1296 CA THR A 81 8.870 9.778 -6.143 1.00 0.00 C ATOM 1297 C THR A 81 10.018 9.322 -7.018 1.00 0.00 C ATOM 1298 O THR A 81 10.606 8.283 -6.804 1.00 0.00 O ATOM 1299 CB THR A 81 7.561 9.463 -6.851 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.478 9.892 -6.045 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.475 7.957 -7.117 1.00 0.00 C ATOM 0 H THR A 81 8.193 11.790 -6.260 1.00 0.00 H new ATOM 0 HA THR A 81 8.894 9.269 -5.180 1.00 0.00 H new ATOM 0 HB THR A 81 7.517 9.988 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.395 10.867 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.537 7.730 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.311 7.650 -7.745 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.515 7.418 -6.171 1.00 0.00 H new ATOM 1309 N THR A 82 10.349 10.105 -7.999 1.00 0.00 N ATOM 1310 CA THR A 82 11.464 9.738 -8.903 1.00 0.00 C ATOM 1311 C THR A 82 12.667 9.329 -8.042 1.00 0.00 C ATOM 1312 O THR A 82 13.359 8.365 -8.323 1.00 0.00 O ATOM 1313 CB THR A 82 11.816 10.962 -9.761 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.623 11.669 -10.079 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.490 10.508 -11.051 1.00 0.00 C ATOM 0 H THR A 82 9.891 10.990 -8.215 1.00 0.00 H new ATOM 0 HA THR A 82 11.187 8.910 -9.555 1.00 0.00 H new ATOM 0 HB THR A 82 12.495 11.610 -9.207 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.818 12.355 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.739 11.379 -11.658 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.402 9.960 -10.812 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.812 9.860 -11.607 1.00 0.00 H new ATOM 1323 N ALA A 83 12.891 10.040 -6.973 1.00 0.00 N ATOM 1324 CA ALA A 83 14.015 9.686 -6.065 1.00 0.00 C ATOM 1325 C ALA A 83 13.720 8.316 -5.444 1.00 0.00 C ATOM 1326 O ALA A 83 14.609 7.523 -5.205 1.00 0.00 O ATOM 1327 CB ALA A 83 14.146 10.754 -4.970 1.00 0.00 C ATOM 0 H ALA A 83 12.343 10.852 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 83 14.953 9.643 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.970 10.494 -4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.342 11.723 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.220 10.804 -4.398 1.00 0.00 H new ATOM 1333 N CYS A 84 12.467 8.033 -5.190 1.00 0.00 N ATOM 1334 CA CYS A 84 12.088 6.718 -4.597 1.00 0.00 C ATOM 1335 C CYS A 84 12.526 5.584 -5.528 1.00 0.00 C ATOM 1336 O CYS A 84 12.957 4.540 -5.080 1.00 0.00 O ATOM 1337 CB CYS A 84 10.569 6.657 -4.408 1.00 0.00 C ATOM 1338 SG CYS A 84 10.162 5.311 -3.267 1.00 0.00 S ATOM 0 H CYS A 84 11.685 8.663 -5.370 1.00 0.00 H new ATOM 0 HA CYS A 84 12.582 6.607 -3.632 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.201 7.605 -4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.078 6.497 -5.368 1.00 0.00 H new ATOM 0 HG CYS A 84 8.874 5.257 -3.102 1.00 0.00 H new ATOM 1344 N HIS A 85 12.412 5.769 -6.818 1.00 0.00 N ATOM 1345 CA HIS A 85 12.820 4.685 -7.754 1.00 0.00 C ATOM 1346 C HIS A 85 14.300 4.382 -7.534 1.00 0.00 C ATOM 1347 O HIS A 85 14.715 3.239 -7.527 1.00 0.00 O ATOM 1348 CB HIS A 85 12.588 5.129 -9.197 1.00 0.00 C ATOM 1349 CG HIS A 85 12.950 4.006 -10.133 1.00 0.00 C ATOM 1350 ND1 HIS A 85 12.887 2.670 -9.754 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.393 4.006 -11.430 1.00 0.00 C ATOM 1352 CE1 HIS A 85 13.294 1.931 -10.804 1.00 0.00 C ATOM 1353 NE2 HIS A 85 13.612 2.698 -11.847 1.00 0.00 N ATOM 0 H HIS A 85 12.057 6.617 -7.259 1.00 0.00 H new ATOM 0 HA HIS A 85 12.227 3.790 -7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.545 5.412 -9.338 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.190 6.010 -9.419 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.548 4.887 -12.035 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.355 0.853 -10.801 1.00 0.00 H new ATOM 0 HE2 HIS A 85 13.946 2.390 -12.760 1.00 0.00 H new ATOM 1362 N GLU A 86 15.101 5.393 -7.334 1.00 0.00 N ATOM 1363 CA GLU A 86 16.550 5.147 -7.090 1.00 0.00 C ATOM 1364 C GLU A 86 16.681 4.284 -5.836 1.00 0.00 C ATOM 1365 O GLU A 86 17.508 3.397 -5.758 1.00 0.00 O ATOM 1366 CB GLU A 86 17.279 6.479 -6.879 1.00 0.00 C ATOM 1367 CG GLU A 86 17.317 7.258 -8.194 1.00 0.00 C ATOM 1368 CD GLU A 86 17.990 8.611 -7.965 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.397 8.866 -6.844 1.00 0.00 O ATOM 1370 OE2 GLU A 86 18.083 9.371 -8.914 1.00 0.00 O ATOM 0 H GLU A 86 14.817 6.373 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 86 16.994 4.641 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.772 7.065 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.293 6.297 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.862 6.692 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.305 7.402 -8.573 1.00 0.00 H new ATOM 1377 N PHE A 87 15.871 4.556 -4.846 1.00 0.00 N ATOM 1378 CA PHE A 87 15.929 3.771 -3.579 1.00 0.00 C ATOM 1379 C PHE A 87 15.102 2.493 -3.711 1.00 0.00 C ATOM 1380 O PHE A 87 15.334 1.521 -3.022 1.00 0.00 O ATOM 1381 CB PHE A 87 15.356 4.612 -2.440 1.00 0.00 C ATOM 1382 CG PHE A 87 15.533 3.869 -1.139 1.00 0.00 C ATOM 1383 CD1 PHE A 87 16.699 4.047 -0.384 1.00 0.00 C ATOM 1384 CD2 PHE A 87 14.533 3.000 -0.690 1.00 0.00 C ATOM 1385 CE1 PHE A 87 16.862 3.354 0.823 1.00 0.00 C ATOM 1386 CE2 PHE A 87 14.698 2.306 0.517 1.00 0.00 C ATOM 1387 CZ PHE A 87 15.861 2.484 1.272 1.00 0.00 C ATOM 0 H PHE A 87 15.167 5.294 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 87 16.967 3.510 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.862 5.576 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 87 14.300 4.814 -2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 87 17.471 4.717 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 87 13.634 2.864 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 87 17.760 3.491 1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 87 13.927 1.634 0.863 1.00 0.00 H new ATOM 0 HZ PHE A 87 15.987 1.950 2.202 1.00 0.00 H new ATOM 1397 N PHE A 88 14.137 2.482 -4.586 1.00 0.00 N ATOM 1398 CA PHE A 88 13.299 1.267 -4.745 1.00 0.00 C ATOM 1399 C PHE A 88 14.206 0.113 -5.153 1.00 0.00 C ATOM 1400 O PHE A 88 14.039 -1.009 -4.717 1.00 0.00 O ATOM 1401 CB PHE A 88 12.248 1.495 -5.830 1.00 0.00 C ATOM 1402 CG PHE A 88 11.364 0.276 -5.931 1.00 0.00 C ATOM 1403 CD1 PHE A 88 11.738 -0.785 -6.761 1.00 0.00 C ATOM 1404 CD2 PHE A 88 10.169 0.209 -5.201 1.00 0.00 C ATOM 1405 CE1 PHE A 88 10.922 -1.916 -6.863 1.00 0.00 C ATOM 1406 CE2 PHE A 88 9.353 -0.922 -5.302 1.00 0.00 C ATOM 1407 CZ PHE A 88 9.730 -1.985 -6.134 1.00 0.00 C ATOM 0 H PHE A 88 13.894 3.262 -5.197 1.00 0.00 H new ATOM 0 HA PHE A 88 12.791 1.041 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.649 2.374 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.732 1.688 -6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.658 -0.731 -7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.879 1.030 -4.562 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.212 -2.735 -7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.433 -0.976 -4.739 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.100 -2.858 -6.212 1.00 0.00 H new ATOM 1464 N MET B 0 -3.329 9.017 5.430 1.00 0.00 N ATOM 1465 CA MET B 0 -2.539 8.938 6.688 1.00 0.00 C ATOM 1466 C MET B 0 -1.087 8.604 6.361 1.00 0.00 C ATOM 1467 O MET B 0 -0.630 7.505 6.603 1.00 0.00 O ATOM 1468 CB MET B 0 -3.113 7.837 7.572 1.00 0.00 C ATOM 1469 CG MET B 0 -4.476 8.273 8.099 1.00 0.00 C ATOM 1470 SD MET B 0 -5.153 6.965 9.150 1.00 0.00 S ATOM 1471 CE MET B 0 -6.620 7.865 9.707 1.00 0.00 C ATOM 0 H1 MET B 0 -4.157 9.629 5.578 1.00 0.00 H new ATOM 0 H2 MET B 0 -2.736 9.412 4.672 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.647 8.065 5.159 1.00 0.00 H new ATOM 0 HA MET B 0 -2.587 9.896 7.206 1.00 0.00 H new ATOM 0 HB2 MET B 0 -3.209 6.912 7.004 1.00 0.00 H new ATOM 0 HB3 MET B 0 -2.438 7.633 8.403 1.00 0.00 H new ATOM 0 HG2 MET B 0 -4.381 9.199 8.666 1.00 0.00 H new ATOM 0 HG3 MET B 0 -5.153 8.476 7.269 1.00 0.00 H new ATOM 0 HE1 MET B 0 -7.199 7.234 10.381 1.00 0.00 H new ATOM 0 HE2 MET B 0 -6.314 8.771 10.230 1.00 0.00 H new ATOM 0 HE3 MET B 0 -7.232 8.133 8.845 1.00 0.00 H new ATOM 1483 N SER B 1 -0.360 9.533 5.807 1.00 0.00 N ATOM 1484 CA SER B 1 1.063 9.254 5.469 1.00 0.00 C ATOM 1485 C SER B 1 1.120 8.050 4.525 1.00 0.00 C ATOM 1486 O SER B 1 2.089 7.319 4.477 1.00 0.00 O ATOM 1487 CB SER B 1 1.842 8.957 6.754 1.00 0.00 C ATOM 1488 OG SER B 1 1.544 9.956 7.722 1.00 0.00 O ATOM 0 H SER B 1 -0.688 10.470 5.574 1.00 0.00 H new ATOM 0 HA SER B 1 1.510 10.119 4.979 1.00 0.00 H new ATOM 0 HB2 SER B 1 1.575 7.972 7.136 1.00 0.00 H new ATOM 0 HB3 SER B 1 2.912 8.940 6.549 1.00 0.00 H new ATOM 0 HG SER B 1 2.039 9.770 8.547 1.00 0.00 H new ATOM 1494 N GLU B 2 0.071 7.847 3.781 1.00 0.00 N ATOM 1495 CA GLU B 2 0.010 6.704 2.829 1.00 0.00 C ATOM 1496 C GLU B 2 0.832 6.999 1.577 1.00 0.00 C ATOM 1497 O GLU B 2 1.092 6.124 0.783 1.00 0.00 O ATOM 1498 CB GLU B 2 -1.444 6.464 2.442 1.00 0.00 C ATOM 1499 CG GLU B 2 -2.199 5.989 3.679 1.00 0.00 C ATOM 1500 CD GLU B 2 -3.665 5.733 3.326 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -4.062 6.098 2.234 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -4.364 5.174 4.156 1.00 0.00 O ATOM 0 H GLU B 2 -0.762 8.435 3.792 1.00 0.00 H new ATOM 0 HA GLU B 2 0.424 5.817 3.309 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.889 7.380 2.054 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -1.507 5.718 1.649 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -1.744 5.077 4.066 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -2.131 6.738 4.468 1.00 0.00 H new ATOM 1509 N LEU B 3 1.233 8.219 1.377 1.00 0.00 N ATOM 1510 CA LEU B 3 2.017 8.541 0.155 1.00 0.00 C ATOM 1511 C LEU B 3 3.130 7.513 -0.051 1.00 0.00 C ATOM 1512 O LEU B 3 3.671 7.400 -1.115 1.00 0.00 O ATOM 1513 CB LEU B 3 2.611 9.950 0.274 1.00 0.00 C ATOM 1514 CG LEU B 3 3.792 9.968 1.256 1.00 0.00 C ATOM 1515 CD1 LEU B 3 4.355 11.386 1.339 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.318 9.516 2.643 1.00 0.00 C ATOM 0 H LEU B 3 1.054 9.005 2.002 1.00 0.00 H new ATOM 0 HA LEU B 3 1.353 8.507 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.943 10.293 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.842 10.645 0.611 1.00 0.00 H new ATOM 0 HG LEU B 3 4.569 9.288 0.907 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.194 11.404 2.035 1.00 0.00 H new ATOM 0 HD12 LEU B 3 4.695 11.701 0.352 1.00 0.00 H new ATOM 0 HD13 LEU B 3 3.578 12.066 1.689 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.158 9.530 3.337 1.00 0.00 H new ATOM 0 HD22 LEU B 3 2.541 10.192 3.000 1.00 0.00 H new ATOM 0 HD23 LEU B 3 2.917 8.504 2.579 1.00 0.00 H new ATOM 1528 N GLU B 4 3.491 6.774 0.952 1.00 0.00 N ATOM 1529 CA GLU B 4 4.583 5.775 0.761 1.00 0.00 C ATOM 1530 C GLU B 4 4.123 4.705 -0.232 1.00 0.00 C ATOM 1531 O GLU B 4 4.883 4.250 -1.067 1.00 0.00 O ATOM 1532 CB GLU B 4 4.932 5.123 2.106 1.00 0.00 C ATOM 1533 CG GLU B 4 5.631 6.147 3.009 1.00 0.00 C ATOM 1534 CD GLU B 4 5.981 5.499 4.352 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.520 4.396 4.594 1.00 0.00 O ATOM 1536 OE2 GLU B 4 6.706 6.118 5.114 1.00 0.00 O ATOM 0 H GLU B 4 3.087 6.812 1.888 1.00 0.00 H new ATOM 0 HA GLU B 4 5.469 6.275 0.370 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.027 4.755 2.589 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.580 4.261 1.946 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.536 6.515 2.525 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.982 7.008 3.168 1.00 0.00 H new ATOM 1543 N LYS B 5 2.889 4.300 -0.147 1.00 0.00 N ATOM 1544 CA LYS B 5 2.377 3.257 -1.084 1.00 0.00 C ATOM 1545 C LYS B 5 2.101 3.894 -2.445 1.00 0.00 C ATOM 1546 O LYS B 5 2.296 3.292 -3.478 1.00 0.00 O ATOM 1547 CB LYS B 5 1.091 2.639 -0.499 1.00 0.00 C ATOM 1548 CG LYS B 5 -0.128 3.533 -0.781 1.00 0.00 C ATOM 1549 CD LYS B 5 -1.322 3.061 0.053 1.00 0.00 C ATOM 1550 CE LYS B 5 -2.582 3.787 -0.413 1.00 0.00 C ATOM 1551 NZ LYS B 5 -2.805 3.500 -1.858 1.00 0.00 N ATOM 0 H LYS B 5 2.209 4.645 0.531 1.00 0.00 H new ATOM 0 HA LYS B 5 3.118 2.468 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.929 1.651 -0.930 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.205 2.503 0.576 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.107 4.570 -0.542 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -0.378 3.499 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.450 1.984 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.144 3.260 1.110 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.442 3.461 0.172 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.478 4.860 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.809 3.642 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.223 4.142 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -2.538 2.516 -2.062 1.00 0.00 H new ATOM 1565 N ALA B 6 1.623 5.102 -2.441 1.00 0.00 N ATOM 1566 CA ALA B 6 1.303 5.787 -3.719 1.00 0.00 C ATOM 1567 C ALA B 6 2.568 6.011 -4.544 1.00 0.00 C ATOM 1568 O ALA B 6 2.594 5.747 -5.723 1.00 0.00 O ATOM 1569 CB ALA B 6 0.630 7.131 -3.401 1.00 0.00 C ATOM 0 H ALA B 6 1.439 5.649 -1.600 1.00 0.00 H new ATOM 0 HA ALA B 6 0.629 5.163 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.389 7.646 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.285 6.955 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.308 7.747 -2.810 1.00 0.00 H new ATOM 1575 N MET B 7 3.606 6.500 -3.938 1.00 0.00 N ATOM 1576 CA MET B 7 4.863 6.754 -4.692 1.00 0.00 C ATOM 1577 C MET B 7 5.392 5.447 -5.276 1.00 0.00 C ATOM 1578 O MET B 7 5.858 5.393 -6.398 1.00 0.00 O ATOM 1579 CB MET B 7 5.921 7.340 -3.748 1.00 0.00 C ATOM 1580 CG MET B 7 5.545 8.765 -3.338 1.00 0.00 C ATOM 1581 SD MET B 7 6.956 9.519 -2.485 1.00 0.00 S ATOM 1582 CE MET B 7 6.469 11.243 -2.725 1.00 0.00 C ATOM 0 H MET B 7 3.641 6.737 -2.947 1.00 0.00 H new ATOM 0 HA MET B 7 4.654 7.457 -5.498 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.013 6.713 -2.861 1.00 0.00 H new ATOM 0 HB3 MET B 7 6.894 7.342 -4.239 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.277 9.352 -4.216 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.672 8.752 -2.685 1.00 0.00 H new ATOM 0 HE1 MET B 7 7.229 11.898 -2.300 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.368 11.448 -3.791 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.516 11.424 -2.229 1.00 0.00 H new ATOM 1592 N VAL B 8 5.319 4.396 -4.519 1.00 0.00 N ATOM 1593 CA VAL B 8 5.818 3.076 -5.010 1.00 0.00 C ATOM 1594 C VAL B 8 5.002 2.643 -6.225 1.00 0.00 C ATOM 1595 O VAL B 8 5.507 2.058 -7.163 1.00 0.00 O ATOM 1596 CB VAL B 8 5.677 2.032 -3.894 1.00 0.00 C ATOM 1597 CG1 VAL B 8 5.956 0.623 -4.450 1.00 0.00 C ATOM 1598 CG2 VAL B 8 6.671 2.358 -2.770 1.00 0.00 C ATOM 0 H VAL B 8 4.934 4.388 -3.575 1.00 0.00 H new ATOM 0 HA VAL B 8 6.867 3.164 -5.294 1.00 0.00 H new ATOM 0 HB VAL B 8 4.661 2.057 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL B 8 5.853 -0.111 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL B 8 5.243 0.397 -5.243 1.00 0.00 H new ATOM 0 HG13 VAL B 8 6.969 0.584 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL B 8 6.575 1.619 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL B 8 7.687 2.336 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL B 8 6.458 3.350 -2.372 1.00 0.00 H new ATOM 1608 N ALA B 9 3.734 2.900 -6.186 1.00 0.00 N ATOM 1609 CA ALA B 9 2.834 2.488 -7.298 1.00 0.00 C ATOM 1610 C ALA B 9 3.118 3.273 -8.577 1.00 0.00 C ATOM 1611 O ALA B 9 3.015 2.742 -9.663 1.00 0.00 O ATOM 1612 CB ALA B 9 1.397 2.747 -6.886 1.00 0.00 C ATOM 0 H ALA B 9 3.270 3.387 -5.419 1.00 0.00 H new ATOM 0 HA ALA B 9 3.006 1.430 -7.497 1.00 0.00 H new ATOM 0 HB1 ALA B 9 0.728 2.449 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.165 2.170 -5.991 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.264 3.809 -6.678 1.00 0.00 H new ATOM 1618 N LEU B 10 3.446 4.535 -8.480 1.00 0.00 N ATOM 1619 CA LEU B 10 3.686 5.304 -9.733 1.00 0.00 C ATOM 1620 C LEU B 10 4.831 4.630 -10.475 1.00 0.00 C ATOM 1621 O LEU B 10 4.827 4.503 -11.683 1.00 0.00 O ATOM 1622 CB LEU B 10 4.129 6.739 -9.418 1.00 0.00 C ATOM 1623 CG LEU B 10 3.092 7.469 -8.559 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.576 8.902 -8.310 1.00 0.00 C ATOM 1625 CD2 LEU B 10 1.732 7.493 -9.269 1.00 0.00 C ATOM 0 H LEU B 10 3.556 5.055 -7.609 1.00 0.00 H new ATOM 0 HA LEU B 10 2.766 5.329 -10.317 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.086 6.720 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.283 7.286 -10.348 1.00 0.00 H new ATOM 0 HG LEU B 10 2.975 6.947 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.845 9.432 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.534 8.877 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.694 9.417 -9.263 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.006 8.015 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.829 8.010 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.394 6.471 -9.442 1.00 0.00 H new ATOM 1637 N ILE B 11 5.814 4.206 -9.738 1.00 0.00 N ATOM 1638 CA ILE B 11 6.994 3.539 -10.347 1.00 0.00 C ATOM 1639 C ILE B 11 6.617 2.178 -10.947 1.00 0.00 C ATOM 1640 O ILE B 11 7.102 1.804 -11.997 1.00 0.00 O ATOM 1641 CB ILE B 11 8.052 3.346 -9.246 1.00 0.00 C ATOM 1642 CG1 ILE B 11 8.627 4.712 -8.858 1.00 0.00 C ATOM 1643 CG2 ILE B 11 9.182 2.444 -9.749 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.401 4.613 -7.541 1.00 0.00 C ATOM 0 H ILE B 11 5.851 4.295 -8.723 1.00 0.00 H new ATOM 0 HA ILE B 11 7.382 4.159 -11.155 1.00 0.00 H new ATOM 0 HB ILE B 11 7.585 2.877 -8.380 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.286 5.073 -9.648 1.00 0.00 H new ATOM 0 HG13 ILE B 11 7.820 5.438 -8.759 1.00 0.00 H new ATOM 0 HG21 ILE B 11 9.924 2.316 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE B 11 8.775 1.471 -10.026 1.00 0.00 H new ATOM 0 HG23 ILE B 11 9.653 2.902 -10.619 1.00 0.00 H new ATOM 0 HD11 ILE B 11 9.803 5.592 -7.280 1.00 0.00 H new ATOM 0 HD12 ILE B 11 8.732 4.273 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.220 3.903 -7.653 1.00 0.00 H new ATOM 1656 N ASP B 12 5.782 1.425 -10.286 1.00 0.00 N ATOM 1657 CA ASP B 12 5.417 0.079 -10.821 1.00 0.00 C ATOM 1658 C ASP B 12 4.740 0.195 -12.189 1.00 0.00 C ATOM 1659 O ASP B 12 5.109 -0.475 -13.127 1.00 0.00 O ATOM 1660 CB ASP B 12 4.461 -0.597 -9.838 1.00 0.00 C ATOM 1661 CG ASP B 12 4.076 -1.979 -10.366 1.00 0.00 C ATOM 1662 OD1 ASP B 12 3.319 -2.035 -11.323 1.00 0.00 O ATOM 1663 OD2 ASP B 12 4.539 -2.957 -9.805 1.00 0.00 O ATOM 0 H ASP B 12 5.338 1.679 -9.404 1.00 0.00 H new ATOM 0 HA ASP B 12 6.326 -0.511 -10.940 1.00 0.00 H new ATOM 0 HB2 ASP B 12 4.934 -0.689 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.568 0.014 -9.704 1.00 0.00 H new ATOM 1668 N VAL B 13 3.750 1.036 -12.299 1.00 0.00 N ATOM 1669 CA VAL B 13 3.016 1.201 -13.593 1.00 0.00 C ATOM 1670 C VAL B 13 3.980 1.696 -14.687 1.00 0.00 C ATOM 1671 O VAL B 13 3.920 1.265 -15.835 1.00 0.00 O ATOM 1672 CB VAL B 13 1.824 2.180 -13.353 1.00 0.00 C ATOM 1673 CG1 VAL B 13 1.897 3.420 -14.254 1.00 0.00 C ATOM 1674 CG2 VAL B 13 0.487 1.466 -13.611 1.00 0.00 C ATOM 0 H VAL B 13 3.411 1.626 -11.539 1.00 0.00 H new ATOM 0 HA VAL B 13 2.615 0.249 -13.942 1.00 0.00 H new ATOM 0 HB VAL B 13 1.891 2.504 -12.314 1.00 0.00 H new ATOM 0 HG11 VAL B 13 1.046 4.069 -14.049 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.822 3.961 -14.055 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.875 3.112 -15.299 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -0.335 2.161 -13.440 1.00 0.00 H new ATOM 0 HG22 VAL B 13 0.456 1.114 -14.642 1.00 0.00 H new ATOM 0 HG23 VAL B 13 0.391 0.617 -12.934 1.00 0.00 H new ATOM 1684 N PHE B 14 4.862 2.595 -14.340 1.00 0.00 N ATOM 1685 CA PHE B 14 5.818 3.130 -15.347 1.00 0.00 C ATOM 1686 C PHE B 14 6.569 1.971 -15.993 1.00 0.00 C ATOM 1687 O PHE B 14 6.806 1.956 -17.182 1.00 0.00 O ATOM 1688 CB PHE B 14 6.818 4.061 -14.646 1.00 0.00 C ATOM 1689 CG PHE B 14 7.799 4.601 -15.662 1.00 0.00 C ATOM 1690 CD1 PHE B 14 7.361 5.492 -16.646 1.00 0.00 C ATOM 1691 CD2 PHE B 14 9.142 4.199 -15.632 1.00 0.00 C ATOM 1692 CE1 PHE B 14 8.261 5.982 -17.595 1.00 0.00 C ATOM 1693 CE2 PHE B 14 10.042 4.687 -16.587 1.00 0.00 C ATOM 1694 CZ PHE B 14 9.599 5.579 -17.568 1.00 0.00 C ATOM 0 H PHE B 14 4.960 2.981 -13.401 1.00 0.00 H new ATOM 0 HA PHE B 14 5.277 3.685 -16.113 1.00 0.00 H new ATOM 0 HB2 PHE B 14 6.289 4.882 -14.162 1.00 0.00 H new ATOM 0 HB3 PHE B 14 7.349 3.519 -13.864 1.00 0.00 H new ATOM 0 HD1 PHE B 14 6.327 5.802 -16.672 1.00 0.00 H new ATOM 0 HD2 PHE B 14 9.483 3.512 -14.871 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.922 6.674 -18.352 1.00 0.00 H new ATOM 0 HE2 PHE B 14 11.076 4.375 -16.566 1.00 0.00 H new ATOM 0 HZ PHE B 14 10.291 5.957 -18.306 1.00 0.00 H new ATOM 1704 N HIS B 15 6.937 0.998 -15.221 1.00 0.00 N ATOM 1705 CA HIS B 15 7.671 -0.168 -15.780 1.00 0.00 C ATOM 1706 C HIS B 15 6.714 -1.142 -16.480 1.00 0.00 C ATOM 1707 O HIS B 15 7.140 -1.954 -17.280 1.00 0.00 O ATOM 1708 CB HIS B 15 8.408 -0.887 -14.647 1.00 0.00 C ATOM 1709 CG HIS B 15 9.601 -0.069 -14.227 1.00 0.00 C ATOM 1710 ND1 HIS B 15 9.479 1.035 -13.397 1.00 0.00 N ATOM 1711 CD2 HIS B 15 10.941 -0.175 -14.518 1.00 0.00 C ATOM 1712 CE1 HIS B 15 10.710 1.548 -13.219 1.00 0.00 C ATOM 1713 NE2 HIS B 15 11.635 0.847 -13.879 1.00 0.00 N ATOM 0 H HIS B 15 6.761 0.956 -14.217 1.00 0.00 H new ATOM 0 HA HIS B 15 8.385 0.192 -16.521 1.00 0.00 H new ATOM 0 HB2 HIS B 15 7.739 -1.035 -13.800 1.00 0.00 H new ATOM 0 HB3 HIS B 15 8.729 -1.875 -14.977 1.00 0.00 H new ATOM 0 HD1 HIS B 15 8.613 1.393 -12.994 1.00 0.00 H new ATOM 0 HD2 HIS B 15 11.385 -0.934 -15.145 1.00 0.00 H new ATOM 0 HE1 HIS B 15 10.923 2.419 -12.617 1.00 0.00 H new ATOM 1722 N GLN B 16 5.437 -1.109 -16.175 1.00 0.00 N ATOM 1723 CA GLN B 16 4.509 -2.095 -16.813 1.00 0.00 C ATOM 1724 C GLN B 16 4.536 -1.978 -18.337 1.00 0.00 C ATOM 1725 O GLN B 16 4.532 -2.979 -19.023 1.00 0.00 O ATOM 1726 CB GLN B 16 3.067 -1.849 -16.350 1.00 0.00 C ATOM 1727 CG GLN B 16 2.913 -2.235 -14.882 1.00 0.00 C ATOM 1728 CD GLN B 16 3.016 -3.755 -14.725 1.00 0.00 C ATOM 1729 OE1 GLN B 16 2.357 -4.500 -15.423 1.00 0.00 O ATOM 1730 NE2 GLN B 16 3.816 -4.248 -13.822 1.00 0.00 N ATOM 0 H GLN B 16 5.004 -0.454 -15.524 1.00 0.00 H new ATOM 0 HA GLN B 16 4.844 -3.088 -16.515 1.00 0.00 H new ATOM 0 HB2 GLN B 16 2.807 -0.799 -16.487 1.00 0.00 H new ATOM 0 HB3 GLN B 16 2.377 -2.431 -16.961 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.684 -1.747 -14.287 1.00 0.00 H new ATOM 0 HG3 GLN B 16 1.951 -1.887 -14.505 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.370 -3.624 -13.236 1.00 0.00 H new ATOM 0 HE22 GLN B 16 3.888 -5.258 -13.702 1.00 0.00 H new ATOM 1739 N TYR B 17 4.544 -0.783 -18.882 1.00 0.00 N ATOM 1740 CA TYR B 17 4.545 -0.646 -20.387 1.00 0.00 C ATOM 1741 C TYR B 17 5.848 -0.009 -20.891 1.00 0.00 C ATOM 1742 O TYR B 17 6.232 -0.205 -22.029 1.00 0.00 O ATOM 1743 CB TYR B 17 3.356 0.221 -20.812 1.00 0.00 C ATOM 1744 CG TYR B 17 3.523 1.603 -20.246 1.00 0.00 C ATOM 1745 CD1 TYR B 17 3.325 1.812 -18.880 1.00 0.00 C ATOM 1746 CD2 TYR B 17 3.882 2.669 -21.080 1.00 0.00 C ATOM 1747 CE1 TYR B 17 3.488 3.085 -18.335 1.00 0.00 C ATOM 1748 CE2 TYR B 17 4.042 3.950 -20.543 1.00 0.00 C ATOM 1749 CZ TYR B 17 3.846 4.163 -19.167 1.00 0.00 C ATOM 1750 OH TYR B 17 4.013 5.427 -18.634 1.00 0.00 O ATOM 0 H TYR B 17 4.550 0.096 -18.364 1.00 0.00 H new ATOM 0 HA TYR B 17 4.465 -1.642 -20.823 1.00 0.00 H new ATOM 0 HB2 TYR B 17 3.294 0.266 -21.899 1.00 0.00 H new ATOM 0 HB3 TYR B 17 2.424 -0.220 -20.457 1.00 0.00 H new ATOM 0 HD1 TYR B 17 3.045 0.986 -18.244 1.00 0.00 H new ATOM 0 HD2 TYR B 17 4.035 2.502 -22.136 1.00 0.00 H new ATOM 0 HE1 TYR B 17 3.340 3.244 -17.277 1.00 0.00 H new ATOM 0 HE2 TYR B 17 4.316 4.775 -21.184 1.00 0.00 H new ATOM 0 HH TYR B 17 3.771 5.416 -17.685 1.00 0.00 H new ATOM 1760 N SER B 18 6.527 0.760 -20.082 1.00 0.00 N ATOM 1761 CA SER B 18 7.787 1.399 -20.570 1.00 0.00 C ATOM 1762 C SER B 18 8.808 0.324 -20.961 1.00 0.00 C ATOM 1763 O SER B 18 9.496 0.441 -21.953 1.00 0.00 O ATOM 1764 CB SER B 18 8.384 2.276 -19.473 1.00 0.00 C ATOM 1765 OG SER B 18 7.439 3.269 -19.098 1.00 0.00 O ATOM 0 H SER B 18 6.270 0.972 -19.118 1.00 0.00 H new ATOM 0 HA SER B 18 7.551 2.010 -21.441 1.00 0.00 H new ATOM 0 HB2 SER B 18 8.650 1.667 -18.609 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.302 2.746 -19.827 1.00 0.00 H new ATOM 0 HG SER B 18 7.072 3.055 -18.215 1.00 0.00 H new ATOM 1771 N GLY B 19 8.925 -0.720 -20.189 1.00 0.00 N ATOM 1772 CA GLY B 19 9.917 -1.777 -20.539 1.00 0.00 C ATOM 1773 C GLY B 19 9.379 -2.641 -21.682 1.00 0.00 C ATOM 1774 O GLY B 19 10.096 -3.440 -22.252 1.00 0.00 O ATOM 0 H GLY B 19 8.384 -0.887 -19.340 1.00 0.00 H new ATOM 0 HA2 GLY B 19 10.861 -1.318 -20.832 1.00 0.00 H new ATOM 0 HA3 GLY B 19 10.121 -2.399 -19.667 1.00 0.00 H new ATOM 1778 N ARG B 20 8.130 -2.485 -22.032 1.00 0.00 N ATOM 1779 CA ARG B 20 7.565 -3.301 -23.147 1.00 0.00 C ATOM 1780 C ARG B 20 8.350 -3.017 -24.431 1.00 0.00 C ATOM 1781 O ARG B 20 8.653 -3.911 -25.197 1.00 0.00 O ATOM 1782 CB ARG B 20 6.099 -2.915 -23.374 1.00 0.00 C ATOM 1783 CG ARG B 20 5.489 -3.807 -24.463 1.00 0.00 C ATOM 1784 CD ARG B 20 4.071 -3.335 -24.766 1.00 0.00 C ATOM 1785 NE ARG B 20 3.469 -4.228 -25.801 1.00 0.00 N ATOM 1786 CZ ARG B 20 2.191 -4.166 -26.051 1.00 0.00 C ATOM 1787 NH1 ARG B 20 1.452 -3.295 -25.428 1.00 0.00 N ATOM 1788 NH2 ARG B 20 1.651 -4.972 -26.929 1.00 0.00 N ATOM 0 H ARG B 20 7.479 -1.831 -21.597 1.00 0.00 H new ATOM 0 HA ARG B 20 7.635 -4.358 -22.890 1.00 0.00 H new ATOM 0 HB2 ARG B 20 5.537 -3.023 -22.446 1.00 0.00 H new ATOM 0 HB3 ARG B 20 6.031 -1.868 -23.668 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.099 -3.767 -25.366 1.00 0.00 H new ATOM 0 HG3 ARG B 20 5.476 -4.846 -24.133 1.00 0.00 H new ATOM 0 HD2 ARG B 20 3.467 -3.351 -23.859 1.00 0.00 H new ATOM 0 HD3 ARG B 20 4.086 -2.305 -25.121 1.00 0.00 H new ATOM 0 HE ARG B 20 4.058 -4.886 -26.312 1.00 0.00 H new ATOM 0 HH11 ARG B 20 1.873 -2.663 -24.747 1.00 0.00 H new ATOM 0 HH12 ARG B 20 0.452 -3.244 -25.621 1.00 0.00 H new ATOM 0 HH21 ARG B 20 2.230 -5.652 -27.421 1.00 0.00 H new ATOM 0 HH22 ARG B 20 0.651 -4.920 -27.121 1.00 0.00 H new ATOM 1802 N GLU B 21 8.659 -1.772 -24.680 1.00 0.00 N ATOM 1803 CA GLU B 21 9.398 -1.419 -25.928 1.00 0.00 C ATOM 1804 C GLU B 21 10.894 -1.696 -25.757 1.00 0.00 C ATOM 1805 O GLU B 21 11.407 -2.688 -26.238 1.00 0.00 O ATOM 1806 CB GLU B 21 9.202 0.075 -26.221 1.00 0.00 C ATOM 1807 CG GLU B 21 9.829 0.438 -27.572 1.00 0.00 C ATOM 1808 CD GLU B 21 9.086 -0.290 -28.693 1.00 0.00 C ATOM 1809 OE1 GLU B 21 7.974 -0.726 -28.449 1.00 0.00 O ATOM 1810 OE2 GLU B 21 9.641 -0.400 -29.774 1.00 0.00 O ATOM 0 H GLU B 21 8.432 -0.984 -24.073 1.00 0.00 H new ATOM 0 HA GLU B 21 9.013 -2.023 -26.750 1.00 0.00 H new ATOM 0 HB2 GLU B 21 8.139 0.315 -26.230 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.657 0.671 -25.429 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.780 1.515 -27.729 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.883 0.162 -27.581 1.00 0.00 H new ATOM 1817 N GLY B 22 11.604 -0.832 -25.084 1.00 0.00 N ATOM 1818 CA GLY B 22 13.062 -1.068 -24.909 1.00 0.00 C ATOM 1819 C GLY B 22 13.660 -0.040 -23.947 1.00 0.00 C ATOM 1820 O GLY B 22 14.534 -0.356 -23.165 1.00 0.00 O ATOM 0 H GLY B 22 11.241 0.018 -24.652 1.00 0.00 H new ATOM 0 HA2 GLY B 22 13.230 -2.074 -24.525 1.00 0.00 H new ATOM 0 HA3 GLY B 22 13.565 -1.007 -25.874 1.00 0.00 H new ATOM 1824 N ASP B 23 13.214 1.189 -23.988 1.00 0.00 N ATOM 1825 CA ASP B 23 13.799 2.198 -23.060 1.00 0.00 C ATOM 1826 C ASP B 23 13.118 2.096 -21.697 1.00 0.00 C ATOM 1827 O ASP B 23 11.985 2.496 -21.520 1.00 0.00 O ATOM 1828 CB ASP B 23 13.607 3.605 -23.629 1.00 0.00 C ATOM 1829 CG ASP B 23 14.601 3.841 -24.772 1.00 0.00 C ATOM 1830 OD1 ASP B 23 15.494 3.025 -24.937 1.00 0.00 O ATOM 1831 OD2 ASP B 23 14.453 4.835 -25.464 1.00 0.00 O ATOM 0 H ASP B 23 12.484 1.532 -24.612 1.00 0.00 H new ATOM 0 HA ASP B 23 14.866 2.003 -22.947 1.00 0.00 H new ATOM 0 HB2 ASP B 23 12.586 3.725 -23.992 1.00 0.00 H new ATOM 0 HB3 ASP B 23 13.756 4.348 -22.845 1.00 0.00 H new ATOM 1836 N LYS B 24 13.813 1.561 -20.733 1.00 0.00 N ATOM 1837 CA LYS B 24 13.235 1.422 -19.369 1.00 0.00 C ATOM 1838 C LYS B 24 13.437 2.724 -18.585 1.00 0.00 C ATOM 1839 O LYS B 24 12.698 3.030 -17.671 1.00 0.00 O ATOM 1840 CB LYS B 24 13.951 0.286 -18.634 1.00 0.00 C ATOM 1841 CG LYS B 24 13.576 -1.060 -19.256 1.00 0.00 C ATOM 1842 CD LYS B 24 14.250 -2.192 -18.470 1.00 0.00 C ATOM 1843 CE LYS B 24 15.770 -2.155 -18.666 1.00 0.00 C ATOM 1844 NZ LYS B 24 16.325 -3.510 -18.400 1.00 0.00 N ATOM 0 H LYS B 24 14.766 1.211 -20.833 1.00 0.00 H new ATOM 0 HA LYS B 24 12.170 1.206 -19.450 1.00 0.00 H new ATOM 0 HB2 LYS B 24 15.030 0.432 -18.686 1.00 0.00 H new ATOM 0 HB3 LYS B 24 13.679 0.296 -17.579 1.00 0.00 H new ATOM 0 HG2 LYS B 24 12.494 -1.189 -19.244 1.00 0.00 H new ATOM 0 HG3 LYS B 24 13.890 -1.091 -20.299 1.00 0.00 H new ATOM 0 HD2 LYS B 24 14.012 -2.098 -17.410 1.00 0.00 H new ATOM 0 HD3 LYS B 24 13.859 -3.154 -18.800 1.00 0.00 H new ATOM 0 HE2 LYS B 24 16.011 -1.842 -19.682 1.00 0.00 H new ATOM 0 HE3 LYS B 24 16.219 -1.425 -17.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 17.357 -3.494 -18.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 16.104 -3.790 -17.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 15.903 -4.194 -19.060 1.00 0.00 H new ATOM 1858 N HIS B 25 14.454 3.487 -18.922 1.00 0.00 N ATOM 1859 CA HIS B 25 14.725 4.762 -18.181 1.00 0.00 C ATOM 1860 C HIS B 25 14.198 5.965 -18.962 1.00 0.00 C ATOM 1861 O HIS B 25 14.284 7.087 -18.506 1.00 0.00 O ATOM 1862 CB HIS B 25 16.232 4.927 -17.994 1.00 0.00 C ATOM 1863 CG HIS B 25 16.899 4.958 -19.339 1.00 0.00 C ATOM 1864 ND1 HIS B 25 16.685 5.984 -20.252 1.00 0.00 N ATOM 1865 CD2 HIS B 25 17.780 4.096 -19.943 1.00 0.00 C ATOM 1866 CE1 HIS B 25 17.424 5.712 -21.345 1.00 0.00 C ATOM 1867 NE2 HIS B 25 18.108 4.577 -21.205 1.00 0.00 N ATOM 0 H HIS B 25 15.107 3.281 -19.678 1.00 0.00 H new ATOM 0 HA HIS B 25 14.221 4.713 -17.216 1.00 0.00 H new ATOM 0 HB2 HIS B 25 16.444 5.847 -17.449 1.00 0.00 H new ATOM 0 HB3 HIS B 25 16.628 4.105 -17.398 1.00 0.00 H new ATOM 0 HD2 HIS B 25 18.160 3.185 -19.505 1.00 0.00 H new ATOM 0 HE1 HIS B 25 17.458 6.336 -22.226 1.00 0.00 H new ATOM 0 HE2 HIS B 25 18.740 4.150 -21.882 1.00 0.00 H new ATOM 1876 N LYS B 26 13.662 5.753 -20.132 1.00 0.00 N ATOM 1877 CA LYS B 26 13.139 6.902 -20.933 1.00 0.00 C ATOM 1878 C LYS B 26 11.837 6.493 -21.610 1.00 0.00 C ATOM 1879 O LYS B 26 11.681 5.382 -22.077 1.00 0.00 O ATOM 1880 CB LYS B 26 14.179 7.310 -21.977 1.00 0.00 C ATOM 1881 CG LYS B 26 13.756 8.627 -22.622 1.00 0.00 C ATOM 1882 CD LYS B 26 14.793 9.048 -23.673 1.00 0.00 C ATOM 1883 CE LYS B 26 16.108 9.466 -22.996 1.00 0.00 C ATOM 1884 NZ LYS B 26 16.880 10.340 -23.923 1.00 0.00 N ATOM 0 H LYS B 26 13.562 4.837 -20.570 1.00 0.00 H new ATOM 0 HA LYS B 26 12.945 7.753 -20.280 1.00 0.00 H new ATOM 0 HB2 LYS B 26 15.158 7.419 -21.509 1.00 0.00 H new ATOM 0 HB3 LYS B 26 14.273 6.534 -22.736 1.00 0.00 H new ATOM 0 HG2 LYS B 26 12.777 8.516 -23.088 1.00 0.00 H new ATOM 0 HG3 LYS B 26 13.661 9.401 -21.861 1.00 0.00 H new ATOM 0 HD2 LYS B 26 14.978 8.223 -24.361 1.00 0.00 H new ATOM 0 HD3 LYS B 26 14.403 9.876 -24.266 1.00 0.00 H new ATOM 0 HE2 LYS B 26 15.900 9.996 -22.066 1.00 0.00 H new ATOM 0 HE3 LYS B 26 16.694 8.584 -22.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 17.771 10.626 -23.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 17.089 9.819 -24.798 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 16.320 11.187 -24.149 1.00 0.00 H new ATOM 1898 N LEU B 27 10.891 7.390 -21.642 1.00 0.00 N ATOM 1899 CA LEU B 27 9.567 7.090 -22.260 1.00 0.00 C ATOM 1900 C LEU B 27 9.467 7.805 -23.608 1.00 0.00 C ATOM 1901 O LEU B 27 9.799 8.964 -23.719 1.00 0.00 O ATOM 1902 CB LEU B 27 8.466 7.611 -21.319 1.00 0.00 C ATOM 1903 CG LEU B 27 7.184 6.783 -21.494 1.00 0.00 C ATOM 1904 CD1 LEU B 27 7.403 5.341 -20.971 1.00 0.00 C ATOM 1905 CD2 LEU B 27 6.034 7.463 -20.733 1.00 0.00 C ATOM 0 H LEU B 27 10.980 8.332 -21.261 1.00 0.00 H new ATOM 0 HA LEU B 27 9.453 6.017 -22.414 1.00 0.00 H new ATOM 0 HB2 LEU B 27 8.805 7.556 -20.285 1.00 0.00 H new ATOM 0 HB3 LEU B 27 8.262 8.660 -21.532 1.00 0.00 H new ATOM 0 HG LEU B 27 6.929 6.726 -22.552 1.00 0.00 H new ATOM 0 HD11 LEU B 27 6.487 4.764 -21.100 1.00 0.00 H new ATOM 0 HD12 LEU B 27 8.211 4.870 -21.531 1.00 0.00 H new ATOM 0 HD13 LEU B 27 7.665 5.373 -19.913 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.122 6.879 -20.854 1.00 0.00 H new ATOM 0 HD22 LEU B 27 6.286 7.527 -19.674 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.878 8.466 -21.130 1.00 0.00 H new ATOM 1917 N LYS B 28 8.996 7.132 -24.627 1.00 0.00 N ATOM 1918 CA LYS B 28 8.862 7.779 -25.962 1.00 0.00 C ATOM 1919 C LYS B 28 7.397 8.148 -26.179 1.00 0.00 C ATOM 1920 O LYS B 28 6.505 7.507 -25.657 1.00 0.00 O ATOM 1921 CB LYS B 28 9.280 6.788 -27.053 1.00 0.00 C ATOM 1922 CG LYS B 28 10.754 6.416 -26.890 1.00 0.00 C ATOM 1923 CD LYS B 28 11.155 5.427 -27.988 1.00 0.00 C ATOM 1924 CE LYS B 28 12.626 5.038 -27.824 1.00 0.00 C ATOM 1925 NZ LYS B 28 13.121 4.417 -29.087 1.00 0.00 N ATOM 0 H LYS B 28 8.698 6.157 -24.589 1.00 0.00 H new ATOM 0 HA LYS B 28 9.493 8.667 -26.006 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.663 5.892 -26.996 1.00 0.00 H new ATOM 0 HB3 LYS B 28 9.115 7.227 -28.037 1.00 0.00 H new ATOM 0 HG2 LYS B 28 11.374 7.310 -26.947 1.00 0.00 H new ATOM 0 HG3 LYS B 28 10.922 5.974 -25.908 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.526 4.538 -27.937 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.995 5.874 -28.969 1.00 0.00 H new ATOM 0 HE2 LYS B 28 13.221 5.919 -27.582 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.738 4.340 -26.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 14.121 4.153 -28.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 12.560 3.567 -29.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 13.028 5.097 -29.868 1.00 0.00 H new ATOM 1939 N LYS B 29 7.133 9.159 -26.961 1.00 0.00 N ATOM 1940 CA LYS B 29 5.720 9.537 -27.228 1.00 0.00 C ATOM 1941 C LYS B 29 4.970 8.271 -27.632 1.00 0.00 C ATOM 1942 O LYS B 29 3.763 8.171 -27.518 1.00 0.00 O ATOM 1943 CB LYS B 29 5.679 10.561 -28.376 1.00 0.00 C ATOM 1944 CG LYS B 29 6.109 9.897 -29.697 1.00 0.00 C ATOM 1945 CD LYS B 29 6.270 10.960 -30.804 1.00 0.00 C ATOM 1946 CE LYS B 29 7.660 11.609 -30.738 1.00 0.00 C ATOM 1947 NZ LYS B 29 8.712 10.553 -30.787 1.00 0.00 N ATOM 0 H LYS B 29 7.834 9.737 -27.425 1.00 0.00 H new ATOM 0 HA LYS B 29 5.261 9.982 -26.345 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.672 10.967 -28.475 1.00 0.00 H new ATOM 0 HB3 LYS B 29 6.339 11.398 -28.150 1.00 0.00 H new ATOM 0 HG2 LYS B 29 7.050 9.365 -29.555 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.367 9.158 -29.999 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.125 10.499 -31.781 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.501 11.725 -30.695 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.788 12.302 -31.570 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.757 12.190 -29.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.515 10.889 -31.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 9.036 10.341 -29.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.319 9.691 -31.217 1.00 0.00 H new ATOM 1961 N SER B 30 5.701 7.304 -28.106 1.00 0.00 N ATOM 1962 CA SER B 30 5.068 6.022 -28.530 1.00 0.00 C ATOM 1963 C SER B 30 4.707 5.184 -27.297 1.00 0.00 C ATOM 1964 O SER B 30 3.615 4.662 -27.195 1.00 0.00 O ATOM 1965 CB SER B 30 6.035 5.245 -29.427 1.00 0.00 C ATOM 1966 OG SER B 30 7.224 4.957 -28.705 1.00 0.00 O ATOM 0 H SER B 30 6.714 7.344 -28.219 1.00 0.00 H new ATOM 0 HA SER B 30 4.157 6.238 -29.088 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.569 4.319 -29.766 1.00 0.00 H new ATOM 0 HB3 SER B 30 6.270 5.828 -30.317 1.00 0.00 H new ATOM 0 HG SER B 30 7.842 4.458 -29.279 1.00 0.00 H new ATOM 1972 N GLU B 31 5.606 5.059 -26.352 1.00 0.00 N ATOM 1973 CA GLU B 31 5.294 4.266 -25.130 1.00 0.00 C ATOM 1974 C GLU B 31 4.232 5.018 -24.328 1.00 0.00 C ATOM 1975 O GLU B 31 3.342 4.435 -23.743 1.00 0.00 O ATOM 1976 CB GLU B 31 6.557 4.098 -24.286 1.00 0.00 C ATOM 1977 CG GLU B 31 7.549 3.185 -25.011 1.00 0.00 C ATOM 1978 CD GLU B 31 8.833 3.078 -24.188 1.00 0.00 C ATOM 1979 OE1 GLU B 31 9.620 4.009 -24.230 1.00 0.00 O ATOM 1980 OE2 GLU B 31 9.004 2.072 -23.526 1.00 0.00 O ATOM 0 H GLU B 31 6.539 5.472 -26.376 1.00 0.00 H new ATOM 0 HA GLU B 31 4.926 3.278 -25.407 1.00 0.00 H new ATOM 0 HB2 GLU B 31 7.013 5.070 -24.100 1.00 0.00 H new ATOM 0 HB3 GLU B 31 6.302 3.674 -23.314 1.00 0.00 H new ATOM 0 HG2 GLU B 31 7.113 2.197 -25.155 1.00 0.00 H new ATOM 0 HG3 GLU B 31 7.770 3.583 -26.001 1.00 0.00 H new ATOM 1987 N LEU B 32 4.321 6.321 -24.317 1.00 0.00 N ATOM 1988 CA LEU B 32 3.323 7.143 -23.577 1.00 0.00 C ATOM 1989 C LEU B 32 1.940 6.852 -24.146 1.00 0.00 C ATOM 1990 O LEU B 32 0.981 6.700 -23.424 1.00 0.00 O ATOM 1991 CB LEU B 32 3.680 8.621 -23.778 1.00 0.00 C ATOM 1992 CG LEU B 32 2.599 9.532 -23.186 1.00 0.00 C ATOM 1993 CD1 LEU B 32 2.424 9.234 -21.691 1.00 0.00 C ATOM 1994 CD2 LEU B 32 3.030 10.990 -23.380 1.00 0.00 C ATOM 0 H LEU B 32 5.049 6.854 -24.793 1.00 0.00 H new ATOM 0 HA LEU B 32 3.328 6.908 -22.513 1.00 0.00 H new ATOM 0 HB2 LEU B 32 4.639 8.835 -23.306 1.00 0.00 H new ATOM 0 HB3 LEU B 32 3.794 8.830 -24.842 1.00 0.00 H new ATOM 0 HG LEU B 32 1.648 9.355 -23.689 1.00 0.00 H new ATOM 0 HD11 LEU B 32 1.654 9.886 -21.278 1.00 0.00 H new ATOM 0 HD12 LEU B 32 2.128 8.193 -21.560 1.00 0.00 H new ATOM 0 HD13 LEU B 32 3.366 9.411 -21.172 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.271 11.652 -22.964 1.00 0.00 H new ATOM 0 HD22 LEU B 32 3.979 11.160 -22.871 1.00 0.00 H new ATOM 0 HD23 LEU B 32 3.148 11.196 -24.444 1.00 0.00 H new ATOM 2006 N LYS B 33 1.839 6.751 -25.435 1.00 0.00 N ATOM 2007 CA LYS B 33 0.525 6.441 -26.067 1.00 0.00 C ATOM 2008 C LYS B 33 0.049 5.063 -25.603 1.00 0.00 C ATOM 2009 O LYS B 33 -1.124 4.847 -25.381 1.00 0.00 O ATOM 2010 CB LYS B 33 0.679 6.450 -27.592 1.00 0.00 C ATOM 2011 CG LYS B 33 -0.679 6.183 -28.248 1.00 0.00 C ATOM 2012 CD LYS B 33 -0.534 6.219 -29.770 1.00 0.00 C ATOM 2013 CE LYS B 33 -1.913 6.069 -30.410 1.00 0.00 C ATOM 2014 NZ LYS B 33 -1.778 6.053 -31.893 1.00 0.00 N ATOM 0 H LYS B 33 2.614 6.870 -26.088 1.00 0.00 H new ATOM 0 HA LYS B 33 -0.209 7.192 -25.774 1.00 0.00 H new ATOM 0 HB2 LYS B 33 1.071 7.412 -27.922 1.00 0.00 H new ATOM 0 HB3 LYS B 33 1.398 5.691 -27.899 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -1.061 5.212 -27.933 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -1.403 6.931 -27.925 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -0.076 7.158 -30.081 1.00 0.00 H new ATOM 0 HD3 LYS B 33 0.124 5.417 -30.104 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -2.385 5.148 -30.068 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -2.559 6.892 -30.103 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -2.595 5.563 -32.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -1.741 7.030 -32.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -0.904 5.556 -32.157 1.00 0.00 H new ATOM 2028 N GLU B 34 0.946 4.123 -25.483 1.00 0.00 N ATOM 2029 CA GLU B 34 0.537 2.750 -25.067 1.00 0.00 C ATOM 2030 C GLU B 34 -0.111 2.786 -23.687 1.00 0.00 C ATOM 2031 O GLU B 34 -1.058 2.084 -23.427 1.00 0.00 O ATOM 2032 CB GLU B 34 1.752 1.821 -25.041 1.00 0.00 C ATOM 2033 CG GLU B 34 2.255 1.594 -26.468 1.00 0.00 C ATOM 2034 CD GLU B 34 3.470 0.665 -26.441 1.00 0.00 C ATOM 2035 OE1 GLU B 34 3.276 -0.539 -26.475 1.00 0.00 O ATOM 2036 OE2 GLU B 34 4.577 1.175 -26.392 1.00 0.00 O ATOM 0 H GLU B 34 1.944 4.245 -25.655 1.00 0.00 H new ATOM 0 HA GLU B 34 -0.186 2.372 -25.790 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.543 2.257 -24.431 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.485 0.869 -24.583 1.00 0.00 H new ATOM 0 HG2 GLU B 34 1.464 1.158 -27.078 1.00 0.00 H new ATOM 0 HG3 GLU B 34 2.522 2.546 -26.926 1.00 0.00 H new ATOM 2043 N LEU B 35 0.395 3.575 -22.789 1.00 0.00 N ATOM 2044 CA LEU B 35 -0.227 3.626 -21.436 1.00 0.00 C ATOM 2045 C LEU B 35 -1.588 4.299 -21.541 1.00 0.00 C ATOM 2046 O LEU B 35 -2.552 3.892 -20.934 1.00 0.00 O ATOM 2047 CB LEU B 35 0.679 4.438 -20.494 1.00 0.00 C ATOM 2048 CG LEU B 35 -0.091 4.912 -19.223 1.00 0.00 C ATOM 2049 CD1 LEU B 35 0.815 4.829 -17.994 1.00 0.00 C ATOM 2050 CD2 LEU B 35 -0.564 6.368 -19.388 1.00 0.00 C ATOM 0 H LEU B 35 1.203 4.182 -22.926 1.00 0.00 H new ATOM 0 HA LEU B 35 -0.348 2.617 -21.042 1.00 0.00 H new ATOM 0 HB2 LEU B 35 1.533 3.830 -20.197 1.00 0.00 H new ATOM 0 HB3 LEU B 35 1.074 5.304 -21.025 1.00 0.00 H new ATOM 0 HG LEU B 35 -0.955 4.260 -19.092 1.00 0.00 H new ATOM 0 HD11 LEU B 35 0.266 5.163 -17.114 1.00 0.00 H new ATOM 0 HD12 LEU B 35 1.140 3.798 -17.850 1.00 0.00 H new ATOM 0 HD13 LEU B 35 1.687 5.467 -18.141 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -1.099 6.681 -18.491 1.00 0.00 H new ATOM 0 HD22 LEU B 35 0.299 7.016 -19.540 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -1.228 6.440 -20.250 1.00 0.00 H new ATOM 2062 N ILE B 36 -1.653 5.357 -22.275 1.00 0.00 N ATOM 2063 CA ILE B 36 -2.923 6.103 -22.385 1.00 0.00 C ATOM 2064 C ILE B 36 -3.974 5.318 -23.165 1.00 0.00 C ATOM 2065 O ILE B 36 -5.130 5.288 -22.794 1.00 0.00 O ATOM 2066 CB ILE B 36 -2.645 7.430 -23.091 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -1.644 8.244 -22.257 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -3.956 8.202 -23.261 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -1.192 9.482 -23.035 1.00 0.00 C ATOM 0 H ILE B 36 -0.875 5.743 -22.810 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.317 6.272 -21.383 1.00 0.00 H new ATOM 0 HB ILE B 36 -2.218 7.247 -24.077 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.104 8.545 -21.316 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -0.781 7.627 -22.007 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.758 9.148 -23.764 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.651 7.612 -23.858 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -4.393 8.396 -22.282 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -0.483 10.051 -22.434 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -0.714 9.173 -23.964 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -2.057 10.105 -23.262 1.00 0.00 H new ATOM 2081 N ASN B 37 -3.610 4.717 -24.258 1.00 0.00 N ATOM 2082 CA ASN B 37 -4.633 3.984 -25.061 1.00 0.00 C ATOM 2083 C ASN B 37 -4.932 2.589 -24.503 1.00 0.00 C ATOM 2084 O ASN B 37 -6.036 2.098 -24.622 1.00 0.00 O ATOM 2085 CB ASN B 37 -4.123 3.846 -26.493 1.00 0.00 C ATOM 2086 CG ASN B 37 -3.930 5.237 -27.094 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -3.506 6.151 -26.415 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -4.234 5.442 -28.343 1.00 0.00 N ATOM 0 H ASN B 37 -2.661 4.698 -24.631 1.00 0.00 H new ATOM 0 HA ASN B 37 -5.559 4.557 -25.020 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -3.181 3.298 -26.505 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.832 3.274 -27.091 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.116 6.369 -28.751 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -4.590 4.675 -28.914 1.00 0.00 H new ATOM 2095 N ASN B 38 -3.957 1.925 -23.952 1.00 0.00 N ATOM 2096 CA ASN B 38 -4.188 0.521 -23.450 1.00 0.00 C ATOM 2097 C ASN B 38 -4.394 0.450 -21.937 1.00 0.00 C ATOM 2098 O ASN B 38 -5.174 -0.349 -21.459 1.00 0.00 O ATOM 2099 CB ASN B 38 -2.987 -0.351 -23.825 1.00 0.00 C ATOM 2100 CG ASN B 38 -2.747 -0.243 -25.328 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -3.597 0.424 -26.056 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 -1.778 -0.765 -25.844 1.00 0.00 N flip ATOM 0 H ASN B 38 -3.010 2.282 -23.823 1.00 0.00 H new ATOM 0 HA ASN B 38 -5.104 0.162 -23.920 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -2.101 -0.028 -23.278 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -3.173 -1.388 -23.547 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -1.114 -1.287 -25.271 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -1.629 -0.681 -26.850 1.00 0.00 H new ATOM 2109 N GLU B 39 -3.687 1.224 -21.167 1.00 0.00 N ATOM 2110 CA GLU B 39 -3.848 1.114 -19.686 1.00 0.00 C ATOM 2111 C GLU B 39 -5.035 1.949 -19.203 1.00 0.00 C ATOM 2112 O GLU B 39 -5.501 1.771 -18.095 1.00 0.00 O ATOM 2113 CB GLU B 39 -2.564 1.594 -19.003 1.00 0.00 C ATOM 2114 CG GLU B 39 -2.524 1.098 -17.557 1.00 0.00 C ATOM 2115 CD GLU B 39 -1.256 1.623 -16.879 1.00 0.00 C ATOM 2116 OE1 GLU B 39 -0.212 1.017 -17.062 1.00 0.00 O ATOM 2117 OE2 GLU B 39 -1.349 2.630 -16.198 1.00 0.00 O ATOM 0 H GLU B 39 -3.013 1.919 -21.488 1.00 0.00 H new ATOM 0 HA GLU B 39 -4.038 0.072 -19.429 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.694 1.226 -19.547 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -2.516 2.683 -19.024 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.407 1.441 -17.018 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.539 0.008 -17.533 1.00 0.00 H new ATOM 2124 N LEU B 40 -5.540 2.850 -20.014 1.00 0.00 N ATOM 2125 CA LEU B 40 -6.712 3.685 -19.575 1.00 0.00 C ATOM 2126 C LEU B 40 -7.946 3.304 -20.388 1.00 0.00 C ATOM 2127 O LEU B 40 -8.573 4.141 -20.998 1.00 0.00 O ATOM 2128 CB LEU B 40 -6.413 5.166 -19.796 1.00 0.00 C ATOM 2129 CG LEU B 40 -5.035 5.505 -19.219 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -4.779 7.016 -19.329 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -4.976 5.085 -17.748 1.00 0.00 C ATOM 0 H LEU B 40 -5.196 3.044 -20.954 1.00 0.00 H new ATOM 0 HA LEU B 40 -6.894 3.504 -18.516 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -6.439 5.397 -20.861 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.179 5.777 -19.318 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.272 4.969 -19.783 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -3.797 7.250 -18.917 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.813 7.316 -20.376 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -5.544 7.556 -18.772 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -3.995 5.327 -17.340 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.744 5.617 -17.187 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -5.147 4.011 -17.669 1.00 0.00 H new ATOM 2143 N SER B 41 -8.304 2.053 -20.405 1.00 0.00 N ATOM 2144 CA SER B 41 -9.498 1.649 -21.195 1.00 0.00 C ATOM 2145 C SER B 41 -10.720 2.443 -20.718 1.00 0.00 C ATOM 2146 O SER B 41 -11.506 2.909 -21.519 1.00 0.00 O ATOM 2147 CB SER B 41 -9.752 0.152 -21.011 1.00 0.00 C ATOM 2148 OG SER B 41 -10.862 -0.236 -21.812 1.00 0.00 O ATOM 0 H SER B 41 -7.827 1.298 -19.911 1.00 0.00 H new ATOM 0 HA SER B 41 -9.322 1.857 -22.250 1.00 0.00 H new ATOM 0 HB2 SER B 41 -8.867 -0.417 -21.295 1.00 0.00 H new ATOM 0 HB3 SER B 41 -9.950 -0.069 -19.962 1.00 0.00 H new ATOM 0 HG SER B 41 -11.028 -1.195 -21.698 1.00 0.00 H new ATOM 2154 N HIS B 42 -10.888 2.616 -19.426 1.00 0.00 N ATOM 2155 CA HIS B 42 -12.067 3.398 -18.914 1.00 0.00 C ATOM 2156 C HIS B 42 -11.641 4.331 -17.774 1.00 0.00 C ATOM 2157 O HIS B 42 -12.396 5.186 -17.356 1.00 0.00 O ATOM 2158 CB HIS B 42 -13.139 2.437 -18.395 1.00 0.00 C ATOM 2159 CG HIS B 42 -13.772 1.727 -19.558 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -14.642 2.368 -20.428 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -13.668 0.438 -20.013 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -15.024 1.471 -21.356 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -14.458 0.281 -21.148 1.00 0.00 N ATOM 0 H HIS B 42 -10.264 2.252 -18.706 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.466 3.994 -19.735 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -12.695 1.714 -17.710 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -13.895 2.986 -17.833 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -13.066 -0.336 -19.561 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -15.703 1.687 -22.167 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.579 -0.566 -21.704 1.00 0.00 H new ATOM 2172 N PHE B 43 -10.453 4.175 -17.257 1.00 0.00 N ATOM 2173 CA PHE B 43 -10.019 5.055 -16.137 1.00 0.00 C ATOM 2174 C PHE B 43 -9.794 6.487 -16.652 1.00 0.00 C ATOM 2175 O PHE B 43 -9.852 7.436 -15.896 1.00 0.00 O ATOM 2176 CB PHE B 43 -8.741 4.473 -15.495 1.00 0.00 C ATOM 2177 CG PHE B 43 -8.266 5.328 -14.325 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -9.151 5.679 -13.292 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.930 5.771 -14.271 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.703 6.461 -12.220 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -6.491 6.555 -13.198 1.00 0.00 C ATOM 2182 CZ PHE B 43 -7.378 6.900 -12.173 1.00 0.00 C ATOM 0 H PHE B 43 -9.769 3.481 -17.559 1.00 0.00 H new ATOM 0 HA PHE B 43 -10.796 5.097 -15.373 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.936 3.458 -15.150 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.952 4.409 -16.245 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -10.178 5.346 -13.325 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.242 5.505 -15.060 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -9.385 6.726 -11.426 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.466 6.894 -13.161 1.00 0.00 H new ATOM 0 HZ PHE B 43 -7.038 7.506 -11.346 1.00 0.00 H new ATOM 2192 N LEU B 44 -9.557 6.656 -17.933 1.00 0.00 N ATOM 2193 CA LEU B 44 -9.356 8.031 -18.487 1.00 0.00 C ATOM 2194 C LEU B 44 -9.795 8.028 -19.951 1.00 0.00 C ATOM 2195 O LEU B 44 -9.983 6.984 -20.542 1.00 0.00 O ATOM 2196 CB LEU B 44 -7.869 8.427 -18.398 1.00 0.00 C ATOM 2197 CG LEU B 44 -7.724 9.962 -18.334 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -7.920 10.449 -16.892 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -6.326 10.371 -18.816 1.00 0.00 C ATOM 0 H LEU B 44 -9.495 5.901 -18.616 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.943 8.749 -17.914 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.418 7.976 -17.514 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -7.331 8.040 -19.263 1.00 0.00 H new ATOM 0 HG LEU B 44 -8.481 10.413 -18.975 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.816 11.533 -16.857 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.915 10.169 -16.545 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.169 9.991 -16.248 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -6.228 11.456 -18.769 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.572 9.911 -18.178 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -6.184 10.038 -19.844 1.00 0.00 H new ATOM 2211 N GLU B 45 -9.959 9.173 -20.554 1.00 0.00 N ATOM 2212 CA GLU B 45 -10.381 9.173 -21.979 1.00 0.00 C ATOM 2213 C GLU B 45 -9.235 8.634 -22.842 1.00 0.00 C ATOM 2214 O GLU B 45 -8.157 9.192 -22.890 1.00 0.00 O ATOM 2215 CB GLU B 45 -10.765 10.599 -22.420 1.00 0.00 C ATOM 2216 CG GLU B 45 -9.518 11.447 -22.714 1.00 0.00 C ATOM 2217 CD GLU B 45 -9.918 12.921 -22.821 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -11.108 13.193 -22.830 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -9.029 13.753 -22.897 1.00 0.00 O ATOM 0 H GLU B 45 -9.822 10.091 -20.131 1.00 0.00 H new ATOM 0 HA GLU B 45 -11.255 8.533 -22.101 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -11.392 10.550 -23.310 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -11.356 11.077 -21.639 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.781 11.316 -21.922 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.051 11.117 -23.642 1.00 0.00 H new ATOM 2226 N GLU B 46 -9.463 7.547 -23.520 1.00 0.00 N ATOM 2227 CA GLU B 46 -8.397 6.966 -24.384 1.00 0.00 C ATOM 2228 C GLU B 46 -8.096 7.916 -25.533 1.00 0.00 C ATOM 2229 O GLU B 46 -8.939 8.675 -25.966 1.00 0.00 O ATOM 2230 CB GLU B 46 -8.864 5.627 -24.972 1.00 0.00 C ATOM 2231 CG GLU B 46 -8.697 4.534 -23.929 1.00 0.00 C ATOM 2232 CD GLU B 46 -9.132 3.188 -24.518 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -8.299 2.531 -25.120 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -10.291 2.841 -24.365 1.00 0.00 O ATOM 0 H GLU B 46 -10.344 7.033 -23.514 1.00 0.00 H new ATOM 0 HA GLU B 46 -7.505 6.811 -23.777 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -9.908 5.696 -25.279 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -8.285 5.386 -25.863 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -7.657 4.482 -23.606 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -9.293 4.766 -23.047 1.00 0.00 H new ATOM 2241 N ILE B 47 -6.901 7.850 -26.051 1.00 0.00 N ATOM 2242 CA ILE B 47 -6.531 8.712 -27.201 1.00 0.00 C ATOM 2243 C ILE B 47 -6.663 7.862 -28.469 1.00 0.00 C ATOM 2244 O ILE B 47 -6.320 6.696 -28.471 1.00 0.00 O ATOM 2245 CB ILE B 47 -5.094 9.207 -27.020 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -5.061 10.247 -25.888 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -4.606 9.836 -28.320 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -3.621 10.687 -25.617 1.00 0.00 C ATOM 0 H ILE B 47 -6.161 7.230 -25.722 1.00 0.00 H new ATOM 0 HA ILE B 47 -7.180 9.585 -27.272 1.00 0.00 H new ATOM 0 HB ILE B 47 -4.442 8.372 -26.764 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -5.668 11.111 -26.160 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -5.496 9.824 -24.983 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -3.583 10.189 -28.192 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -4.637 9.094 -29.117 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -5.249 10.676 -28.582 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -3.611 11.423 -24.814 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -3.025 9.822 -25.324 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -3.200 11.129 -26.520 1.00 0.00 H new ATOM 2260 N LYS B 48 -7.190 8.416 -29.535 1.00 0.00 N ATOM 2261 CA LYS B 48 -7.379 7.615 -30.793 1.00 0.00 C ATOM 2262 C LYS B 48 -6.411 8.096 -31.874 1.00 0.00 C ATOM 2263 O LYS B 48 -6.088 7.363 -32.789 1.00 0.00 O ATOM 2264 CB LYS B 48 -8.829 7.782 -31.293 1.00 0.00 C ATOM 2265 CG LYS B 48 -9.820 7.821 -30.111 1.00 0.00 C ATOM 2266 CD LYS B 48 -9.893 6.450 -29.416 1.00 0.00 C ATOM 2267 CE LYS B 48 -10.475 6.607 -28.006 1.00 0.00 C ATOM 2268 NZ LYS B 48 -11.027 5.297 -27.555 1.00 0.00 N ATOM 0 H LYS B 48 -7.498 9.387 -29.591 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.180 6.565 -30.579 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.914 8.700 -31.874 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.085 6.959 -31.960 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.509 8.581 -29.394 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -10.809 8.106 -30.469 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.512 5.769 -30.000 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -8.898 6.008 -29.361 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -9.702 6.946 -27.316 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -11.258 7.365 -28.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -11.542 5.427 -26.661 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.676 4.927 -28.278 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -10.248 4.623 -27.411 1.00 0.00 H new ATOM 2282 N GLU B 49 -5.943 9.314 -31.776 1.00 0.00 N ATOM 2283 CA GLU B 49 -4.989 9.848 -32.799 1.00 0.00 C ATOM 2284 C GLU B 49 -3.646 10.104 -32.139 1.00 0.00 C ATOM 2285 O GLU B 49 -3.570 10.574 -31.021 1.00 0.00 O ATOM 2286 CB GLU B 49 -5.513 11.166 -33.367 1.00 0.00 C ATOM 2287 CG GLU B 49 -6.745 10.889 -34.223 1.00 0.00 C ATOM 2288 CD GLU B 49 -7.331 12.206 -34.736 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -6.834 12.704 -35.732 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -8.272 12.689 -34.128 1.00 0.00 O ATOM 0 H GLU B 49 -6.181 9.966 -31.028 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.886 9.120 -33.604 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.765 11.850 -32.557 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.741 11.650 -33.965 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -6.478 10.248 -35.063 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -7.492 10.352 -33.638 1.00 0.00 H new ATOM 2297 N GLN B 50 -2.585 9.814 -32.822 1.00 0.00 N ATOM 2298 CA GLN B 50 -1.250 10.059 -32.233 1.00 0.00 C ATOM 2299 C GLN B 50 -1.019 11.566 -32.139 1.00 0.00 C ATOM 2300 O GLN B 50 -0.169 12.018 -31.407 1.00 0.00 O ATOM 2301 CB GLN B 50 -0.165 9.433 -33.118 1.00 0.00 C ATOM 2302 CG GLN B 50 -0.258 9.989 -34.570 1.00 0.00 C ATOM 2303 CD GLN B 50 1.134 10.377 -35.081 1.00 0.00 C ATOM 2304 OE1 GLN B 50 1.574 9.902 -36.110 1.00 0.00 O ATOM 2305 NE2 GLN B 50 1.842 11.232 -34.396 1.00 0.00 N ATOM 0 H GLN B 50 -2.583 9.418 -33.762 1.00 0.00 H new ATOM 0 HA GLN B 50 -1.203 9.611 -31.241 1.00 0.00 H new ATOM 0 HB2 GLN B 50 0.820 9.647 -32.703 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -0.277 8.349 -33.129 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -0.698 9.238 -35.227 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -0.916 10.857 -34.593 1.00 0.00 H new ATOM 0 HE21 GLN B 50 1.469 11.628 -33.533 1.00 0.00 H new ATOM 0 HE22 GLN B 50 2.769 11.505 -34.723 1.00 0.00 H new ATOM 2314 N GLU B 51 -1.755 12.349 -32.889 1.00 0.00 N ATOM 2315 CA GLU B 51 -1.542 13.827 -32.834 1.00 0.00 C ATOM 2316 C GLU B 51 -1.797 14.331 -31.420 1.00 0.00 C ATOM 2317 O GLU B 51 -1.083 15.170 -30.919 1.00 0.00 O ATOM 2318 CB GLU B 51 -2.489 14.532 -33.817 1.00 0.00 C ATOM 2319 CG GLU B 51 -3.919 14.536 -33.264 1.00 0.00 C ATOM 2320 CD GLU B 51 -4.896 14.931 -34.373 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -5.025 14.172 -35.319 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -5.497 15.987 -34.257 1.00 0.00 O ATOM 0 H GLU B 51 -2.484 12.034 -33.529 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.512 14.048 -33.114 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -2.154 15.555 -33.986 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.466 14.026 -34.782 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -4.173 13.549 -32.876 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -3.996 15.235 -32.431 1.00 0.00 H new ATOM 2329 N VAL B 52 -2.803 13.825 -30.774 1.00 0.00 N ATOM 2330 CA VAL B 52 -3.090 14.274 -29.392 1.00 0.00 C ATOM 2331 C VAL B 52 -1.884 13.972 -28.523 1.00 0.00 C ATOM 2332 O VAL B 52 -1.521 14.737 -27.663 1.00 0.00 O ATOM 2333 CB VAL B 52 -4.310 13.541 -28.850 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -4.590 14.006 -27.423 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -5.527 13.825 -29.734 1.00 0.00 C ATOM 0 H VAL B 52 -3.439 13.119 -31.144 1.00 0.00 H new ATOM 0 HA VAL B 52 -3.294 15.345 -29.387 1.00 0.00 H new ATOM 0 HB VAL B 52 -4.114 12.469 -28.851 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -5.463 13.482 -27.034 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -3.727 13.789 -26.794 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.780 15.079 -27.421 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -6.395 13.297 -29.339 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -5.728 14.896 -29.744 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -5.326 13.484 -30.750 1.00 0.00 H new ATOM 2345 N VAL B 53 -1.280 12.846 -28.731 1.00 0.00 N ATOM 2346 CA VAL B 53 -0.098 12.470 -27.919 1.00 0.00 C ATOM 2347 C VAL B 53 1.036 13.451 -28.159 1.00 0.00 C ATOM 2348 O VAL B 53 1.754 13.794 -27.260 1.00 0.00 O ATOM 2349 CB VAL B 53 0.345 11.070 -28.314 1.00 0.00 C ATOM 2350 CG1 VAL B 53 1.504 10.616 -27.427 1.00 0.00 C ATOM 2351 CG2 VAL B 53 -0.838 10.124 -28.158 1.00 0.00 C ATOM 0 H VAL B 53 -1.556 12.162 -29.435 1.00 0.00 H new ATOM 0 HA VAL B 53 -0.362 12.493 -26.862 1.00 0.00 H new ATOM 0 HB VAL B 53 0.685 11.067 -29.349 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.814 9.612 -27.718 1.00 0.00 H new ATOM 0 HG12 VAL B 53 2.342 11.303 -27.544 1.00 0.00 H new ATOM 0 HG13 VAL B 53 1.184 10.609 -26.385 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -0.536 9.115 -28.438 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -1.173 10.128 -27.121 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -1.653 10.451 -28.804 1.00 0.00 H new ATOM 2361 N ASP B 54 1.213 13.877 -29.371 1.00 0.00 N ATOM 2362 CA ASP B 54 2.315 14.825 -29.686 1.00 0.00 C ATOM 2363 C ASP B 54 2.074 16.152 -28.982 1.00 0.00 C ATOM 2364 O ASP B 54 2.984 16.788 -28.498 1.00 0.00 O ATOM 2365 CB ASP B 54 2.368 15.049 -31.198 1.00 0.00 C ATOM 2366 CG ASP B 54 2.862 13.776 -31.884 1.00 0.00 C ATOM 2367 OD1 ASP B 54 3.463 12.959 -31.207 1.00 0.00 O ATOM 2368 OD2 ASP B 54 2.624 13.634 -33.073 1.00 0.00 O ATOM 0 H ASP B 54 0.636 13.608 -30.168 1.00 0.00 H new ATOM 0 HA ASP B 54 3.261 14.408 -29.342 1.00 0.00 H new ATOM 0 HB2 ASP B 54 1.380 15.316 -31.572 1.00 0.00 H new ATOM 0 HB3 ASP B 54 3.032 15.881 -31.430 1.00 0.00 H new ATOM 2373 N LYS B 55 0.852 16.571 -28.935 1.00 0.00 N ATOM 2374 CA LYS B 55 0.519 17.861 -28.273 1.00 0.00 C ATOM 2375 C LYS B 55 0.774 17.721 -26.780 1.00 0.00 C ATOM 2376 O LYS B 55 1.293 18.611 -26.130 1.00 0.00 O ATOM 2377 CB LYS B 55 -0.952 18.193 -28.517 1.00 0.00 C ATOM 2378 CG LYS B 55 -1.266 19.574 -27.937 1.00 0.00 C ATOM 2379 CD LYS B 55 -2.740 19.905 -28.182 1.00 0.00 C ATOM 2380 CE LYS B 55 -3.062 21.292 -27.613 1.00 0.00 C ATOM 2381 NZ LYS B 55 -3.234 21.199 -26.137 1.00 0.00 N ATOM 0 H LYS B 55 0.055 16.073 -29.330 1.00 0.00 H new ATOM 0 HA LYS B 55 1.136 18.662 -28.680 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -1.167 18.178 -29.586 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -1.588 17.439 -28.053 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -1.051 19.589 -26.868 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -0.630 20.328 -28.401 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.955 19.881 -29.250 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -3.374 19.153 -27.712 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.259 21.990 -27.852 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.971 21.682 -28.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -3.486 22.134 -25.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -3.991 20.521 -25.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -2.345 20.877 -25.704 1.00 0.00 H new ATOM 2395 N VAL B 56 0.425 16.593 -26.241 1.00 0.00 N ATOM 2396 CA VAL B 56 0.653 16.354 -24.798 1.00 0.00 C ATOM 2397 C VAL B 56 2.150 16.301 -24.583 1.00 0.00 C ATOM 2398 O VAL B 56 2.665 16.708 -23.563 1.00 0.00 O ATOM 2399 CB VAL B 56 -0.016 15.028 -24.390 1.00 0.00 C ATOM 2400 CG1 VAL B 56 0.587 14.490 -23.085 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -1.516 15.267 -24.187 1.00 0.00 C ATOM 0 H VAL B 56 -0.012 15.820 -26.743 1.00 0.00 H new ATOM 0 HA VAL B 56 0.221 17.146 -24.186 1.00 0.00 H new ATOM 0 HB VAL B 56 0.151 14.295 -25.179 1.00 0.00 H new ATOM 0 HG11 VAL B 56 0.098 13.553 -22.817 1.00 0.00 H new ATOM 0 HG12 VAL B 56 1.654 14.316 -23.222 1.00 0.00 H new ATOM 0 HG13 VAL B 56 0.437 15.218 -22.288 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -1.997 14.333 -23.898 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -1.663 16.009 -23.402 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -1.956 15.629 -25.116 1.00 0.00 H new ATOM 2411 N MET B 57 2.854 15.819 -25.559 1.00 0.00 N ATOM 2412 CA MET B 57 4.324 15.753 -25.432 1.00 0.00 C ATOM 2413 C MET B 57 4.882 17.167 -25.477 1.00 0.00 C ATOM 2414 O MET B 57 5.892 17.451 -24.899 1.00 0.00 O ATOM 2415 CB MET B 57 4.918 14.893 -26.542 1.00 0.00 C ATOM 2416 CG MET B 57 4.640 13.419 -26.233 1.00 0.00 C ATOM 2417 SD MET B 57 5.644 12.887 -24.821 1.00 0.00 S ATOM 2418 CE MET B 57 7.156 12.492 -25.731 1.00 0.00 C ATOM 0 H MET B 57 2.474 15.468 -26.438 1.00 0.00 H new ATOM 0 HA MET B 57 4.593 15.291 -24.482 1.00 0.00 H new ATOM 0 HB2 MET B 57 4.482 15.165 -27.503 1.00 0.00 H new ATOM 0 HB3 MET B 57 5.991 15.066 -26.619 1.00 0.00 H new ATOM 0 HG2 MET B 57 3.582 13.278 -26.012 1.00 0.00 H new ATOM 0 HG3 MET B 57 4.868 12.806 -27.105 1.00 0.00 H new ATOM 0 HE1 MET B 57 7.297 11.411 -25.750 1.00 0.00 H new ATOM 0 HE2 MET B 57 7.074 12.865 -26.752 1.00 0.00 H new ATOM 0 HE3 MET B 57 8.009 12.961 -25.240 1.00 0.00 H new ATOM 2428 N GLU B 58 4.223 18.081 -26.123 1.00 0.00 N ATOM 2429 CA GLU B 58 4.759 19.468 -26.124 1.00 0.00 C ATOM 2430 C GLU B 58 4.869 19.887 -24.658 1.00 0.00 C ATOM 2431 O GLU B 58 5.823 20.511 -24.236 1.00 0.00 O ATOM 2432 CB GLU B 58 3.793 20.400 -26.868 1.00 0.00 C ATOM 2433 CG GLU B 58 4.409 21.799 -26.995 1.00 0.00 C ATOM 2434 CD GLU B 58 3.422 22.739 -27.695 1.00 0.00 C ATOM 2435 OE1 GLU B 58 2.429 22.249 -28.209 1.00 0.00 O ATOM 2436 OE2 GLU B 58 3.679 23.932 -27.710 1.00 0.00 O ATOM 0 H GLU B 58 3.356 17.936 -26.640 1.00 0.00 H new ATOM 0 HA GLU B 58 5.726 19.522 -26.624 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.576 19.998 -27.858 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.845 20.458 -26.333 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.658 22.188 -26.008 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.339 21.747 -27.561 1.00 0.00 H new ATOM 2443 N THR B 59 3.893 19.512 -23.878 1.00 0.00 N ATOM 2444 CA THR B 59 3.906 19.838 -22.426 1.00 0.00 C ATOM 2445 C THR B 59 4.890 18.921 -21.668 1.00 0.00 C ATOM 2446 O THR B 59 5.610 19.365 -20.795 1.00 0.00 O ATOM 2447 CB THR B 59 2.490 19.630 -21.875 1.00 0.00 C ATOM 2448 OG1 THR B 59 1.585 20.465 -22.585 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.428 19.973 -20.384 1.00 0.00 C ATOM 0 H THR B 59 3.077 18.986 -24.190 1.00 0.00 H new ATOM 0 HA THR B 59 4.227 20.871 -22.289 1.00 0.00 H new ATOM 0 HB THR B 59 2.218 18.582 -22.002 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.678 20.334 -22.238 1.00 0.00 H new ATOM 0 HG21 THR B 59 1.414 19.817 -20.017 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.116 19.331 -19.834 1.00 0.00 H new ATOM 0 HG23 THR B 59 2.711 21.016 -20.238 1.00 0.00 H new ATOM 2457 N LEU B 60 4.893 17.641 -21.963 1.00 0.00 N ATOM 2458 CA LEU B 60 5.792 16.691 -21.228 1.00 0.00 C ATOM 2459 C LEU B 60 7.159 16.579 -21.913 1.00 0.00 C ATOM 2460 O LEU B 60 8.107 16.088 -21.334 1.00 0.00 O ATOM 2461 CB LEU B 60 5.138 15.303 -21.180 1.00 0.00 C ATOM 2462 CG LEU B 60 3.691 15.410 -20.683 1.00 0.00 C ATOM 2463 CD1 LEU B 60 3.096 13.999 -20.569 1.00 0.00 C ATOM 2464 CD2 LEU B 60 3.659 16.103 -19.314 1.00 0.00 C ATOM 0 H LEU B 60 4.311 17.212 -22.682 1.00 0.00 H new ATOM 0 HA LEU B 60 5.941 17.075 -20.219 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.156 14.851 -22.172 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.708 14.648 -20.521 1.00 0.00 H new ATOM 0 HG LEU B 60 3.104 15.999 -21.387 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.067 14.066 -20.216 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.114 13.516 -21.546 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.684 13.412 -19.864 1.00 0.00 H new ATOM 0 HD21 LEU B 60 2.628 16.176 -18.967 1.00 0.00 H new ATOM 0 HD22 LEU B 60 4.243 15.523 -18.599 1.00 0.00 H new ATOM 0 HD23 LEU B 60 4.083 17.103 -19.402 1.00 0.00 H new ATOM 2476 N ASP B 61 7.282 17.032 -23.126 1.00 0.00 N ATOM 2477 CA ASP B 61 8.603 16.951 -23.813 1.00 0.00 C ATOM 2478 C ASP B 61 9.419 18.134 -23.334 1.00 0.00 C ATOM 2479 O ASP B 61 9.816 19.004 -24.085 1.00 0.00 O ATOM 2480 CB ASP B 61 8.427 16.997 -25.333 1.00 0.00 C ATOM 2481 CG ASP B 61 9.772 16.738 -26.006 1.00 0.00 C ATOM 2482 OD1 ASP B 61 10.768 16.725 -25.305 1.00 0.00 O ATOM 2483 OD2 ASP B 61 9.781 16.554 -27.213 1.00 0.00 O ATOM 0 H ASP B 61 6.531 17.454 -23.672 1.00 0.00 H new ATOM 0 HA ASP B 61 9.105 16.012 -23.579 1.00 0.00 H new ATOM 0 HB2 ASP B 61 7.700 16.249 -25.649 1.00 0.00 H new ATOM 0 HB3 ASP B 61 8.037 17.969 -25.636 1.00 0.00 H new ATOM 2488 N GLU B 62 9.628 18.167 -22.058 1.00 0.00 N ATOM 2489 CA GLU B 62 10.370 19.283 -21.429 1.00 0.00 C ATOM 2490 C GLU B 62 11.779 19.372 -22.018 1.00 0.00 C ATOM 2491 O GLU B 62 12.290 20.447 -22.256 1.00 0.00 O ATOM 2492 CB GLU B 62 10.454 19.019 -19.928 1.00 0.00 C ATOM 2493 CG GLU B 62 9.057 18.685 -19.385 1.00 0.00 C ATOM 2494 CD GLU B 62 9.123 18.554 -17.864 1.00 0.00 C ATOM 2495 OE1 GLU B 62 10.225 18.515 -17.342 1.00 0.00 O ATOM 2496 OE2 GLU B 62 8.073 18.505 -17.247 1.00 0.00 O ATOM 0 H GLU B 62 9.308 17.450 -21.407 1.00 0.00 H new ATOM 0 HA GLU B 62 9.855 20.225 -21.617 1.00 0.00 H new ATOM 0 HB2 GLU B 62 11.139 18.194 -19.731 1.00 0.00 H new ATOM 0 HB3 GLU B 62 10.854 19.894 -19.416 1.00 0.00 H new ATOM 0 HG2 GLU B 62 8.350 19.466 -19.664 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.696 17.756 -19.826 1.00 0.00 H new ATOM 2503 N ASP B 63 12.414 18.264 -22.263 1.00 0.00 N ATOM 2504 CA ASP B 63 13.786 18.325 -22.848 1.00 0.00 C ATOM 2505 C ASP B 63 13.675 18.550 -24.355 1.00 0.00 C ATOM 2506 O ASP B 63 14.659 18.771 -25.033 1.00 0.00 O ATOM 2507 CB ASP B 63 14.530 17.018 -22.580 1.00 0.00 C ATOM 2508 CG ASP B 63 13.791 15.862 -23.254 1.00 0.00 C ATOM 2509 OD1 ASP B 63 12.767 16.119 -23.864 1.00 0.00 O ATOM 2510 OD2 ASP B 63 14.264 14.742 -23.154 1.00 0.00 O ATOM 0 H ASP B 63 12.051 17.327 -22.087 1.00 0.00 H new ATOM 0 HA ASP B 63 14.338 19.145 -22.389 1.00 0.00 H new ATOM 0 HB2 ASP B 63 15.549 17.083 -22.961 1.00 0.00 H new ATOM 0 HB3 ASP B 63 14.601 16.841 -21.507 1.00 0.00 H new ATOM 2515 N GLY B 64 12.479 18.513 -24.882 1.00 0.00 N ATOM 2516 CA GLY B 64 12.293 18.751 -26.346 1.00 0.00 C ATOM 2517 C GLY B 64 12.961 17.645 -27.171 1.00 0.00 C ATOM 2518 O GLY B 64 13.503 17.905 -28.226 1.00 0.00 O ATOM 0 H GLY B 64 11.621 18.328 -24.362 1.00 0.00 H new ATOM 0 HA2 GLY B 64 11.229 18.792 -26.579 1.00 0.00 H new ATOM 0 HA3 GLY B 64 12.716 19.718 -26.618 1.00 0.00 H new ATOM 2522 N ASP B 65 12.927 16.416 -26.711 1.00 0.00 N ATOM 2523 CA ASP B 65 13.563 15.296 -27.483 1.00 0.00 C ATOM 2524 C ASP B 65 12.481 14.418 -28.114 1.00 0.00 C ATOM 2525 O ASP B 65 12.772 13.427 -28.752 1.00 0.00 O ATOM 2526 CB ASP B 65 14.406 14.451 -26.532 1.00 0.00 C ATOM 2527 CG ASP B 65 13.495 13.825 -25.484 1.00 0.00 C ATOM 2528 OD1 ASP B 65 12.370 14.278 -25.371 1.00 0.00 O ATOM 2529 OD2 ASP B 65 13.937 12.908 -24.813 1.00 0.00 O ATOM 0 H ASP B 65 12.486 16.139 -25.834 1.00 0.00 H new ATOM 0 HA ASP B 65 14.192 15.711 -28.271 1.00 0.00 H new ATOM 0 HB2 ASP B 65 14.933 13.674 -27.086 1.00 0.00 H new ATOM 0 HB3 ASP B 65 15.164 15.069 -26.051 1.00 0.00 H new ATOM 2534 N GLY B 66 11.234 14.760 -27.932 1.00 0.00 N ATOM 2535 CA GLY B 66 10.141 13.926 -28.514 1.00 0.00 C ATOM 2536 C GLY B 66 9.913 12.718 -27.606 1.00 0.00 C ATOM 2537 O GLY B 66 9.152 11.822 -27.911 1.00 0.00 O ATOM 0 H GLY B 66 10.925 15.578 -27.407 1.00 0.00 H new ATOM 0 HA2 GLY B 66 9.225 14.511 -28.603 1.00 0.00 H new ATOM 0 HA3 GLY B 66 10.409 13.599 -29.519 1.00 0.00 H new ATOM 2541 N GLU B 67 10.575 12.703 -26.483 1.00 0.00 N ATOM 2542 CA GLU B 67 10.431 11.582 -25.516 1.00 0.00 C ATOM 2543 C GLU B 67 10.405 12.188 -24.106 1.00 0.00 C ATOM 2544 O GLU B 67 11.179 13.068 -23.795 1.00 0.00 O ATOM 2545 CB GLU B 67 11.641 10.644 -25.658 1.00 0.00 C ATOM 2546 CG GLU B 67 11.836 10.273 -27.132 1.00 0.00 C ATOM 2547 CD GLU B 67 13.003 9.293 -27.260 1.00 0.00 C ATOM 2548 OE1 GLU B 67 13.566 8.939 -26.237 1.00 0.00 O ATOM 2549 OE2 GLU B 67 13.314 8.913 -28.376 1.00 0.00 O ATOM 0 H GLU B 67 11.222 13.435 -26.190 1.00 0.00 H new ATOM 0 HA GLU B 67 9.519 11.015 -25.701 1.00 0.00 H new ATOM 0 HB2 GLU B 67 12.538 11.130 -25.274 1.00 0.00 H new ATOM 0 HB3 GLU B 67 11.487 9.743 -25.064 1.00 0.00 H new ATOM 0 HG2 GLU B 67 10.925 9.825 -27.529 1.00 0.00 H new ATOM 0 HG3 GLU B 67 12.033 11.169 -27.721 1.00 0.00 H new ATOM 2556 N CYS B 68 9.529 11.734 -23.247 1.00 0.00 N ATOM 2557 CA CYS B 68 9.467 12.297 -21.860 1.00 0.00 C ATOM 2558 C CYS B 68 10.205 11.338 -20.926 1.00 0.00 C ATOM 2559 O CYS B 68 9.874 10.176 -20.829 1.00 0.00 O ATOM 2560 CB CYS B 68 7.989 12.461 -21.425 1.00 0.00 C ATOM 2561 SG CYS B 68 6.942 11.356 -22.404 1.00 0.00 S ATOM 0 H CYS B 68 8.852 10.997 -23.444 1.00 0.00 H new ATOM 0 HA CYS B 68 9.938 13.279 -21.823 1.00 0.00 H new ATOM 0 HB2 CYS B 68 7.884 12.233 -20.364 1.00 0.00 H new ATOM 0 HB3 CYS B 68 7.672 13.495 -21.562 1.00 0.00 H new ATOM 0 HG CYS B 68 6.403 12.022 -23.381 1.00 0.00 H new ATOM 2567 N ASP B 69 11.211 11.812 -20.246 1.00 0.00 N ATOM 2568 CA ASP B 69 11.970 10.918 -19.333 1.00 0.00 C ATOM 2569 C ASP B 69 11.018 10.366 -18.285 1.00 0.00 C ATOM 2570 O ASP B 69 9.936 10.880 -18.088 1.00 0.00 O ATOM 2571 CB ASP B 69 13.076 11.712 -18.632 1.00 0.00 C ATOM 2572 CG ASP B 69 14.069 10.744 -17.982 1.00 0.00 C ATOM 2573 OD1 ASP B 69 13.783 9.558 -17.958 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.100 11.204 -17.520 1.00 0.00 O ATOM 0 H ASP B 69 11.539 12.777 -20.284 1.00 0.00 H new ATOM 0 HA ASP B 69 12.416 10.105 -19.906 1.00 0.00 H new ATOM 0 HB2 ASP B 69 13.591 12.350 -19.350 1.00 0.00 H new ATOM 0 HB3 ASP B 69 12.644 12.368 -17.876 1.00 0.00 H new ATOM 2579 N PHE B 70 11.413 9.338 -17.590 1.00 0.00 N ATOM 2580 CA PHE B 70 10.538 8.776 -16.543 1.00 0.00 C ATOM 2581 C PHE B 70 10.060 9.935 -15.665 1.00 0.00 C ATOM 2582 O PHE B 70 8.922 10.002 -15.281 1.00 0.00 O ATOM 2583 CB PHE B 70 11.359 7.772 -15.720 1.00 0.00 C ATOM 2584 CG PHE B 70 10.694 7.497 -14.391 1.00 0.00 C ATOM 2585 CD1 PHE B 70 9.321 7.233 -14.332 1.00 0.00 C ATOM 2586 CD2 PHE B 70 11.454 7.512 -13.215 1.00 0.00 C ATOM 2587 CE1 PHE B 70 8.712 6.989 -13.102 1.00 0.00 C ATOM 2588 CE2 PHE B 70 10.843 7.263 -11.987 1.00 0.00 C ATOM 2589 CZ PHE B 70 9.471 7.003 -11.930 1.00 0.00 C ATOM 0 H PHE B 70 12.309 8.865 -17.707 1.00 0.00 H new ATOM 0 HA PHE B 70 9.675 8.263 -16.967 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.468 6.841 -16.277 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.363 8.164 -15.555 1.00 0.00 H new ATOM 0 HD1 PHE B 70 8.734 7.218 -15.238 1.00 0.00 H new ATOM 0 HD2 PHE B 70 12.514 7.716 -13.259 1.00 0.00 H new ATOM 0 HE1 PHE B 70 7.652 6.789 -13.055 1.00 0.00 H new ATOM 0 HE2 PHE B 70 11.430 7.271 -11.080 1.00 0.00 H new ATOM 0 HZ PHE B 70 8.997 6.813 -10.978 1.00 0.00 H new ATOM 2599 N GLN B 71 10.934 10.857 -15.379 1.00 0.00 N ATOM 2600 CA GLN B 71 10.558 12.041 -14.555 1.00 0.00 C ATOM 2601 C GLN B 71 9.468 12.860 -15.259 1.00 0.00 C ATOM 2602 O GLN B 71 8.501 13.279 -14.656 1.00 0.00 O ATOM 2603 CB GLN B 71 11.808 12.912 -14.358 1.00 0.00 C ATOM 2604 CG GLN B 71 11.417 14.286 -13.806 1.00 0.00 C ATOM 2605 CD GLN B 71 12.665 15.010 -13.285 1.00 0.00 C ATOM 2606 OE1 GLN B 71 13.385 14.489 -12.455 1.00 0.00 O ATOM 2607 NE2 GLN B 71 12.955 16.196 -13.748 1.00 0.00 N ATOM 0 H GLN B 71 11.907 10.841 -15.685 1.00 0.00 H new ATOM 0 HA GLN B 71 10.171 11.707 -13.592 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.498 12.420 -13.672 1.00 0.00 H new ATOM 0 HB3 GLN B 71 12.331 13.029 -15.307 1.00 0.00 H new ATOM 0 HG2 GLN B 71 10.940 14.879 -14.586 1.00 0.00 H new ATOM 0 HG3 GLN B 71 10.689 14.172 -13.003 1.00 0.00 H new ATOM 0 HE21 GLN B 71 12.351 16.633 -14.444 1.00 0.00 H new ATOM 0 HE22 GLN B 71 13.785 16.685 -13.413 1.00 0.00 H new ATOM 2616 N GLU B 72 9.637 13.123 -16.521 1.00 0.00 N ATOM 2617 CA GLU B 72 8.636 13.944 -17.252 1.00 0.00 C ATOM 2618 C GLU B 72 7.263 13.258 -17.260 1.00 0.00 C ATOM 2619 O GLU B 72 6.238 13.896 -17.075 1.00 0.00 O ATOM 2620 CB GLU B 72 9.144 14.158 -18.678 1.00 0.00 C ATOM 2621 CG GLU B 72 10.339 15.114 -18.648 1.00 0.00 C ATOM 2622 CD GLU B 72 10.923 15.261 -20.054 1.00 0.00 C ATOM 2623 OE1 GLU B 72 10.477 16.141 -20.770 1.00 0.00 O ATOM 2624 OE2 GLU B 72 11.812 14.494 -20.386 1.00 0.00 O ATOM 0 H GLU B 72 10.428 12.804 -17.081 1.00 0.00 H new ATOM 0 HA GLU B 72 8.512 14.905 -16.753 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.436 13.205 -19.120 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.350 14.568 -19.302 1.00 0.00 H new ATOM 0 HG2 GLU B 72 10.027 16.088 -18.270 1.00 0.00 H new ATOM 0 HG3 GLU B 72 11.101 14.737 -17.966 1.00 0.00 H new ATOM 2631 N PHE B 73 7.222 11.970 -17.446 1.00 0.00 N ATOM 2632 CA PHE B 73 5.900 11.277 -17.442 1.00 0.00 C ATOM 2633 C PHE B 73 5.332 11.292 -16.022 1.00 0.00 C ATOM 2634 O PHE B 73 4.136 11.332 -15.815 1.00 0.00 O ATOM 2635 CB PHE B 73 6.042 9.823 -17.907 1.00 0.00 C ATOM 2636 CG PHE B 73 4.692 9.148 -17.767 1.00 0.00 C ATOM 2637 CD1 PHE B 73 3.632 9.516 -18.608 1.00 0.00 C ATOM 2638 CD2 PHE B 73 4.491 8.178 -16.778 1.00 0.00 C ATOM 2639 CE1 PHE B 73 2.375 8.914 -18.456 1.00 0.00 C ATOM 2640 CE2 PHE B 73 3.237 7.574 -16.631 1.00 0.00 C ATOM 2641 CZ PHE B 73 2.179 7.943 -17.468 1.00 0.00 C ATOM 0 H PHE B 73 8.033 11.371 -17.599 1.00 0.00 H new ATOM 0 HA PHE B 73 5.232 11.799 -18.127 1.00 0.00 H new ATOM 0 HB2 PHE B 73 6.380 9.786 -18.943 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.791 9.304 -17.309 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.784 10.263 -19.373 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.305 7.895 -16.127 1.00 0.00 H new ATOM 0 HE1 PHE B 73 1.558 9.200 -19.102 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.086 6.822 -15.870 1.00 0.00 H new ATOM 0 HZ PHE B 73 1.211 7.479 -17.352 1.00 0.00 H new ATOM 2651 N MET B 74 6.189 11.238 -15.049 1.00 0.00 N ATOM 2652 CA MET B 74 5.736 11.230 -13.635 1.00 0.00 C ATOM 2653 C MET B 74 4.953 12.502 -13.321 1.00 0.00 C ATOM 2654 O MET B 74 3.979 12.485 -12.593 1.00 0.00 O ATOM 2655 CB MET B 74 6.952 11.115 -12.711 1.00 0.00 C ATOM 2656 CG MET B 74 7.426 9.658 -12.671 1.00 0.00 C ATOM 2657 SD MET B 74 6.220 8.655 -11.766 1.00 0.00 S ATOM 2658 CE MET B 74 6.473 9.396 -10.134 1.00 0.00 C ATOM 0 H MET B 74 7.201 11.198 -15.174 1.00 0.00 H new ATOM 0 HA MET B 74 5.080 10.375 -13.475 1.00 0.00 H new ATOM 0 HB2 MET B 74 7.755 11.760 -13.067 1.00 0.00 H new ATOM 0 HB3 MET B 74 6.693 11.452 -11.707 1.00 0.00 H new ATOM 0 HG2 MET B 74 7.546 9.275 -13.685 1.00 0.00 H new ATOM 0 HG3 MET B 74 8.402 9.595 -12.189 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.206 8.675 -9.362 1.00 0.00 H new ATOM 0 HE2 MET B 74 7.520 9.679 -10.021 1.00 0.00 H new ATOM 0 HE3 MET B 74 5.845 10.282 -10.035 1.00 0.00 H new ATOM 2668 N ALA B 75 5.379 13.616 -13.830 1.00 0.00 N ATOM 2669 CA ALA B 75 4.651 14.870 -13.519 1.00 0.00 C ATOM 2670 C ALA B 75 3.249 14.827 -14.128 1.00 0.00 C ATOM 2671 O ALA B 75 2.300 15.333 -13.563 1.00 0.00 O ATOM 2672 CB ALA B 75 5.426 16.071 -14.072 1.00 0.00 C ATOM 0 H ALA B 75 6.190 13.714 -14.441 1.00 0.00 H new ATOM 0 HA ALA B 75 4.562 14.971 -12.437 1.00 0.00 H new ATOM 0 HB1 ALA B 75 4.887 16.990 -13.841 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.416 16.107 -13.616 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.528 15.972 -15.153 1.00 0.00 H new ATOM 2678 N PHE B 76 3.114 14.230 -15.275 1.00 0.00 N ATOM 2679 CA PHE B 76 1.774 14.156 -15.934 1.00 0.00 C ATOM 2680 C PHE B 76 0.789 13.418 -15.038 1.00 0.00 C ATOM 2681 O PHE B 76 -0.406 13.587 -15.132 1.00 0.00 O ATOM 2682 CB PHE B 76 1.907 13.390 -17.250 1.00 0.00 C ATOM 2683 CG PHE B 76 0.563 13.324 -17.945 1.00 0.00 C ATOM 2684 CD1 PHE B 76 -0.051 14.498 -18.399 1.00 0.00 C ATOM 2685 CD2 PHE B 76 -0.065 12.086 -18.146 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -1.289 14.436 -19.050 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -1.304 12.025 -18.797 1.00 0.00 C ATOM 2688 CZ PHE B 76 -1.915 13.200 -19.249 1.00 0.00 C ATOM 0 H PHE B 76 3.874 13.787 -15.791 1.00 0.00 H new ATOM 0 HA PHE B 76 1.411 15.167 -16.116 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.636 13.881 -17.895 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.277 12.383 -17.059 1.00 0.00 H new ATOM 0 HD1 PHE B 76 0.431 15.452 -18.247 1.00 0.00 H new ATOM 0 HD2 PHE B 76 0.407 11.179 -17.799 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -1.761 15.342 -19.399 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -1.787 11.071 -18.950 1.00 0.00 H new ATOM 0 HZ PHE B 76 -2.870 13.153 -19.752 1.00 0.00 H new ATOM 2698 N VAL B 77 1.277 12.578 -14.194 1.00 0.00 N ATOM 2699 CA VAL B 77 0.370 11.803 -13.307 1.00 0.00 C ATOM 2700 C VAL B 77 -0.106 12.691 -12.169 1.00 0.00 C ATOM 2701 O VAL B 77 -1.203 12.547 -11.673 1.00 0.00 O ATOM 2702 CB VAL B 77 1.127 10.599 -12.736 1.00 0.00 C ATOM 2703 CG1 VAL B 77 0.145 9.469 -12.417 1.00 0.00 C ATOM 2704 CG2 VAL B 77 2.146 10.131 -13.770 1.00 0.00 C ATOM 0 H VAL B 77 2.271 12.387 -14.072 1.00 0.00 H new ATOM 0 HA VAL B 77 -0.491 11.455 -13.878 1.00 0.00 H new ATOM 0 HB VAL B 77 1.638 10.883 -11.816 1.00 0.00 H new ATOM 0 HG11 VAL B 77 0.690 8.617 -12.012 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -0.583 9.816 -11.684 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -0.372 9.169 -13.328 1.00 0.00 H new ATOM 0 HG21 VAL B 77 2.694 9.274 -13.379 1.00 0.00 H new ATOM 0 HG22 VAL B 77 1.629 9.844 -14.686 1.00 0.00 H new ATOM 0 HG23 VAL B 77 2.844 10.940 -13.985 1.00 0.00 H new ATOM 2714 N SER B 78 0.719 13.594 -11.732 1.00 0.00 N ATOM 2715 CA SER B 78 0.302 14.466 -10.608 1.00 0.00 C ATOM 2716 C SER B 78 -0.837 15.378 -11.056 1.00 0.00 C ATOM 2717 O SER B 78 -1.774 15.611 -10.322 1.00 0.00 O ATOM 2718 CB SER B 78 1.486 15.309 -10.136 1.00 0.00 C ATOM 2719 OG SER B 78 2.146 15.876 -11.261 1.00 0.00 O ATOM 0 H SER B 78 1.655 13.765 -12.100 1.00 0.00 H new ATOM 0 HA SER B 78 -0.042 13.843 -9.783 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.140 16.098 -9.468 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.181 14.692 -9.567 1.00 0.00 H new ATOM 0 HG SER B 78 1.732 15.544 -12.085 1.00 0.00 H new ATOM 2725 N MET B 79 -0.772 15.908 -12.249 1.00 0.00 N ATOM 2726 CA MET B 79 -1.866 16.811 -12.699 1.00 0.00 C ATOM 2727 C MET B 79 -3.133 16.014 -13.042 1.00 0.00 C ATOM 2728 O MET B 79 -4.233 16.414 -12.702 1.00 0.00 O ATOM 2729 CB MET B 79 -1.391 17.605 -13.922 1.00 0.00 C ATOM 2730 CG MET B 79 -1.033 16.642 -15.054 1.00 0.00 C ATOM 2731 SD MET B 79 -0.115 17.532 -16.339 1.00 0.00 S ATOM 2732 CE MET B 79 -1.466 18.600 -16.898 1.00 0.00 C ATOM 0 H MET B 79 -0.020 15.757 -12.921 1.00 0.00 H new ATOM 0 HA MET B 79 -2.114 17.497 -11.889 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.173 18.291 -14.249 1.00 0.00 H new ATOM 0 HB3 MET B 79 -0.524 18.212 -13.660 1.00 0.00 H new ATOM 0 HG2 MET B 79 -0.433 15.818 -14.668 1.00 0.00 H new ATOM 0 HG3 MET B 79 -1.939 16.206 -15.475 1.00 0.00 H new ATOM 0 HE1 MET B 79 -1.252 18.961 -17.904 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.398 18.034 -16.905 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.562 19.449 -16.221 1.00 0.00 H new ATOM 2742 N VAL B 80 -3.008 14.891 -13.698 1.00 0.00 N ATOM 2743 CA VAL B 80 -4.234 14.109 -14.048 1.00 0.00 C ATOM 2744 C VAL B 80 -4.962 13.719 -12.771 1.00 0.00 C ATOM 2745 O VAL B 80 -6.175 13.716 -12.709 1.00 0.00 O ATOM 2746 CB VAL B 80 -3.877 12.850 -14.832 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -5.155 12.037 -15.080 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -3.272 13.250 -16.173 1.00 0.00 C ATOM 0 H VAL B 80 -2.124 14.484 -14.004 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.875 14.732 -14.672 1.00 0.00 H new ATOM 0 HB VAL B 80 -3.160 12.253 -14.268 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -4.909 11.135 -15.640 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.602 11.761 -14.125 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.863 12.637 -15.651 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -3.015 12.354 -16.738 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -3.995 13.839 -16.737 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -2.373 13.843 -16.004 1.00 0.00 H new ATOM 2758 N THR B 81 -4.233 13.395 -11.750 1.00 0.00 N ATOM 2759 CA THR B 81 -4.885 13.007 -10.478 1.00 0.00 C ATOM 2760 C THR B 81 -5.742 14.164 -10.002 1.00 0.00 C ATOM 2761 O THR B 81 -6.833 13.981 -9.513 1.00 0.00 O ATOM 2762 CB THR B 81 -3.828 12.715 -9.422 1.00 0.00 C ATOM 2763 OG1 THR B 81 -3.009 11.647 -9.859 1.00 0.00 O ATOM 2764 CG2 THR B 81 -4.516 12.363 -8.098 1.00 0.00 C ATOM 0 H THR B 81 -3.213 13.382 -11.740 1.00 0.00 H new ATOM 0 HA THR B 81 -5.493 12.117 -10.637 1.00 0.00 H new ATOM 0 HB THR B 81 -3.202 13.594 -9.268 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.273 12.000 -10.401 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.761 12.153 -7.340 1.00 0.00 H new ATOM 0 HG22 THR B 81 -5.132 13.202 -7.774 1.00 0.00 H new ATOM 0 HG23 THR B 81 -5.144 11.483 -8.237 1.00 0.00 H new ATOM 2772 N THR B 82 -5.255 15.358 -10.149 1.00 0.00 N ATOM 2773 CA THR B 82 -6.032 16.543 -9.718 1.00 0.00 C ATOM 2774 C THR B 82 -7.456 16.413 -10.274 1.00 0.00 C ATOM 2775 O THR B 82 -8.432 16.701 -9.603 1.00 0.00 O ATOM 2776 CB THR B 82 -5.347 17.798 -10.280 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.942 17.594 -10.286 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.666 19.006 -9.408 1.00 0.00 C ATOM 0 H THR B 82 -4.342 15.565 -10.554 1.00 0.00 H new ATOM 0 HA THR B 82 -6.077 16.615 -8.631 1.00 0.00 H new ATOM 0 HB THR B 82 -5.709 17.980 -11.292 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.490 18.439 -10.492 1.00 0.00 H new ATOM 0 HG21 THR B 82 -5.175 19.889 -9.816 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.744 19.166 -9.389 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.308 18.828 -8.394 1.00 0.00 H new ATOM 2786 N ALA B 83 -7.576 15.943 -11.487 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.928 15.751 -12.079 1.00 0.00 C ATOM 2788 C ALA B 83 -9.652 14.664 -11.278 1.00 0.00 C ATOM 2789 O ALA B 83 -10.850 14.711 -11.080 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.804 15.321 -13.545 1.00 0.00 C ATOM 0 H ALA B 83 -6.796 15.685 -12.091 1.00 0.00 H new ATOM 0 HA ALA B 83 -9.489 16.685 -12.040 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.799 15.183 -13.969 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -8.274 16.090 -14.106 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -8.251 14.383 -13.604 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.922 13.682 -10.815 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.543 12.579 -10.024 1.00 0.00 C ATOM 2798 C CYS B 84 -10.206 13.157 -8.771 1.00 0.00 C ATOM 2799 O CYS B 84 -11.260 12.712 -8.362 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.459 11.579 -9.600 1.00 0.00 C ATOM 2801 SG CYS B 84 -9.239 10.024 -9.099 1.00 0.00 S ATOM 0 H CYS B 84 -7.915 13.597 -10.952 1.00 0.00 H new ATOM 0 HA CYS B 84 -10.291 12.075 -10.637 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.768 11.403 -10.425 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.874 11.987 -8.776 1.00 0.00 H new ATOM 0 HG CYS B 84 -8.322 9.174 -8.741 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.601 14.135 -8.147 1.00 0.00 N ATOM 2808 CA HIS B 85 -10.217 14.708 -6.922 1.00 0.00 C ATOM 2809 C HIS B 85 -11.594 15.265 -7.281 1.00 0.00 C ATOM 2810 O HIS B 85 -12.550 15.098 -6.549 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.327 15.831 -6.378 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.939 16.385 -5.123 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.763 15.622 -4.311 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -9.858 17.618 -4.523 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -11.147 16.394 -3.279 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -10.623 17.620 -3.362 1.00 0.00 N ATOM 0 H HIS B 85 -8.716 14.555 -8.432 1.00 0.00 H new ATOM 0 HA HIS B 85 -10.319 13.937 -6.159 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.327 15.450 -6.171 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -9.220 16.619 -7.123 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.288 18.456 -4.896 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -11.798 16.064 -2.483 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -10.756 18.394 -2.711 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.714 15.893 -8.419 1.00 0.00 N ATOM 2826 CA GLU B 86 -13.044 16.426 -8.827 1.00 0.00 C ATOM 2827 C GLU B 86 -14.019 15.250 -8.924 1.00 0.00 C ATOM 2828 O GLU B 86 -15.174 15.347 -8.561 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.942 17.103 -10.198 1.00 0.00 C ATOM 2830 CG GLU B 86 -12.139 18.400 -10.080 1.00 0.00 C ATOM 2831 CD GLU B 86 -11.979 19.028 -11.466 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -12.488 18.457 -12.417 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -11.346 20.067 -11.554 1.00 0.00 O ATOM 0 H GLU B 86 -10.954 16.059 -9.079 1.00 0.00 H new ATOM 0 HA GLU B 86 -13.388 17.157 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -12.462 16.432 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -13.939 17.316 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -12.646 19.095 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -11.160 18.196 -9.646 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.554 14.136 -9.425 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.437 12.942 -9.564 1.00 0.00 C ATOM 2842 C PHE B 87 -14.469 12.159 -8.251 1.00 0.00 C ATOM 2843 O PHE B 87 -15.406 11.438 -7.969 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.895 12.036 -10.666 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.848 10.887 -10.878 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.698 9.705 -10.146 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -15.884 11.006 -11.810 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.586 8.641 -10.348 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -16.771 9.944 -12.013 1.00 0.00 C ATOM 2850 CZ PHE B 87 -16.623 8.761 -11.282 1.00 0.00 C ATOM 0 H PHE B 87 -12.595 14.002 -9.745 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.445 13.274 -9.814 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -13.776 12.600 -11.591 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.909 11.660 -10.392 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -13.898 9.613 -9.426 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.999 11.920 -12.374 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.471 7.728 -9.783 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.570 10.037 -12.734 1.00 0.00 H new ATOM 0 HZ PHE B 87 -17.308 7.940 -11.437 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.454 12.289 -7.448 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.431 11.549 -6.162 1.00 0.00 C ATOM 2862 C PHE B 88 -14.638 11.979 -5.341 1.00 0.00 C ATOM 2863 O PHE B 88 -15.265 11.184 -4.669 1.00 0.00 O ATOM 2864 CB PHE B 88 -12.153 11.874 -5.393 1.00 0.00 C ATOM 2865 CG PHE B 88 -12.111 11.059 -4.122 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.728 11.543 -2.963 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.450 9.823 -4.102 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.688 10.792 -1.784 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.411 9.073 -2.922 1.00 0.00 C ATOM 2870 CZ PHE B 88 -12.030 9.556 -1.763 1.00 0.00 C ATOM 0 H PHE B 88 -12.639 12.876 -7.627 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.462 10.476 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.280 11.655 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -12.118 12.938 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -13.235 12.496 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.972 9.451 -4.996 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -13.165 11.165 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.903 8.120 -2.905 1.00 0.00 H new ATOM 0 HZ PHE B 88 -12.000 8.975 -0.853 1.00 0.00 H new ATOM 3114 N ARG X 104 21.597 20.474 2.585 1.00 0.00 N ATOM 3115 CA ARG X 104 20.878 19.197 2.342 1.00 0.00 C ATOM 3116 C ARG X 104 19.742 19.438 1.342 1.00 0.00 C ATOM 3117 O ARG X 104 19.447 18.604 0.505 1.00 0.00 O ATOM 3118 CB ARG X 104 20.309 18.672 3.662 1.00 0.00 C ATOM 3119 CG ARG X 104 21.453 18.191 4.558 1.00 0.00 C ATOM 3120 CD ARG X 104 20.925 17.898 5.963 1.00 0.00 C ATOM 3121 NE ARG X 104 22.051 17.410 6.806 1.00 0.00 N ATOM 3122 CZ ARG X 104 21.940 17.373 8.106 1.00 0.00 C ATOM 3123 NH1 ARG X 104 20.832 17.743 8.688 1.00 0.00 N ATOM 3124 NH2 ARG X 104 22.947 16.968 8.828 1.00 0.00 N ATOM 0 HA ARG X 104 21.567 18.459 1.933 1.00 0.00 H new ATOM 0 HB2 ARG X 104 19.745 19.458 4.165 1.00 0.00 H new ATOM 0 HB3 ARG X 104 19.615 17.854 3.471 1.00 0.00 H new ATOM 0 HG2 ARG X 104 21.905 17.294 4.135 1.00 0.00 H new ATOM 0 HG3 ARG X 104 22.234 18.950 4.604 1.00 0.00 H new ATOM 0 HD2 ARG X 104 20.490 18.798 6.398 1.00 0.00 H new ATOM 0 HD3 ARG X 104 20.133 17.150 5.920 1.00 0.00 H new ATOM 0 HE ARG X 104 22.917 17.102 6.364 1.00 0.00 H new ATOM 0 HH11 ARG X 104 20.044 18.064 8.126 1.00 0.00 H new ATOM 0 HH12 ARG X 104 20.754 17.711 9.705 1.00 0.00 H new ATOM 0 HH21 ARG X 104 23.816 16.682 8.377 1.00 0.00 H new ATOM 0 HH22 ARG X 104 22.866 16.937 9.844 1.00 0.00 H new ATOM 3138 N HIS X 105 19.104 20.573 1.400 1.00 0.00 N ATOM 3139 CA HIS X 105 18.002 20.833 0.435 1.00 0.00 C ATOM 3140 C HIS X 105 18.558 20.708 -0.987 1.00 0.00 C ATOM 3141 O HIS X 105 17.896 20.225 -1.882 1.00 0.00 O ATOM 3142 CB HIS X 105 17.428 22.241 0.655 1.00 0.00 C ATOM 3143 CG HIS X 105 18.401 23.292 0.173 1.00 0.00 C ATOM 3144 ND1 HIS X 105 18.794 23.659 -1.092 1.00 0.00 N flip ATOM 3145 CD2 HIS X 105 19.098 24.124 1.041 1.00 0.00 C flip ATOM 3146 CE1 HIS X 105 19.716 24.697 -1.010 1.00 0.00 C flip ATOM 3147 NE2 HIS X 105 19.866 24.941 0.292 1.00 0.00 N flip ATOM 0 H HIS X 105 19.295 21.323 2.065 1.00 0.00 H new ATOM 0 HA HIS X 105 17.201 20.109 0.585 1.00 0.00 H new ATOM 0 HB2 HIS X 105 16.482 22.342 0.123 1.00 0.00 H new ATOM 0 HB3 HIS X 105 17.216 22.392 1.713 1.00 0.00 H new ATOM 0 HD2 HIS X 105 19.036 24.117 2.119 1.00 0.00 H new ATOM 0 HE1 HIS X 105 20.208 25.200 -1.830 1.00 0.00 H new ATOM 0 HE2 HIS X 105 20.485 25.656 0.674 1.00 0.00 H new ATOM 3156 N LYS X 106 19.779 21.121 -1.188 1.00 0.00 N ATOM 3157 CA LYS X 106 20.398 21.026 -2.542 1.00 0.00 C ATOM 3158 C LYS X 106 20.418 19.557 -2.978 1.00 0.00 C ATOM 3159 O LYS X 106 20.255 19.238 -4.143 1.00 0.00 O ATOM 3160 CB LYS X 106 21.831 21.566 -2.480 1.00 0.00 C ATOM 3161 CG LYS X 106 22.437 21.594 -3.883 1.00 0.00 C ATOM 3162 CD LYS X 106 23.888 22.073 -3.806 1.00 0.00 C ATOM 3163 CE LYS X 106 24.514 22.000 -5.198 1.00 0.00 C ATOM 3164 NZ LYS X 106 25.932 22.450 -5.130 1.00 0.00 N ATOM 0 H LYS X 106 20.379 21.523 -0.468 1.00 0.00 H new ATOM 0 HA LYS X 106 19.822 21.612 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS X 106 21.833 22.569 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS X 106 22.437 20.940 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS X 106 22.395 20.600 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS X 106 21.858 22.256 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS X 106 23.927 23.095 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS X 106 24.451 21.454 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS X 106 24.463 20.980 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS X 106 23.955 22.627 -5.893 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 26.358 22.400 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 25.969 23.430 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 26.461 21.834 -4.480 1.00 0.00 H new ATOM 3178 N LYS X 107 20.602 18.652 -2.058 1.00 0.00 N ATOM 3179 CA LYS X 107 20.616 17.218 -2.451 1.00 0.00 C ATOM 3180 C LYS X 107 19.309 16.919 -3.185 1.00 0.00 C ATOM 3181 O LYS X 107 19.294 16.207 -4.162 1.00 0.00 O ATOM 3182 CB LYS X 107 20.705 16.322 -1.205 1.00 0.00 C ATOM 3183 CG LYS X 107 22.068 16.489 -0.508 1.00 0.00 C ATOM 3184 CD LYS X 107 23.132 15.593 -1.172 1.00 0.00 C ATOM 3185 CE LYS X 107 23.067 14.177 -0.590 1.00 0.00 C ATOM 3186 NZ LYS X 107 24.131 13.345 -1.216 1.00 0.00 N ATOM 0 H LYS X 107 20.741 18.840 -1.065 1.00 0.00 H new ATOM 0 HA LYS X 107 21.479 17.019 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS X 107 19.903 16.575 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS X 107 20.562 15.280 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS X 107 22.382 17.532 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS X 107 21.976 16.232 0.547 1.00 0.00 H new ATOM 0 HD2 LYS X 107 22.969 15.559 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS X 107 24.124 16.015 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS X 107 23.201 14.208 0.491 1.00 0.00 H new ATOM 0 HE3 LYS X 107 22.087 13.738 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 24.093 12.382 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 23.982 13.308 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 25.062 13.763 -1.016 1.00 0.00 H new ATOM 3200 N LEU X 108 18.215 17.465 -2.716 1.00 0.00 N ATOM 3201 CA LEU X 108 16.900 17.222 -3.390 1.00 0.00 C ATOM 3202 C LEU X 108 16.827 17.998 -4.722 1.00 0.00 C ATOM 3203 O LEU X 108 16.097 17.633 -5.629 1.00 0.00 O ATOM 3204 CB LEU X 108 15.755 17.678 -2.473 1.00 0.00 C ATOM 3205 CG LEU X 108 14.423 17.066 -2.953 1.00 0.00 C ATOM 3206 CD1 LEU X 108 14.262 15.638 -2.409 1.00 0.00 C ATOM 3207 CD2 LEU X 108 13.243 17.918 -2.466 1.00 0.00 C ATOM 0 H LEU X 108 18.174 18.069 -1.895 1.00 0.00 H new ATOM 0 HA LEU X 108 16.805 16.155 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.956 17.373 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU X 108 15.687 18.766 -2.475 1.00 0.00 H new ATOM 0 HG LEU X 108 14.434 17.041 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU X 108 13.317 15.221 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU X 108 15.085 15.018 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU X 108 14.269 15.661 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU X 108 12.308 17.476 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU X 108 13.246 17.955 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU X 108 13.335 18.929 -2.864 1.00 0.00 H new ATOM 3219 N MET X 109 17.566 19.072 -4.854 1.00 0.00 N ATOM 3220 CA MET X 109 17.510 19.853 -6.127 1.00 0.00 C ATOM 3221 C MET X 109 17.868 18.940 -7.298 1.00 0.00 C ATOM 3222 O MET X 109 17.498 19.204 -8.426 1.00 0.00 O ATOM 3223 CB MET X 109 18.471 21.058 -6.088 1.00 0.00 C ATOM 3224 CG MET X 109 17.838 22.230 -5.316 1.00 0.00 C ATOM 3225 SD MET X 109 16.850 21.618 -3.918 1.00 0.00 S ATOM 3226 CE MET X 109 15.312 22.517 -4.259 1.00 0.00 C ATOM 0 H MET X 109 18.199 19.438 -4.143 1.00 0.00 H new ATOM 0 HA MET X 109 16.497 20.236 -6.252 1.00 0.00 H new ATOM 0 HB2 MET X 109 19.409 20.767 -5.614 1.00 0.00 H new ATOM 0 HB3 MET X 109 18.711 21.372 -7.104 1.00 0.00 H new ATOM 0 HG2 MET X 109 18.620 22.896 -4.951 1.00 0.00 H new ATOM 0 HG3 MET X 109 17.207 22.815 -5.985 1.00 0.00 H new ATOM 0 HE1 MET X 109 14.459 21.891 -3.996 1.00 0.00 H new ATOM 0 HE2 MET X 109 15.287 23.432 -3.668 1.00 0.00 H new ATOM 0 HE3 MET X 109 15.265 22.768 -5.319 1.00 0.00 H new ATOM 3236 N PHE X 110 18.602 17.882 -7.050 1.00 0.00 N ATOM 3237 CA PHE X 110 18.999 16.964 -8.167 1.00 0.00 C ATOM 3238 C PHE X 110 17.804 16.758 -9.115 1.00 0.00 C ATOM 3239 O PHE X 110 17.955 16.773 -10.321 1.00 0.00 O ATOM 3240 CB PHE X 110 19.526 15.633 -7.576 1.00 0.00 C ATOM 3241 CG PHE X 110 18.453 14.558 -7.444 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.651 14.476 -6.292 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.311 13.598 -8.454 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.719 13.441 -6.157 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.370 12.570 -8.323 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.577 12.489 -7.172 1.00 0.00 C ATOM 0 H PHE X 110 18.943 17.614 -6.127 1.00 0.00 H new ATOM 0 HA PHE X 110 19.806 17.402 -8.755 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.330 15.257 -8.209 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.958 15.827 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.755 15.213 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.930 13.651 -9.337 1.00 0.00 H new ATOM 0 HE1 PHE X 110 16.109 13.377 -5.268 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.256 11.839 -9.110 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.856 11.692 -7.068 1.00 0.00 H new ATOM 3256 N LYS X 111 16.614 16.630 -8.590 1.00 0.00 N ATOM 3257 CA LYS X 111 15.422 16.502 -9.486 1.00 0.00 C ATOM 3258 C LYS X 111 15.174 17.845 -10.133 1.00 0.00 C ATOM 3259 O LYS X 111 14.884 17.953 -11.304 1.00 0.00 O ATOM 3260 CB LYS X 111 14.182 16.156 -8.666 1.00 0.00 C ATOM 3261 CG LYS X 111 14.230 14.693 -8.289 1.00 0.00 C ATOM 3262 CD LYS X 111 13.249 14.426 -7.150 1.00 0.00 C ATOM 3263 CE LYS X 111 13.740 15.071 -5.845 1.00 0.00 C ATOM 3264 NZ LYS X 111 13.489 14.121 -4.727 1.00 0.00 N ATOM 0 H LYS X 111 16.414 16.608 -7.590 1.00 0.00 H new ATOM 0 HA LYS X 111 15.610 15.722 -10.224 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.140 16.774 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS X 111 13.280 16.367 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS X 111 13.978 14.076 -9.152 1.00 0.00 H new ATOM 0 HG3 LYS X 111 15.240 14.418 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS X 111 12.267 14.822 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.133 13.351 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.803 15.304 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS X 111 13.219 16.012 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 12.803 14.537 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 13.108 13.231 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 14.381 13.930 -4.227 1.00 0.00 H new ATOM 3278 N THR X 112 15.267 18.868 -9.344 1.00 0.00 N ATOM 3279 CA THR X 112 15.020 20.229 -9.858 1.00 0.00 C ATOM 3280 C THR X 112 16.120 20.579 -10.863 1.00 0.00 C ATOM 3281 O THR X 112 15.925 21.363 -11.772 1.00 0.00 O ATOM 3282 CB THR X 112 15.031 21.191 -8.660 1.00 0.00 C ATOM 3283 OG1 THR X 112 14.554 20.499 -7.516 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.112 22.376 -8.929 1.00 0.00 C ATOM 0 H THR X 112 15.506 18.817 -8.354 1.00 0.00 H new ATOM 0 HA THR X 112 14.058 20.302 -10.366 1.00 0.00 H new ATOM 0 HB THR X 112 16.047 21.551 -8.499 1.00 0.00 H new ATOM 0 HG1 THR X 112 14.111 21.131 -6.912 1.00 0.00 H new ATOM 0 HG21 THR X 112 14.128 23.051 -8.073 1.00 0.00 H new ATOM 0 HG22 THR X 112 14.454 22.908 -9.817 1.00 0.00 H new ATOM 0 HG23 THR X 112 13.095 22.018 -9.090 1.00 0.00 H new ATOM 3292 N GLU X 113 17.273 19.988 -10.705 1.00 0.00 N ATOM 3293 CA GLU X 113 18.396 20.264 -11.640 1.00 0.00 C ATOM 3294 CB GLU X 113 17.999 19.845 -13.073 1.00 0.00 C ATOM 3295 CG GLU X 113 17.000 18.664 -13.030 1.00 0.00 C ATOM 3296 CD GLU X 113 17.165 17.788 -14.280 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.728 18.272 -15.248 1.00 0.00 O ATOM 3298 OE2 GLU X 113 16.723 16.651 -14.247 1.00 0.00 O ATOM 0 H GLU X 113 17.485 19.321 -9.962 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.551 20.690 -13.595 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.888 19.558 -13.635 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.168 18.067 -12.133 1.00 0.00 H new ATOM 0 HG3 GLU X 113 15.979 19.043 -12.974 1.00 0.00 H new ATOM 3493 N ARG Y 104 -11.637 16.715 -27.540 1.00 0.00 N ATOM 3494 CA ARG Y 104 -11.726 16.111 -26.187 1.00 0.00 C ATOM 3495 C ARG Y 104 -10.395 16.318 -25.460 1.00 0.00 C ATOM 3496 O ARG Y 104 -10.359 16.554 -24.267 1.00 0.00 O ATOM 3497 CB ARG Y 104 -12.029 14.612 -26.316 1.00 0.00 C ATOM 3498 CG ARG Y 104 -13.466 14.430 -26.817 1.00 0.00 C ATOM 3499 CD ARG Y 104 -13.723 12.963 -27.168 1.00 0.00 C ATOM 3500 NE ARG Y 104 -15.137 12.811 -27.610 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -15.514 11.734 -28.236 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -14.652 10.786 -28.478 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -16.753 11.604 -28.623 1.00 0.00 N ATOM 0 HA ARG Y 104 -12.526 16.586 -25.618 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -11.328 14.145 -27.008 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -11.902 14.119 -25.352 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -14.170 14.757 -26.051 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -13.635 15.056 -27.693 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -13.045 12.640 -27.958 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -13.529 12.329 -26.303 1.00 0.00 H new ATOM 0 HE ARG Y 104 -15.812 13.553 -27.422 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -13.683 10.889 -28.177 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -14.947 9.942 -28.969 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -17.427 12.347 -28.435 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -17.048 10.760 -29.114 1.00 0.00 H new ATOM 3517 N HIS Y 105 -9.297 16.252 -26.158 1.00 0.00 N ATOM 3518 CA HIS Y 105 -7.994 16.461 -25.476 1.00 0.00 C ATOM 3519 C HIS Y 105 -8.011 17.834 -24.790 1.00 0.00 C ATOM 3520 O HIS Y 105 -7.488 18.001 -23.709 1.00 0.00 O ATOM 3521 CB HIS Y 105 -6.851 16.395 -26.498 1.00 0.00 C ATOM 3522 CG HIS Y 105 -6.837 17.632 -27.366 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -6.525 18.942 -27.090 1.00 0.00 N flip ATOM 3524 CD2 HIS Y 105 -7.169 17.600 -28.715 1.00 0.00 C flip ATOM 3525 CE1 HIS Y 105 -6.662 19.705 -28.244 1.00 0.00 C flip ATOM 3526 NE2 HIS Y 105 -7.051 18.854 -29.193 1.00 0.00 N flip ATOM 0 H HIS Y 105 -9.246 16.065 -27.159 1.00 0.00 H new ATOM 0 HA HIS Y 105 -7.836 15.681 -24.731 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -5.898 16.299 -25.979 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -6.965 15.508 -27.122 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -7.467 16.728 -29.278 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -6.489 20.766 -28.349 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -7.236 19.119 -30.160 1.00 0.00 H new ATOM 3535 N LYS Y 106 -8.628 18.807 -25.409 1.00 0.00 N ATOM 3536 CA LYS Y 106 -8.699 20.169 -24.803 1.00 0.00 C ATOM 3537 C LYS Y 106 -9.389 20.074 -23.437 1.00 0.00 C ATOM 3538 O LYS Y 106 -9.057 20.783 -22.506 1.00 0.00 O ATOM 3539 CB LYS Y 106 -9.516 21.086 -25.722 1.00 0.00 C ATOM 3540 CG LYS Y 106 -9.505 22.519 -25.179 1.00 0.00 C ATOM 3541 CD LYS Y 106 -10.362 23.420 -26.077 1.00 0.00 C ATOM 3542 CE LYS Y 106 -10.392 24.828 -25.480 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -11.192 25.739 -26.350 1.00 0.00 N ATOM 0 H LYS Y 106 -9.089 18.715 -26.314 1.00 0.00 H new ATOM 0 HA LYS Y 106 -7.694 20.574 -24.680 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -9.101 21.067 -26.730 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -10.541 20.723 -25.793 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -9.890 22.534 -24.159 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -8.483 22.895 -25.140 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -9.951 23.447 -27.086 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -11.374 23.022 -26.155 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -10.823 24.798 -24.479 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -9.376 25.210 -25.378 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -11.205 26.692 -25.935 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -10.764 25.780 -27.297 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -12.165 25.381 -26.426 1.00 0.00 H new ATOM 3557 N LYS Y 107 -10.343 19.199 -23.297 1.00 0.00 N ATOM 3558 CA LYS Y 107 -11.025 19.083 -21.981 1.00 0.00 C ATOM 3559 C LYS Y 107 -9.965 18.823 -20.918 1.00 0.00 C ATOM 3560 O LYS Y 107 -10.023 19.358 -19.833 1.00 0.00 O ATOM 3561 CB LYS Y 107 -12.015 17.909 -22.000 1.00 0.00 C ATOM 3562 CG LYS Y 107 -13.184 18.206 -22.956 1.00 0.00 C ATOM 3563 CD LYS Y 107 -14.263 19.043 -22.242 1.00 0.00 C ATOM 3564 CE LYS Y 107 -15.220 18.128 -21.472 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -16.310 18.953 -20.882 1.00 0.00 N ATOM 0 H LYS Y 107 -10.676 18.568 -24.025 1.00 0.00 H new ATOM 0 HA LYS Y 107 -11.571 20.002 -21.767 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -11.503 16.999 -22.313 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -12.396 17.730 -20.994 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -12.819 18.743 -23.832 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -13.617 17.271 -23.313 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -13.792 19.748 -21.557 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -14.819 19.631 -22.972 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -15.638 17.374 -22.139 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -14.683 17.597 -20.686 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -16.965 18.339 -20.357 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -15.901 19.657 -20.235 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -16.827 19.440 -21.642 1.00 0.00 H new ATOM 3579 N LEU Y 108 -8.992 18.013 -21.231 1.00 0.00 N ATOM 3580 CA LEU Y 108 -7.911 17.721 -20.243 1.00 0.00 C ATOM 3581 C LEU Y 108 -6.972 18.938 -20.100 1.00 0.00 C ATOM 3582 O LEU Y 108 -6.325 19.123 -19.081 1.00 0.00 O ATOM 3583 CB LEU Y 108 -7.100 16.510 -20.717 1.00 0.00 C ATOM 3584 CG LEU Y 108 -6.268 15.945 -19.548 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -7.134 15.024 -18.669 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -5.080 15.148 -20.094 1.00 0.00 C ATOM 0 H LEU Y 108 -8.897 17.539 -22.129 1.00 0.00 H new ATOM 0 HA LEU Y 108 -8.366 17.508 -19.276 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -7.770 15.741 -21.103 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -6.442 16.800 -21.536 1.00 0.00 H new ATOM 0 HG LEU Y 108 -5.907 16.778 -18.946 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -6.532 14.633 -17.848 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -7.974 15.590 -18.266 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -7.510 14.196 -19.270 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -4.496 14.751 -19.264 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -5.445 14.324 -20.707 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -4.452 15.801 -20.700 1.00 0.00 H new ATOM 3598 N MET Y 109 -6.879 19.768 -21.110 1.00 0.00 N ATOM 3599 CA MET Y 109 -5.970 20.949 -21.012 1.00 0.00 C ATOM 3600 C MET Y 109 -6.352 21.782 -19.790 1.00 0.00 C ATOM 3601 O MET Y 109 -5.542 22.521 -19.267 1.00 0.00 O ATOM 3602 CB MET Y 109 -6.053 21.818 -22.282 1.00 0.00 C ATOM 3603 CG MET Y 109 -5.200 21.211 -23.413 1.00 0.00 C ATOM 3604 SD MET Y 109 -5.243 19.396 -23.346 1.00 0.00 S ATOM 3605 CE MET Y 109 -3.458 19.100 -23.292 1.00 0.00 C ATOM 0 H MET Y 109 -7.388 19.680 -21.989 1.00 0.00 H new ATOM 0 HA MET Y 109 -4.945 20.591 -20.911 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -7.091 21.900 -22.606 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -5.708 22.828 -22.061 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -5.571 21.553 -24.379 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -4.171 21.559 -23.326 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -3.228 18.170 -23.812 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -2.937 19.926 -23.777 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -3.133 19.026 -22.254 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.584 21.689 -19.346 1.00 0.00 N ATOM 3616 CA PHE Y 110 -8.024 22.498 -18.165 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.918 22.501 -17.096 1.00 0.00 C ATOM 3618 O PHE Y 110 -6.636 23.518 -16.493 1.00 0.00 O ATOM 3619 CB PHE Y 110 -9.362 21.937 -17.627 1.00 0.00 C ATOM 3620 CG PHE Y 110 -9.194 20.914 -16.508 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -9.020 19.550 -16.801 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -9.283 21.328 -15.171 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -8.936 18.613 -15.763 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -9.188 20.389 -14.134 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -9.019 19.031 -14.431 1.00 0.00 C ATOM 0 H PHE Y 110 -8.303 21.088 -19.750 1.00 0.00 H new ATOM 0 HA PHE Y 110 -8.194 23.534 -18.457 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.972 22.764 -17.263 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.909 21.476 -18.449 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -8.951 19.224 -17.828 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.425 22.373 -14.939 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -8.807 17.565 -15.992 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.245 20.713 -13.105 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -8.953 18.307 -13.632 1.00 0.00 H new ATOM 3635 N LYS Y 111 -6.255 21.396 -16.896 1.00 0.00 N ATOM 3636 CA LYS Y 111 -5.128 21.378 -15.915 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.974 22.140 -16.514 1.00 0.00 C ATOM 3638 O LYS Y 111 -3.307 22.917 -15.866 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.666 19.943 -15.695 1.00 0.00 C ATOM 3640 CG LYS Y 111 -5.626 19.253 -14.751 1.00 0.00 C ATOM 3641 CD LYS Y 111 -5.418 17.743 -14.830 1.00 0.00 C ATOM 3642 CE LYS Y 111 -5.900 17.194 -16.187 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -6.594 15.894 -15.960 1.00 0.00 N ATOM 0 H LYS Y 111 -6.441 20.509 -17.364 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.454 21.818 -14.972 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.626 19.411 -16.646 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -3.658 19.932 -15.281 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -5.463 19.601 -13.731 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -6.654 19.504 -15.013 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -4.362 17.509 -14.692 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -5.961 17.254 -14.021 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -6.576 17.905 -16.663 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -5.054 17.058 -16.861 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -6.074 15.134 -16.443 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -6.632 15.694 -14.940 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -7.561 15.946 -16.339 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.728 21.881 -17.758 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.611 22.548 -18.451 1.00 0.00 C ATOM 3659 C THR Y 112 -2.909 24.046 -18.537 1.00 0.00 C ATOM 3660 O THR Y 112 -2.018 24.871 -18.586 1.00 0.00 O ATOM 3661 CB THR Y 112 -2.470 21.926 -19.846 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -2.871 20.563 -19.786 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -1.016 21.996 -20.297 1.00 0.00 C ATOM 0 H THR Y 112 -4.262 21.226 -18.330 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.673 22.416 -17.911 1.00 0.00 H new ATOM 0 HB THR Y 112 -3.095 22.472 -20.552 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -2.269 20.020 -20.337 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -0.921 21.553 -21.288 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -0.696 23.037 -20.333 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -0.390 21.448 -19.593 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.166 24.394 -18.552 1.00 0.00 N ATOM 3672 CA GLU Y 113 -4.552 25.828 -18.634 1.00 0.00 C ATOM 3673 CB GLU Y 113 -4.007 26.581 -17.400 1.00 0.00 C ATOM 3674 CG GLU Y 113 -3.926 25.631 -16.182 1.00 0.00 C ATOM 3675 CD GLU Y 113 -4.114 26.425 -14.884 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.956 27.635 -14.923 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -4.409 25.809 -13.873 1.00 0.00 O ATOM 0 H GLU Y 113 -4.948 23.740 -18.511 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -3.019 26.986 -17.620 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -4.654 27.427 -17.167 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -4.692 24.860 -16.260 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -2.962 25.122 -16.171 1.00 0.00 H new