USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1045 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 108 LYS NZ :NH3+ 152:sc= -1.17 (180deg=-1.42) USER MOD Set 1.2: A 109 LYS NZ :NH3+ -173:sc= -0.351 (180deg=-0.318) USER MOD Set 2.1: A 94 ASN : amide:sc= 0.242 K(o=-0.39,f=-3.7!) USER MOD Set 2.2: A 102 CYS SG : rot -95:sc= -0.63! USER MOD Set 3.1: A 99 THR OG1 : rot 122:sc= 0.146 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.142 USER MOD Set 4.1: A 39 SER OG : rot 27:sc= 0.774 USER MOD Set 4.2: A 42 ASN : amide:sc= -0.0276 K(o=-2.4,f=-4.4!) USER MOD Set 4.3: A 82 ASN : amide:sc= -3.15! C(o=-2.4!,f=-12!) USER MOD Set 5.1: A 16 SER OG : rot 180:sc= -0.387 USER MOD Set 5.2: A 19 ASN : amide:sc= -1.94 K(o=-2.3,f=-3.2!) USER MOD Single : A 6 SER OG : rot 137:sc= -2.62 USER MOD Single : A 7 GLN : amide:sc= 0.283 K(o=0.28,f=-4.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 133:sc= -5.34! (180deg=-7.26!) USER MOD Single : A 22 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.1!) USER MOD Single : A 23 HIS : no HD1:sc= -9.34! C(o=-9.3!,f=-25!) USER MOD Single : A 25 CYS SG : rot -12:sc= 0.108 USER MOD Single : A 31 LYS NZ :NH3+ -129:sc= -1.45 (180deg=-4.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -47:sc= 1.09 USER MOD Single : A 49 CYS SG : rot 136:sc= -2.11! USER MOD Single : A 52 TYR OH : rot 2:sc= -0.393 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= -3.71! (180deg=-3.83!) USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= -0.28 (180deg=-1.34) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= -1.53 (180deg=-2.17) USER MOD Single : A 62 SER OG : rot 180:sc= -0.367 USER MOD Single : A 64 LYS NZ :NH3+ 139:sc= -5.14! (180deg=-11.2!) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= -0.0812 (180deg=-0.653) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.34 (180deg=-1.36!) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.439 USER MOD Single : A 70 ASN : amide:sc= -0.259 K(o=-0.26,f=-2!) USER MOD Single : A 74 SER OG : rot 160:sc= -2.46! USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.186) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 112:sc= -0.129 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -57:sc= 0.615 USER MOD Single : A 95 MET CE :methyl -150:sc= -0.925 (180deg=-1.74) USER MOD Single : A 107 GLN : amide:sc= -8.11! C(o=-8.1!,f=-11!) USER MOD Single : A 112 ASN : amide:sc= -0.0675 K(o=-0.067,f=-1.9!) USER MOD Single : A 114 MET CE :methyl 147:sc= -4.95! (180deg=-9.02!) USER MOD Single : A 116 LYS NZ :NH3+ 141:sc= -0.0954 (180deg=-0.838) USER MOD Single : A 118 SER OG : rot -72:sc= 0.633 USER MOD Single : A 119 TYR OH : rot -114:sc= -4.18! USER MOD Single : A 124 LYS NZ :NH3+ -158:sc= -0.171 (180deg=-0.882) USER MOD Single : A 125 SER OG : rot -26:sc= 0.316 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -150:sc= 0.369! USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -11.469 0.850 -12.067 1.00 15.43 N ATOM 18 CA SER A 6 -12.940 0.954 -11.868 1.00 14.66 C ATOM 19 C SER A 6 -13.234 1.845 -10.656 1.00 13.40 C ATOM 20 O SER A 6 -12.454 1.922 -9.726 1.00 12.58 O ATOM 21 CB SER A 6 -13.514 -0.443 -11.638 1.00 15.49 C ATOM 22 OG SER A 6 -13.010 -0.960 -10.414 1.00 15.97 O ATOM 0 HA SER A 6 -13.401 1.395 -12.752 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.603 -0.401 -11.608 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.243 -1.101 -12.464 1.00 15.49 H new ATOM 0 HG SER A 6 -13.736 -1.395 -9.919 1.00 15.97 H new ATOM 28 N GLN A 7 -14.351 2.523 -10.660 1.00 13.37 N ATOM 29 CA GLN A 7 -14.698 3.412 -9.511 1.00 12.23 C ATOM 30 C GLN A 7 -15.024 2.563 -8.284 1.00 11.36 C ATOM 31 O GLN A 7 -14.817 2.966 -7.162 1.00 10.97 O ATOM 32 CB GLN A 7 -15.921 4.264 -9.866 1.00 13.19 C ATOM 33 CG GLN A 7 -15.615 5.151 -11.074 1.00 13.36 C ATOM 34 CD GLN A 7 -14.470 6.111 -10.745 1.00 13.61 C ATOM 35 OE1 GLN A 7 -14.545 6.863 -9.795 1.00 13.82 O ATOM 36 NE2 GLN A 7 -13.405 6.110 -11.498 1.00 13.77 N ATOM 0 H GLN A 7 -15.040 2.500 -11.411 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.849 4.060 -9.296 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.771 3.619 -10.086 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.202 4.882 -9.014 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.347 4.532 -11.930 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -16.504 5.716 -11.355 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -13.345 5.477 -12.296 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -12.632 6.742 -11.289 1.00 13.77 H new ATOM 45 N GLU A 8 -15.565 1.399 -8.484 1.00 13.01 N ATOM 46 CA GLU A 8 -15.920 0.543 -7.320 1.00 12.24 C ATOM 47 C GLU A 8 -14.650 0.037 -6.628 1.00 11.73 C ATOM 48 O GLU A 8 -14.616 -0.132 -5.424 1.00 11.71 O ATOM 49 CB GLU A 8 -16.756 -0.646 -7.795 1.00 13.27 C ATOM 50 CG GLU A 8 -18.116 -0.151 -8.290 1.00 13.55 C ATOM 51 CD GLU A 8 -18.927 0.392 -7.112 1.00 14.55 C ATOM 52 OE1 GLU A 8 -18.731 -0.094 -6.010 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.725 1.287 -7.331 1.00 14.92 O ATOM 0 H GLU A 8 -15.777 1.002 -9.399 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.497 1.134 -6.609 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -16.236 -1.173 -8.595 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.891 -1.357 -6.980 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.979 0.628 -9.040 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -18.657 -0.965 -8.772 1.00 13.55 H new ATOM 60 N GLU A 9 -13.616 -0.238 -7.376 1.00 11.46 N ATOM 61 CA GLU A 9 -12.362 -0.770 -6.758 1.00 11.12 C ATOM 62 C GLU A 9 -11.603 0.314 -5.988 1.00 10.28 C ATOM 63 O GLU A 9 -11.144 0.081 -4.889 1.00 10.32 O ATOM 64 CB GLU A 9 -11.464 -1.340 -7.856 1.00 12.40 C ATOM 65 CG GLU A 9 -12.075 -2.642 -8.379 1.00 13.24 C ATOM 66 CD GLU A 9 -11.327 -3.097 -9.634 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.522 -2.328 -10.132 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.581 -4.203 -10.081 1.00 14.68 O ATOM 0 H GLU A 9 -13.583 -0.118 -8.388 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.638 -1.550 -6.048 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.361 -0.620 -8.668 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.464 -1.525 -7.465 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.020 -3.414 -7.612 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -13.130 -2.493 -8.607 1.00 13.24 H new ATOM 75 N VAL A 10 -11.452 1.490 -6.531 1.00 9.75 N ATOM 76 CA VAL A 10 -10.709 2.533 -5.772 1.00 9.10 C ATOM 77 C VAL A 10 -11.451 2.801 -4.466 1.00 7.91 C ATOM 78 O VAL A 10 -10.858 3.089 -3.450 1.00 7.70 O ATOM 79 CB VAL A 10 -10.611 3.826 -6.582 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.907 3.555 -7.909 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.013 4.356 -6.849 1.00 11.17 C ATOM 0 H VAL A 10 -11.802 1.770 -7.447 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.697 2.181 -5.570 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.039 4.564 -6.019 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.841 4.480 -8.481 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.904 3.174 -7.718 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.473 2.817 -8.477 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -11.949 5.278 -7.426 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.581 3.615 -7.411 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.513 4.555 -5.901 1.00 11.17 H new ATOM 91 N LYS A 11 -12.749 2.707 -4.483 1.00 7.38 N ATOM 92 CA LYS A 11 -13.526 2.956 -3.237 1.00 6.32 C ATOM 93 C LYS A 11 -13.090 1.956 -2.165 1.00 5.68 C ATOM 94 O LYS A 11 -13.044 2.276 -0.993 1.00 5.93 O ATOM 95 CB LYS A 11 -15.023 2.803 -3.528 1.00 8.26 C ATOM 96 CG LYS A 11 -15.507 3.954 -4.427 1.00 8.64 C ATOM 97 CD LYS A 11 -15.782 5.217 -3.600 1.00 9.23 C ATOM 98 CE LYS A 11 -16.386 6.290 -4.507 1.00 9.91 C ATOM 99 NZ LYS A 11 -16.260 7.621 -3.851 1.00 10.51 N ATOM 0 H LYS A 11 -13.306 2.469 -5.304 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.339 3.968 -2.879 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.211 1.847 -4.016 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.585 2.800 -2.594 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -14.755 4.168 -5.186 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.414 3.654 -4.952 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -16.465 4.989 -2.782 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -14.858 5.581 -3.152 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -15.875 6.297 -5.470 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.435 6.067 -4.704 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -16.670 8.352 -4.467 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -16.766 7.610 -2.943 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -15.255 7.832 -3.685 1.00 10.51 H new ATOM 113 N LYS A 12 -12.751 0.753 -2.546 1.00 5.08 N ATOM 114 CA LYS A 12 -12.306 -0.238 -1.528 1.00 4.72 C ATOM 115 C LYS A 12 -11.058 0.309 -0.845 1.00 4.34 C ATOM 116 O LYS A 12 -10.801 0.051 0.313 1.00 4.65 O ATOM 117 CB LYS A 12 -11.953 -1.573 -2.186 1.00 6.91 C ATOM 118 CG LYS A 12 -13.215 -2.259 -2.710 1.00 7.86 C ATOM 119 CD LYS A 12 -12.924 -3.744 -2.950 1.00 8.86 C ATOM 120 CE LYS A 12 -11.704 -3.905 -3.865 1.00 9.89 C ATOM 121 NZ LYS A 12 -10.452 -3.752 -3.070 1.00 10.82 N ATOM 0 H LYS A 12 -12.763 0.417 -3.509 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.112 -0.401 -0.813 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.254 -1.408 -3.006 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.452 -2.220 -1.465 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.028 -2.148 -1.992 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.541 -1.787 -3.637 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.743 -4.245 -1.999 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -13.792 -4.224 -3.402 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -11.724 -4.884 -4.344 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -11.734 -3.160 -4.660 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -9.793 -4.521 -3.308 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -10.010 -2.837 -3.291 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -10.678 -3.791 -2.056 1.00 10.82 H new ATOM 135 N TRP A 13 -10.274 1.064 -1.557 1.00 4.15 N ATOM 136 CA TRP A 13 -9.044 1.625 -0.941 1.00 3.58 C ATOM 137 C TRP A 13 -9.441 2.409 0.306 1.00 2.38 C ATOM 138 O TRP A 13 -8.781 2.357 1.311 1.00 2.83 O ATOM 139 CB TRP A 13 -8.346 2.574 -1.913 1.00 4.70 C ATOM 140 CG TRP A 13 -7.993 1.866 -3.189 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.174 0.544 -3.443 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.398 2.431 -4.391 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.733 0.271 -4.727 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.243 1.402 -5.351 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.986 3.730 -4.739 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.696 1.654 -6.610 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.435 3.986 -6.004 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.290 2.950 -6.938 1.00 6.26 C ATOM 0 H TRP A 13 -10.430 1.316 -2.533 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.365 0.810 -0.690 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -8.996 3.422 -2.130 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.443 2.974 -1.452 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.593 -0.176 -2.756 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.766 -0.652 -5.159 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.094 4.536 -4.028 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.587 0.853 -7.326 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.121 4.987 -6.260 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.865 3.154 -7.910 1.00 6.26 H new ATOM 159 N ALA A 14 -10.518 3.134 0.256 1.00 0.01 N ATOM 160 CA ALA A 14 -10.932 3.909 1.459 1.00 0.01 C ATOM 161 C ALA A 14 -11.601 2.962 2.461 1.00 0.01 C ATOM 162 O ALA A 14 -11.908 3.341 3.573 1.00 0.01 O ATOM 163 CB ALA A 14 -11.914 5.010 1.048 1.00 0.00 C ATOM 0 H ALA A 14 -11.127 3.225 -0.557 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.057 4.367 1.920 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.216 5.576 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.433 5.679 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.793 4.560 0.587 1.00 0.00 H new ATOM 169 N GLU A 15 -11.827 1.726 2.081 1.00 0.01 N ATOM 170 CA GLU A 15 -12.473 0.758 3.023 1.00 0.01 C ATOM 171 C GLU A 15 -11.407 0.037 3.865 1.00 0.01 C ATOM 172 O GLU A 15 -11.672 -0.382 4.974 1.00 0.01 O ATOM 173 CB GLU A 15 -13.273 -0.276 2.227 1.00 0.01 C ATOM 174 CG GLU A 15 -14.472 0.405 1.565 1.00 0.01 C ATOM 175 CD GLU A 15 -15.262 -0.625 0.755 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.765 -1.727 0.592 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.345 -0.290 0.306 1.00 0.01 O ATOM 0 H GLU A 15 -11.593 1.348 1.163 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.138 1.308 3.688 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.639 -0.737 1.469 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.613 -1.074 2.887 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.112 0.855 2.324 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.132 1.211 0.915 1.00 0.01 H new ATOM 184 N SER A 16 -10.204 -0.117 3.358 1.00 0.01 N ATOM 185 CA SER A 16 -9.145 -0.820 4.155 1.00 0.01 C ATOM 186 C SER A 16 -7.792 -0.762 3.427 1.00 0.00 C ATOM 187 O SER A 16 -7.727 -0.785 2.214 1.00 0.00 O ATOM 188 CB SER A 16 -9.543 -2.284 4.352 1.00 0.01 C ATOM 189 OG SER A 16 -9.884 -2.849 3.094 1.00 0.01 O ATOM 0 H SER A 16 -9.912 0.210 2.437 1.00 0.01 H new ATOM 0 HA SER A 16 -9.050 -0.323 5.121 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.720 -2.839 4.803 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.388 -2.355 5.037 1.00 0.01 H new ATOM 0 HG SER A 16 -10.139 -3.788 3.215 1.00 0.01 H new ATOM 195 N LEU A 17 -6.711 -0.687 4.170 1.00 0.00 N ATOM 196 CA LEU A 17 -5.350 -0.627 3.542 1.00 0.00 C ATOM 197 C LEU A 17 -5.101 -1.879 2.697 1.00 0.01 C ATOM 198 O LEU A 17 -4.559 -1.804 1.614 1.00 0.00 O ATOM 199 CB LEU A 17 -4.284 -0.539 4.643 1.00 0.01 C ATOM 200 CG LEU A 17 -2.872 -0.458 4.018 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.740 0.842 3.199 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.793 -0.503 5.133 1.00 0.00 C ATOM 0 H LEU A 17 -6.713 -0.665 5.190 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.295 0.252 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.465 0.338 5.264 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.351 -1.410 5.294 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.724 -1.311 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.744 0.896 2.760 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.487 0.850 2.405 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.896 1.701 3.852 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.802 -0.445 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.934 0.340 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.885 -1.435 5.691 1.00 0.00 H new ATOM 214 N GLU A 18 -5.468 -3.027 3.191 1.00 0.01 N ATOM 215 CA GLU A 18 -5.222 -4.279 2.425 1.00 0.00 C ATOM 216 C GLU A 18 -5.734 -4.130 0.995 1.00 0.00 C ATOM 217 O GLU A 18 -5.057 -4.479 0.051 1.00 0.01 O ATOM 218 CB GLU A 18 -5.963 -5.431 3.103 1.00 0.01 C ATOM 219 CG GLU A 18 -5.290 -5.764 4.434 1.00 0.01 C ATOM 220 CD GLU A 18 -6.047 -6.909 5.108 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.116 -7.245 4.631 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.544 -7.427 6.090 1.00 0.01 O ATOM 0 H GLU A 18 -5.928 -3.153 4.093 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.151 -4.480 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.005 -5.158 3.270 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.963 -6.308 2.455 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.250 -6.047 4.269 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.282 -4.887 5.081 1.00 0.01 H new ATOM 229 N ASN A 19 -6.914 -3.617 0.824 1.00 0.01 N ATOM 230 CA ASN A 19 -7.461 -3.455 -0.551 1.00 0.00 C ATOM 231 C ASN A 19 -6.566 -2.522 -1.371 1.00 0.00 C ATOM 232 O ASN A 19 -6.303 -2.764 -2.533 1.00 0.01 O ATOM 233 CB ASN A 19 -8.862 -2.859 -0.464 1.00 0.01 C ATOM 234 CG ASN A 19 -9.828 -3.902 0.102 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.557 -5.085 0.055 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.951 -3.513 0.638 1.00 0.01 N ATOM 0 H ASN A 19 -7.527 -3.301 1.576 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.497 -4.430 -1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.853 -1.974 0.172 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.194 -2.539 -1.452 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.601 -4.202 1.017 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.180 -2.520 0.678 1.00 0.01 H new ATOM 243 N LEU A 20 -6.098 -1.458 -0.780 1.00 0.00 N ATOM 244 CA LEU A 20 -5.227 -0.516 -1.542 1.00 0.01 C ATOM 245 C LEU A 20 -3.978 -1.248 -2.028 1.00 0.01 C ATOM 246 O LEU A 20 -3.595 -1.142 -3.174 1.00 0.00 O ATOM 247 CB LEU A 20 -4.824 0.654 -0.636 1.00 0.00 C ATOM 248 CG LEU A 20 -3.847 1.596 -1.364 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.466 2.102 -2.675 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.545 2.784 -0.451 1.00 0.01 C ATOM 0 H LEU A 20 -6.278 -1.200 0.190 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.774 -0.133 -2.404 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.712 1.208 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.360 0.273 0.273 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.930 1.056 -1.600 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.763 2.766 -3.177 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.690 1.254 -3.323 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.386 2.645 -2.457 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.854 3.462 -0.952 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.471 3.313 -0.224 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.095 2.426 0.475 1.00 0.01 H new ATOM 262 N ILE A 21 -3.323 -1.978 -1.167 1.00 0.01 N ATOM 263 CA ILE A 21 -2.086 -2.692 -1.592 1.00 0.00 C ATOM 264 C ILE A 21 -2.419 -4.026 -2.276 1.00 0.00 C ATOM 265 O ILE A 21 -1.590 -4.602 -2.951 1.00 0.00 O ATOM 266 CB ILE A 21 -1.197 -2.950 -0.369 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.958 -3.784 0.671 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.789 -1.615 0.258 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.012 -4.207 1.803 1.00 0.01 C ATOM 0 H ILE A 21 -3.590 -2.111 -0.191 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.559 -2.063 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.309 -3.496 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.787 -3.205 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.388 -4.666 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.157 -1.799 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.238 -1.023 -0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.681 -1.070 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.562 -4.798 2.535 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.198 -4.804 1.393 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.603 -3.320 2.286 1.00 0.01 H new ATOM 281 N ASN A 22 -3.611 -4.541 -2.096 1.00 0.00 N ATOM 282 CA ASN A 22 -3.960 -5.855 -2.730 1.00 0.01 C ATOM 283 C ASN A 22 -4.603 -5.638 -4.101 1.00 0.01 C ATOM 284 O ASN A 22 -4.913 -6.582 -4.799 1.00 0.01 O ATOM 285 CB ASN A 22 -4.944 -6.608 -1.835 1.00 0.01 C ATOM 286 CG ASN A 22 -4.224 -7.063 -0.564 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.014 -7.153 -0.540 1.00 0.01 O ATOM 288 ND2 ASN A 22 -4.922 -7.352 0.500 1.00 0.01 N ATOM 0 H ASN A 22 -4.354 -4.114 -1.542 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.044 -6.433 -2.853 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.786 -5.965 -1.579 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.350 -7.470 -2.365 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.451 -7.654 1.353 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -5.939 -7.276 0.479 1.00 0.01 H new ATOM 295 N HIS A 23 -4.815 -4.410 -4.498 1.00 0.01 N ATOM 296 CA HIS A 23 -5.449 -4.154 -5.831 1.00 0.01 C ATOM 297 C HIS A 23 -4.361 -3.936 -6.889 1.00 0.01 C ATOM 298 O HIS A 23 -3.338 -3.335 -6.631 1.00 0.01 O ATOM 299 CB HIS A 23 -6.339 -2.911 -5.744 1.00 0.00 C ATOM 300 CG HIS A 23 -7.225 -2.843 -6.959 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.800 -2.285 -8.154 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.510 -3.268 -7.180 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.814 -2.391 -9.034 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.879 -2.983 -8.491 1.00 0.01 N ATOM 0 H HIS A 23 -4.579 -3.575 -3.962 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.055 -5.015 -6.113 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.946 -2.948 -4.839 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.724 -2.014 -5.679 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.140 -3.751 -6.448 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.770 -2.040 -10.054 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.772 -3.184 -8.940 1.00 0.01 H new ATOM 312 N GLU A 24 -4.576 -4.432 -8.082 1.00 0.01 N ATOM 313 CA GLU A 24 -3.563 -4.270 -9.169 1.00 0.01 C ATOM 314 C GLU A 24 -3.325 -2.780 -9.438 1.00 0.01 C ATOM 315 O GLU A 24 -2.206 -2.347 -9.651 1.00 0.01 O ATOM 316 CB GLU A 24 -4.082 -4.941 -10.442 1.00 0.01 C ATOM 317 CG GLU A 24 -2.992 -4.922 -11.514 1.00 0.01 C ATOM 318 CD GLU A 24 -3.513 -5.604 -12.779 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.581 -6.190 -12.714 1.00 0.00 O ATOM 320 OE2 GLU A 24 -2.835 -5.532 -13.791 1.00 0.01 O ATOM 0 H GLU A 24 -5.415 -4.945 -8.351 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.625 -4.733 -8.864 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -4.378 -5.968 -10.229 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.970 -4.422 -10.803 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.701 -3.895 -11.735 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -2.101 -5.435 -11.152 1.00 0.01 H new ATOM 327 N CYS A 25 -4.365 -1.991 -9.427 1.00 0.01 N ATOM 328 CA CYS A 25 -4.192 -0.534 -9.683 1.00 0.01 C ATOM 329 C CYS A 25 -3.779 0.143 -8.382 1.00 0.01 C ATOM 330 O CYS A 25 -2.993 1.069 -8.378 1.00 0.00 O ATOM 331 CB CYS A 25 -5.509 0.073 -10.175 1.00 0.01 C ATOM 332 SG CYS A 25 -5.321 1.870 -10.313 1.00 0.00 S ATOM 0 H CYS A 25 -5.324 -2.292 -9.252 1.00 0.01 H new ATOM 0 HA CYS A 25 -3.428 -0.385 -10.446 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.781 -0.352 -11.141 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -6.316 -0.168 -9.483 1.00 0.01 H new ATOM 0 HG CYS A 25 -4.218 2.237 -9.730 1.00 0.00 H new ATOM 338 N GLY A 26 -4.278 -0.323 -7.272 1.00 0.01 N ATOM 339 CA GLY A 26 -3.873 0.289 -5.981 1.00 0.01 C ATOM 340 C GLY A 26 -2.360 0.122 -5.837 1.00 0.01 C ATOM 341 O GLY A 26 -1.658 1.030 -5.443 1.00 0.01 O ATOM 0 H GLY A 26 -4.942 -1.094 -7.204 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -4.145 1.344 -5.957 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.391 -0.192 -5.151 1.00 0.01 H new ATOM 345 N LEU A 27 -1.857 -1.035 -6.185 1.00 0.01 N ATOM 346 CA LEU A 27 -0.387 -1.274 -6.102 1.00 0.00 C ATOM 347 C LEU A 27 0.337 -0.271 -7.003 1.00 0.00 C ATOM 348 O LEU A 27 1.277 0.381 -6.592 1.00 0.00 O ATOM 349 CB LEU A 27 -0.072 -2.696 -6.579 1.00 0.00 C ATOM 350 CG LEU A 27 -0.433 -3.716 -5.490 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.355 -5.124 -6.088 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.548 -3.605 -4.298 1.00 0.01 C ATOM 0 H LEU A 27 -2.404 -1.826 -6.524 1.00 0.01 H new ATOM 0 HA LEU A 27 -0.056 -1.153 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.630 -2.913 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.986 -2.778 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.442 -3.515 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.609 -5.858 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.057 -5.206 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.657 -5.311 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.278 -4.335 -3.535 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.563 -3.800 -4.643 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.495 -2.602 -3.875 1.00 0.01 H new ATOM 364 N ALA A 28 -0.093 -0.145 -8.230 1.00 0.00 N ATOM 365 CA ALA A 28 0.576 0.813 -9.153 1.00 0.00 C ATOM 366 C ALA A 28 0.474 2.222 -8.572 1.00 0.01 C ATOM 367 O ALA A 28 1.452 2.937 -8.474 1.00 0.00 O ATOM 368 CB ALA A 28 -0.115 0.772 -10.517 1.00 0.00 C ATOM 0 H ALA A 28 -0.875 -0.662 -8.631 1.00 0.00 H new ATOM 0 HA ALA A 28 1.625 0.540 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.374 1.473 -11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.049 -0.235 -10.928 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.163 1.049 -10.402 1.00 0.00 H new ATOM 374 N ALA A 29 -0.701 2.622 -8.177 1.00 0.00 N ATOM 375 CA ALA A 29 -0.865 3.980 -7.593 1.00 0.01 C ATOM 376 C ALA A 29 -0.135 4.039 -6.256 1.00 0.00 C ATOM 377 O ALA A 29 0.595 4.966 -5.968 1.00 0.00 O ATOM 378 CB ALA A 29 -2.351 4.265 -7.369 1.00 0.01 C ATOM 0 H ALA A 29 -1.555 2.067 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.452 4.723 -8.275 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.470 5.260 -6.941 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.879 4.214 -8.321 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.764 3.524 -6.685 1.00 0.01 H new ATOM 384 N PHE A 30 -0.329 3.049 -5.436 1.00 0.00 N ATOM 385 CA PHE A 30 0.345 3.028 -4.112 1.00 0.00 C ATOM 386 C PHE A 30 1.855 3.048 -4.308 1.00 0.00 C ATOM 387 O PHE A 30 2.560 3.838 -3.713 1.00 0.00 O ATOM 388 CB PHE A 30 -0.063 1.754 -3.382 1.00 0.00 C ATOM 389 CG PHE A 30 0.671 1.658 -2.072 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.177 2.319 -0.943 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.838 0.893 -1.984 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.855 2.214 0.276 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.514 0.789 -0.767 1.00 0.00 C ATOM 394 CZ PHE A 30 2.024 1.448 0.363 1.00 0.00 C ATOM 0 H PHE A 30 -0.930 2.247 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 30 0.053 3.901 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.139 1.753 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.160 0.883 -3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.725 2.909 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.216 0.383 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.477 2.724 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.416 0.199 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.547 1.367 1.304 1.00 0.00 H new ATOM 404 N LYS A 31 2.357 2.184 -5.135 1.00 0.00 N ATOM 405 CA LYS A 31 3.820 2.154 -5.370 1.00 0.00 C ATOM 406 C LYS A 31 4.278 3.476 -5.993 1.00 0.00 C ATOM 407 O LYS A 31 5.213 4.096 -5.534 1.00 0.00 O ATOM 408 CB LYS A 31 4.146 0.988 -6.306 1.00 0.00 C ATOM 409 CG LYS A 31 3.927 -0.329 -5.556 1.00 0.00 C ATOM 410 CD LYS A 31 3.999 -1.511 -6.532 1.00 0.00 C ATOM 411 CE LYS A 31 5.426 -1.675 -7.069 1.00 0.01 C ATOM 412 NZ LYS A 31 5.643 -0.721 -8.192 1.00 0.00 N ATOM 0 H LYS A 31 1.817 1.496 -5.660 1.00 0.00 H new ATOM 0 HA LYS A 31 4.343 2.020 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.511 1.027 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.178 1.058 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.682 -0.443 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.957 -0.316 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.686 -2.426 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.308 -1.350 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.149 -1.490 -6.275 1.00 0.01 H new ATOM 0 HE3 LYS A 31 5.583 -2.698 -7.411 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 6.024 -1.233 -9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.739 -0.277 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.318 0.014 -7.898 1.00 0.00 H new ATOM 426 N ALA A 32 3.631 3.909 -7.039 1.00 0.00 N ATOM 427 CA ALA A 32 4.044 5.181 -7.701 1.00 0.00 C ATOM 428 C ALA A 32 3.708 6.401 -6.836 1.00 0.01 C ATOM 429 O ALA A 32 4.476 7.339 -6.758 1.00 0.00 O ATOM 430 CB ALA A 32 3.328 5.306 -9.046 1.00 0.00 C ATOM 0 H ALA A 32 2.833 3.438 -7.465 1.00 0.00 H new ATOM 0 HA ALA A 32 5.124 5.153 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.627 6.234 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.595 4.461 -9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.250 5.312 -8.885 1.00 0.00 H new ATOM 436 N PHE A 33 2.564 6.419 -6.213 1.00 0.00 N ATOM 437 CA PHE A 33 2.195 7.608 -5.391 1.00 0.00 C ATOM 438 C PHE A 33 3.218 7.827 -4.274 1.00 0.00 C ATOM 439 O PHE A 33 3.659 8.935 -4.038 1.00 0.00 O ATOM 440 CB PHE A 33 0.800 7.418 -4.796 1.00 0.00 C ATOM 441 CG PHE A 33 0.403 8.676 -4.063 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.110 9.836 -4.790 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.329 8.690 -2.665 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.257 11.008 -4.123 1.00 0.01 C ATOM 445 CE2 PHE A 33 -0.039 9.864 -1.996 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.332 11.022 -2.726 1.00 0.00 C ATOM 0 H PHE A 33 1.872 5.670 -6.235 1.00 0.00 H new ATOM 0 HA PHE A 33 2.191 8.488 -6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.081 7.199 -5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.794 6.567 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.168 9.825 -5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.556 7.796 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.482 11.902 -4.685 1.00 0.01 H new ATOM 0 HE2 PHE A 33 -0.097 9.876 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.616 11.927 -2.210 1.00 0.00 H new ATOM 456 N LEU A 34 3.595 6.793 -3.577 1.00 0.00 N ATOM 457 CA LEU A 34 4.585 6.971 -2.474 1.00 0.00 C ATOM 458 C LEU A 34 5.930 7.415 -3.049 1.00 0.00 C ATOM 459 O LEU A 34 6.611 8.239 -2.471 1.00 0.00 O ATOM 460 CB LEU A 34 4.762 5.669 -1.691 1.00 0.00 C ATOM 461 CG LEU A 34 3.450 5.279 -0.992 1.00 0.00 C ATOM 462 CD1 LEU A 34 3.667 3.972 -0.218 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.004 6.389 -0.014 1.00 0.00 C ATOM 0 H LEU A 34 3.265 5.838 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 34 4.211 7.737 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.073 4.871 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.554 5.787 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 34 2.672 5.146 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.741 3.687 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.963 3.184 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.451 4.115 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.073 6.094 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.775 6.540 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.848 7.317 -0.564 1.00 0.00 H new ATOM 475 N LYS A 35 6.324 6.899 -4.180 1.00 0.00 N ATOM 476 CA LYS A 35 7.625 7.336 -4.762 1.00 0.00 C ATOM 477 C LYS A 35 7.599 8.857 -4.873 1.00 0.01 C ATOM 478 O LYS A 35 8.580 9.529 -4.624 1.00 0.00 O ATOM 479 CB LYS A 35 7.806 6.716 -6.147 1.00 0.00 C ATOM 480 CG LYS A 35 8.194 5.244 -6.003 1.00 0.00 C ATOM 481 CD LYS A 35 8.355 4.625 -7.392 1.00 0.00 C ATOM 482 CE LYS A 35 8.633 3.126 -7.256 1.00 0.00 C ATOM 483 NZ LYS A 35 8.422 2.459 -8.571 1.00 0.01 N ATOM 0 H LYS A 35 5.810 6.203 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 35 8.453 7.016 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.883 6.805 -6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.577 7.253 -6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.125 5.155 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.430 4.708 -5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.451 4.786 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.173 5.110 -7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.656 2.965 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.974 2.690 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.611 1.441 -8.478 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 7.439 2.602 -8.879 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 9.068 2.868 -9.275 1.00 0.01 H new ATOM 497 N SER A 36 6.466 9.403 -5.218 1.00 0.00 N ATOM 498 CA SER A 36 6.348 10.882 -5.318 1.00 0.00 C ATOM 499 C SER A 36 6.559 11.475 -3.922 1.00 0.00 C ATOM 500 O SER A 36 6.943 12.618 -3.771 1.00 0.00 O ATOM 501 CB SER A 36 4.951 11.254 -5.825 1.00 0.00 C ATOM 502 OG SER A 36 4.704 10.585 -7.055 1.00 0.00 O ATOM 0 H SER A 36 5.614 8.885 -5.435 1.00 0.00 H new ATOM 0 HA SER A 36 7.092 11.272 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.198 10.975 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.877 12.333 -5.963 1.00 0.00 H new ATOM 0 HG SER A 36 3.810 10.820 -7.381 1.00 0.00 H new ATOM 508 N GLU A 37 6.311 10.694 -2.898 1.00 0.00 N ATOM 509 CA GLU A 37 6.492 11.183 -1.495 1.00 0.00 C ATOM 510 C GLU A 37 7.785 10.590 -0.928 1.00 0.00 C ATOM 511 O GLU A 37 8.083 10.729 0.243 1.00 0.00 O ATOM 512 CB GLU A 37 5.311 10.716 -0.640 1.00 0.00 C ATOM 513 CG GLU A 37 4.035 11.436 -1.079 1.00 0.00 C ATOM 514 CD GLU A 37 2.860 10.962 -0.221 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.037 10.003 0.513 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.805 11.565 -0.312 1.00 0.00 O ATOM 0 H GLU A 37 5.988 9.730 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 37 6.543 12.272 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.183 9.638 -0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.510 10.919 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.160 12.514 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.835 11.235 -2.131 1.00 0.00 H new ATOM 523 N TYR A 38 8.549 9.930 -1.756 1.00 0.00 N ATOM 524 CA TYR A 38 9.827 9.317 -1.292 1.00 0.00 C ATOM 525 C TYR A 38 9.561 8.372 -0.116 1.00 0.00 C ATOM 526 O TYR A 38 10.361 8.256 0.791 1.00 0.00 O ATOM 527 CB TYR A 38 10.802 10.421 -0.878 1.00 0.00 C ATOM 528 CG TYR A 38 11.073 11.309 -2.067 1.00 0.00 C ATOM 529 CD1 TYR A 38 12.073 10.961 -2.981 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.322 12.475 -2.261 1.00 0.00 C ATOM 531 CE1 TYR A 38 12.327 11.778 -4.089 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.575 13.293 -3.371 1.00 0.00 C ATOM 533 CZ TYR A 38 11.579 12.943 -4.284 1.00 0.01 C ATOM 534 OH TYR A 38 11.831 13.749 -5.377 1.00 0.00 O ATOM 0 H TYR A 38 8.340 9.788 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 38 10.267 8.740 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.383 11.006 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.732 9.985 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.650 10.060 -2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.549 12.744 -1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.100 11.508 -4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.997 14.192 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 38 11.223 14.517 -5.364 1.00 0.00 H new ATOM 544 N SER A 39 8.441 7.690 -0.136 1.00 0.00 N ATOM 545 CA SER A 39 8.093 6.732 0.962 1.00 0.00 C ATOM 546 C SER A 39 8.175 5.299 0.414 1.00 0.00 C ATOM 547 O SER A 39 7.593 4.376 0.950 1.00 0.00 O ATOM 548 CB SER A 39 6.666 7.033 1.455 1.00 0.00 C ATOM 549 OG SER A 39 5.987 5.819 1.751 1.00 0.00 O ATOM 0 H SER A 39 7.743 7.757 -0.877 1.00 0.00 H new ATOM 0 HA SER A 39 8.788 6.838 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.705 7.663 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.119 7.589 0.693 1.00 0.00 H new ATOM 0 HG SER A 39 6.640 5.130 1.994 1.00 0.00 H new ATOM 555 N GLU A 40 8.890 5.108 -0.661 1.00 0.00 N ATOM 556 CA GLU A 40 8.999 3.743 -1.257 1.00 0.00 C ATOM 557 C GLU A 40 9.648 2.783 -0.260 1.00 0.00 C ATOM 558 O GLU A 40 9.596 1.580 -0.415 1.00 0.00 O ATOM 559 CB GLU A 40 9.839 3.803 -2.541 1.00 0.00 C ATOM 560 CG GLU A 40 11.262 4.301 -2.238 1.00 0.00 C ATOM 561 CD GLU A 40 11.218 5.783 -1.870 1.00 0.00 C ATOM 562 OE1 GLU A 40 10.265 6.435 -2.257 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.133 6.237 -1.203 1.00 0.00 O ATOM 0 H GLU A 40 9.404 5.838 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 40 7.999 3.381 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.884 2.815 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.362 4.467 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.693 3.725 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.904 4.150 -3.106 1.00 0.00 H new ATOM 570 N GLU A 41 10.258 3.296 0.762 1.00 0.00 N ATOM 571 CA GLU A 41 10.898 2.397 1.755 1.00 0.00 C ATOM 572 C GLU A 41 9.822 1.497 2.372 1.00 0.00 C ATOM 573 O GLU A 41 10.069 0.358 2.715 1.00 0.00 O ATOM 574 CB GLU A 41 11.570 3.238 2.844 1.00 0.00 C ATOM 575 CG GLU A 41 10.509 4.013 3.632 1.00 0.00 C ATOM 576 CD GLU A 41 11.194 4.974 4.605 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.399 4.867 4.763 1.00 0.00 O ATOM 578 OE2 GLU A 41 10.502 5.803 5.172 1.00 0.00 O ATOM 0 H GLU A 41 10.343 4.294 0.955 1.00 0.00 H new ATOM 0 HA GLU A 41 11.654 1.779 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.136 2.593 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.280 3.932 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.867 4.568 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.869 3.320 4.179 1.00 0.00 H new ATOM 585 N ASN A 42 8.632 2.012 2.525 1.00 0.00 N ATOM 586 CA ASN A 42 7.532 1.207 3.129 1.00 0.00 C ATOM 587 C ASN A 42 7.241 -0.045 2.292 1.00 0.00 C ATOM 588 O ASN A 42 7.068 -1.123 2.827 1.00 0.00 O ATOM 589 CB ASN A 42 6.272 2.067 3.206 1.00 0.00 C ATOM 590 CG ASN A 42 6.468 3.155 4.260 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.306 3.027 5.132 1.00 0.00 O ATOM 592 ND2 ASN A 42 5.728 4.227 4.221 1.00 0.00 N ATOM 0 H ASN A 42 8.373 2.961 2.256 1.00 0.00 H new ATOM 0 HA ASN A 42 7.838 0.890 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.065 2.518 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.411 1.449 3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.852 4.958 4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.025 4.335 3.490 1.00 0.00 H new ATOM 599 N ILE A 43 7.175 0.075 0.989 1.00 0.00 N ATOM 600 CA ILE A 43 6.881 -1.131 0.159 1.00 0.00 C ATOM 601 C ILE A 43 8.078 -2.086 0.201 1.00 0.00 C ATOM 602 O ILE A 43 7.913 -3.288 0.264 1.00 0.00 O ATOM 603 CB ILE A 43 6.527 -0.725 -1.293 1.00 0.00 C ATOM 604 CG1 ILE A 43 6.234 -1.975 -2.153 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.662 0.081 -1.932 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.877 -2.585 -1.770 1.00 0.00 C ATOM 0 H ILE A 43 7.310 0.943 0.471 1.00 0.00 H new ATOM 0 HA ILE A 43 6.013 -1.648 0.569 1.00 0.00 H new ATOM 0 HB ILE A 43 5.634 -0.101 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.233 -1.705 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.024 -2.713 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.386 0.353 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.838 0.986 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.570 -0.521 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.687 -3.464 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.892 -2.874 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.089 -1.850 -1.933 1.00 0.00 H new ATOM 618 N ASP A 44 9.276 -1.575 0.176 1.00 0.00 N ATOM 619 CA ASP A 44 10.457 -2.478 0.223 1.00 0.00 C ATOM 620 C ASP A 44 10.399 -3.269 1.529 1.00 0.00 C ATOM 621 O ASP A 44 10.602 -4.466 1.560 1.00 0.00 O ATOM 622 CB ASP A 44 11.735 -1.638 0.191 1.00 0.00 C ATOM 623 CG ASP A 44 11.895 -1.004 -1.191 1.00 0.00 C ATOM 624 OD1 ASP A 44 11.285 -1.502 -2.124 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.618 -0.026 -1.293 1.00 0.00 O ATOM 0 H ASP A 44 9.488 -0.578 0.125 1.00 0.00 H new ATOM 0 HA ASP A 44 10.453 -3.157 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.692 -0.862 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.599 -2.262 0.418 1.00 0.00 H new ATOM 630 N PHE A 45 10.102 -2.596 2.605 1.00 0.00 N ATOM 631 CA PHE A 45 10.000 -3.275 3.924 1.00 0.00 C ATOM 632 C PHE A 45 8.791 -4.215 3.903 1.00 0.00 C ATOM 633 O PHE A 45 8.839 -5.323 4.400 1.00 0.00 O ATOM 634 CB PHE A 45 9.818 -2.205 5.004 1.00 0.00 C ATOM 635 CG PHE A 45 9.931 -2.819 6.380 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.190 -2.995 6.965 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.777 -3.203 7.072 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.295 -3.557 8.244 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.882 -3.762 8.350 1.00 0.00 C ATOM 640 CZ PHE A 45 10.141 -3.940 8.936 1.00 0.00 C ATOM 0 H PHE A 45 9.924 -1.592 2.626 1.00 0.00 H new ATOM 0 HA PHE A 45 10.899 -3.855 4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.571 -1.426 4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.845 -1.727 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.080 -2.698 6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.806 -3.068 6.620 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.266 -3.695 8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.991 -4.056 8.885 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.221 -4.373 9.922 1.00 0.00 H new ATOM 650 N TRP A 46 7.707 -3.772 3.324 1.00 0.00 N ATOM 651 CA TRP A 46 6.479 -4.619 3.252 1.00 0.00 C ATOM 652 C TRP A 46 6.787 -5.905 2.483 1.00 0.00 C ATOM 653 O TRP A 46 6.390 -6.981 2.874 1.00 0.00 O ATOM 654 CB TRP A 46 5.378 -3.851 2.520 1.00 0.00 C ATOM 655 CG TRP A 46 4.089 -4.612 2.587 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.278 -4.671 3.668 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.445 -5.406 1.548 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.179 -5.454 3.359 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.234 -5.927 2.062 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.791 -5.719 0.221 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.396 -6.732 1.288 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.953 -6.529 -0.561 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.757 -7.034 -0.029 1.00 0.00 C ATOM 0 H TRP A 46 7.618 -2.851 2.894 1.00 0.00 H new ATOM 0 HA TRP A 46 6.151 -4.866 4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.251 -2.865 2.968 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.663 -3.694 1.480 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.458 -4.187 4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.420 -5.657 4.010 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.708 -5.333 -0.199 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.477 -7.118 1.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.230 -6.765 -1.578 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.116 -7.656 -0.636 1.00 0.00 H new ATOM 674 N ILE A 47 7.483 -5.799 1.385 1.00 0.00 N ATOM 675 CA ILE A 47 7.798 -7.014 0.585 1.00 0.00 C ATOM 676 C ILE A 47 8.603 -7.986 1.448 1.00 0.00 C ATOM 677 O ILE A 47 8.364 -9.178 1.444 1.00 0.00 O ATOM 678 CB ILE A 47 8.616 -6.607 -0.645 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.721 -5.826 -1.610 1.00 0.00 C ATOM 680 CG2 ILE A 47 9.153 -7.856 -1.355 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.590 -5.139 -2.664 1.00 0.00 C ATOM 0 H ILE A 47 7.847 -4.924 1.008 1.00 0.00 H new ATOM 0 HA ILE A 47 6.877 -7.498 0.260 1.00 0.00 H new ATOM 0 HB ILE A 47 9.454 -5.986 -0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.011 -6.499 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.138 -5.085 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.733 -7.557 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.789 -8.418 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.318 -8.482 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.955 -4.582 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.282 -4.454 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.153 -5.890 -3.217 1.00 0.00 H new ATOM 693 N SER A 48 9.547 -7.491 2.195 1.00 0.00 N ATOM 694 CA SER A 48 10.352 -8.391 3.063 1.00 0.00 C ATOM 695 C SER A 48 9.463 -8.932 4.183 1.00 0.00 C ATOM 696 O SER A 48 9.545 -10.085 4.556 1.00 0.00 O ATOM 697 CB SER A 48 11.521 -7.607 3.665 1.00 0.00 C ATOM 698 OG SER A 48 11.019 -6.656 4.596 1.00 0.00 O ATOM 0 H SER A 48 9.796 -6.503 2.242 1.00 0.00 H new ATOM 0 HA SER A 48 10.742 -9.221 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.214 -8.287 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.079 -7.102 2.877 1.00 0.00 H new ATOM 0 HG SER A 48 10.267 -6.172 4.196 1.00 0.00 H new ATOM 704 N CYS A 49 8.612 -8.102 4.726 1.00 0.00 N ATOM 705 CA CYS A 49 7.716 -8.558 5.826 1.00 0.00 C ATOM 706 C CYS A 49 6.698 -9.575 5.301 1.00 0.00 C ATOM 707 O CYS A 49 6.420 -10.568 5.942 1.00 0.01 O ATOM 708 CB CYS A 49 6.983 -7.355 6.415 1.00 0.00 C ATOM 709 SG CYS A 49 8.095 -6.480 7.541 1.00 0.01 S ATOM 0 H CYS A 49 8.499 -7.126 4.454 1.00 0.00 H new ATOM 0 HA CYS A 49 8.319 -9.035 6.598 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.653 -6.688 5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.090 -7.682 6.947 1.00 0.00 H new ATOM 0 HG CYS A 49 8.005 -5.200 7.333 1.00 0.01 H new ATOM 715 N GLU A 50 6.133 -9.339 4.148 1.00 0.00 N ATOM 716 CA GLU A 50 5.133 -10.309 3.617 1.00 0.00 C ATOM 717 C GLU A 50 5.806 -11.668 3.486 1.00 0.01 C ATOM 718 O GLU A 50 5.303 -12.669 3.952 1.00 0.00 O ATOM 719 CB GLU A 50 4.637 -9.847 2.247 1.00 0.01 C ATOM 720 CG GLU A 50 3.754 -8.611 2.418 1.00 0.00 C ATOM 721 CD GLU A 50 2.438 -9.014 3.084 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.102 -10.186 3.026 1.00 0.01 O ATOM 723 OE2 GLU A 50 1.788 -8.145 3.642 1.00 0.00 O ATOM 0 H GLU A 50 6.317 -8.528 3.557 1.00 0.00 H new ATOM 0 HA GLU A 50 4.281 -10.374 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.483 -9.616 1.600 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.074 -10.645 1.763 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.268 -7.865 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.558 -8.154 1.448 1.00 0.00 H new ATOM 730 N GLU A 51 6.962 -11.703 2.893 1.00 0.01 N ATOM 731 CA GLU A 51 7.686 -12.991 2.776 1.00 0.00 C ATOM 732 C GLU A 51 7.940 -13.493 4.195 1.00 0.01 C ATOM 733 O GLU A 51 7.841 -14.669 4.485 1.00 0.00 O ATOM 734 CB GLU A 51 9.010 -12.767 2.039 1.00 0.00 C ATOM 735 CG GLU A 51 8.722 -12.454 0.567 1.00 0.00 C ATOM 736 CD GLU A 51 10.039 -12.228 -0.179 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.062 -12.133 0.477 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.000 -12.151 -1.396 1.00 0.01 O ATOM 0 H GLU A 51 7.435 -10.897 2.485 1.00 0.01 H new ATOM 0 HA GLU A 51 7.107 -13.723 2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.560 -11.945 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.638 -13.654 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.171 -13.277 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.092 -11.568 0.490 1.00 0.00 H new ATOM 745 N TYR A 52 8.260 -12.592 5.083 1.00 0.00 N ATOM 746 CA TYR A 52 8.514 -12.980 6.494 1.00 0.01 C ATOM 747 C TYR A 52 7.231 -13.563 7.096 1.00 0.01 C ATOM 748 O TYR A 52 7.263 -14.542 7.815 1.00 0.01 O ATOM 749 CB TYR A 52 8.946 -11.736 7.281 1.00 0.00 C ATOM 750 CG TYR A 52 9.649 -12.152 8.549 1.00 0.01 C ATOM 751 CD1 TYR A 52 8.910 -12.467 9.694 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.048 -12.226 8.573 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.570 -12.855 10.866 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.707 -12.614 9.741 1.00 0.00 C ATOM 755 CZ TYR A 52 10.969 -12.929 10.889 1.00 0.01 C ATOM 756 OH TYR A 52 11.621 -13.310 12.043 1.00 0.01 O ATOM 0 H TYR A 52 8.356 -11.596 4.887 1.00 0.00 H new ATOM 0 HA TYR A 52 9.303 -13.731 6.542 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.609 -11.121 6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.075 -11.126 7.521 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.832 -12.411 9.674 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.617 -11.983 7.688 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.001 -13.097 11.752 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.785 -12.671 9.759 1.00 0.00 H new ATOM 0 HH TYR A 52 10.962 -13.521 12.737 1.00 0.01 H new ATOM 766 N LYS A 53 6.103 -12.976 6.799 1.00 0.01 N ATOM 767 CA LYS A 53 4.821 -13.510 7.345 1.00 0.01 C ATOM 768 C LYS A 53 4.501 -14.847 6.680 1.00 0.01 C ATOM 769 O LYS A 53 3.797 -15.670 7.230 1.00 0.01 O ATOM 770 CB LYS A 53 3.683 -12.521 7.081 1.00 0.01 C ATOM 771 CG LYS A 53 3.850 -11.298 7.983 1.00 0.00 C ATOM 772 CD LYS A 53 2.636 -10.381 7.829 1.00 0.00 C ATOM 773 CE LYS A 53 2.655 -9.318 8.929 1.00 0.01 C ATOM 774 NZ LYS A 53 2.386 -9.959 10.247 1.00 0.00 N ATOM 0 H LYS A 53 6.013 -12.152 6.204 1.00 0.01 H new ATOM 0 HA LYS A 53 4.925 -13.652 8.421 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.687 -12.217 6.034 1.00 0.01 H new ATOM 0 HB3 LYS A 53 2.721 -12.998 7.271 1.00 0.01 H new ATOM 0 HG2 LYS A 53 3.953 -11.611 9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.761 -10.760 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.649 -9.905 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.717 -10.964 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.623 -8.817 8.948 1.00 0.01 H new ATOM 0 HE3 LYS A 53 1.904 -8.555 8.724 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 2.499 -9.256 11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.414 -10.330 10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.056 -10.740 10.397 1.00 0.00 H new ATOM 788 N LYS A 54 5.015 -15.074 5.503 1.00 0.00 N ATOM 789 CA LYS A 54 4.740 -16.364 4.809 1.00 0.01 C ATOM 790 C LYS A 54 5.749 -17.401 5.297 1.00 0.01 C ATOM 791 O LYS A 54 5.420 -18.549 5.514 1.00 0.01 O ATOM 792 CB LYS A 54 4.895 -16.171 3.300 1.00 0.01 C ATOM 793 CG LYS A 54 3.763 -15.288 2.778 1.00 0.01 C ATOM 794 CD LYS A 54 3.925 -15.100 1.269 1.00 0.00 C ATOM 795 CE LYS A 54 2.795 -14.216 0.743 1.00 0.01 C ATOM 796 NZ LYS A 54 2.850 -12.891 1.420 1.00 0.01 N ATOM 0 H LYS A 54 5.612 -14.424 4.992 1.00 0.00 H new ATOM 0 HA LYS A 54 3.726 -16.699 5.025 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.859 -15.713 3.079 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.878 -17.137 2.796 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.798 -15.745 2.998 1.00 0.01 H new ATOM 0 HG3 LYS A 54 3.779 -14.321 3.281 1.00 0.01 H new ATOM 0 HD2 LYS A 54 4.890 -14.644 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.908 -16.067 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.889 -14.090 -0.336 1.00 0.01 H new ATOM 0 HE3 LYS A 54 1.831 -14.691 0.926 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.661 -12.139 0.727 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 2.133 -12.856 2.173 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 3.794 -12.752 1.834 1.00 0.01 H new ATOM 810 N ILE A 55 6.971 -16.996 5.494 1.00 0.01 N ATOM 811 CA ILE A 55 7.996 -17.949 5.996 1.00 0.01 C ATOM 812 C ILE A 55 7.660 -18.282 7.450 1.00 0.00 C ATOM 813 O ILE A 55 7.893 -17.496 8.347 1.00 0.01 O ATOM 814 CB ILE A 55 9.379 -17.304 5.905 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.766 -17.151 4.427 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.406 -18.193 6.608 1.00 0.00 C ATOM 817 CD1 ILE A 55 10.962 -16.202 4.294 1.00 0.01 C ATOM 0 H ILE A 55 7.304 -16.046 5.329 1.00 0.01 H new ATOM 0 HA ILE A 55 8.001 -18.861 5.399 1.00 0.01 H new ATOM 0 HB ILE A 55 9.359 -16.326 6.385 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.015 -18.125 4.005 1.00 0.01 H new ATOM 0 HG13 ILE A 55 8.920 -16.765 3.859 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.392 -17.732 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.129 -18.310 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.430 -19.171 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.230 -16.099 3.242 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.698 -15.225 4.698 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.810 -16.606 4.847 1.00 0.01 H new ATOM 829 N LYS A 56 7.084 -19.430 7.684 1.00 0.01 N ATOM 830 CA LYS A 56 6.692 -19.816 9.073 1.00 0.01 C ATOM 831 C LYS A 56 7.785 -20.665 9.722 1.00 0.01 C ATOM 832 O LYS A 56 7.622 -21.165 10.817 1.00 0.01 O ATOM 833 CB LYS A 56 5.399 -20.624 9.015 1.00 0.01 C ATOM 834 CG LYS A 56 4.241 -19.705 8.615 1.00 0.01 C ATOM 835 CD LYS A 56 2.944 -20.513 8.554 1.00 0.00 C ATOM 836 CE LYS A 56 1.787 -19.594 8.155 1.00 0.00 C ATOM 837 NZ LYS A 56 0.586 -20.417 7.838 1.00 0.00 N ATOM 0 H LYS A 56 6.866 -20.123 6.968 1.00 0.01 H new ATOM 0 HA LYS A 56 6.550 -18.913 9.666 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.497 -21.437 8.296 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.198 -21.079 9.985 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.142 -18.893 9.335 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.443 -19.249 7.646 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.043 -21.325 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.742 -20.970 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.563 -18.901 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.068 -18.993 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.201 -19.793 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.804 -21.061 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.315 -20.972 8.675 1.00 0.00 H new ATOM 851 N SER A 57 8.896 -20.837 9.063 1.00 0.00 N ATOM 852 CA SER A 57 9.997 -21.658 9.654 1.00 0.01 C ATOM 853 C SER A 57 10.888 -20.744 10.525 1.00 0.01 C ATOM 854 O SER A 57 11.516 -19.854 9.999 1.00 0.00 O ATOM 855 CB SER A 57 10.849 -22.233 8.520 1.00 0.01 C ATOM 856 OG SER A 57 10.105 -23.226 7.829 1.00 0.01 O ATOM 0 H SER A 57 9.092 -20.446 8.141 1.00 0.00 H new ATOM 0 HA SER A 57 9.579 -22.464 10.257 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.143 -21.440 7.833 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.766 -22.664 8.922 1.00 0.01 H new ATOM 0 HG SER A 57 10.648 -23.594 7.101 1.00 0.01 H new ATOM 862 N PRO A 58 10.955 -20.932 11.841 1.00 0.00 N ATOM 863 CA PRO A 58 11.803 -20.042 12.697 1.00 0.01 C ATOM 864 C PRO A 58 13.311 -20.278 12.499 1.00 0.00 C ATOM 865 O PRO A 58 14.132 -19.558 13.030 1.00 0.00 O ATOM 866 CB PRO A 58 11.361 -20.435 14.121 1.00 0.01 C ATOM 867 CG PRO A 58 10.617 -21.777 14.033 1.00 0.01 C ATOM 868 CD PRO A 58 10.216 -22.012 12.566 1.00 0.01 C ATOM 0 HA PRO A 58 11.669 -18.986 12.462 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.226 -20.521 14.779 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.714 -19.667 14.545 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.253 -22.588 14.387 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.733 -21.764 14.671 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.509 -23.004 12.221 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.138 -21.930 12.424 1.00 0.01 H new ATOM 876 N SER A 59 13.680 -21.286 11.757 1.00 0.01 N ATOM 877 CA SER A 59 15.132 -21.569 11.550 1.00 0.01 C ATOM 878 C SER A 59 15.680 -20.740 10.384 1.00 0.01 C ATOM 879 O SER A 59 16.861 -20.459 10.318 1.00 0.01 O ATOM 880 CB SER A 59 15.315 -23.054 11.240 1.00 0.01 C ATOM 881 OG SER A 59 14.790 -23.333 9.949 1.00 0.01 O ATOM 0 H SER A 59 13.041 -21.926 11.285 1.00 0.01 H new ATOM 0 HA SER A 59 15.675 -21.304 12.457 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.372 -23.318 11.280 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.806 -23.659 11.990 1.00 0.01 H new ATOM 0 HG SER A 59 14.908 -24.285 9.747 1.00 0.01 H new ATOM 887 N LYS A 60 14.847 -20.352 9.454 1.00 0.00 N ATOM 888 CA LYS A 60 15.347 -19.557 8.291 1.00 0.00 C ATOM 889 C LYS A 60 15.232 -18.056 8.579 1.00 0.01 C ATOM 890 O LYS A 60 15.772 -17.239 7.861 1.00 0.01 O ATOM 891 CB LYS A 60 14.503 -19.890 7.053 1.00 0.01 C ATOM 892 CG LYS A 60 14.607 -21.393 6.723 1.00 0.01 C ATOM 893 CD LYS A 60 15.909 -21.721 5.963 1.00 0.01 C ATOM 894 CE LYS A 60 15.972 -20.964 4.621 1.00 0.01 C ATOM 895 NZ LYS A 60 14.593 -20.720 4.109 1.00 0.01 N ATOM 0 H LYS A 60 13.846 -20.550 9.448 1.00 0.00 H new ATOM 0 HA LYS A 60 16.393 -19.808 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.462 -19.621 7.231 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.844 -19.300 6.203 1.00 0.01 H new ATOM 0 HG2 LYS A 60 14.569 -21.972 7.646 1.00 0.01 H new ATOM 0 HG3 LYS A 60 13.749 -21.694 6.122 1.00 0.01 H new ATOM 0 HD2 LYS A 60 16.769 -21.453 6.576 1.00 0.01 H new ATOM 0 HD3 LYS A 60 15.968 -22.794 5.782 1.00 0.01 H new ATOM 0 HE2 LYS A 60 16.493 -20.016 4.753 1.00 0.01 H new ATOM 0 HE3 LYS A 60 16.542 -21.542 3.894 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 14.638 -20.446 3.107 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 14.028 -21.588 4.206 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 14.149 -19.956 4.657 1.00 0.01 H new ATOM 909 N LEU A 61 14.520 -17.682 9.605 1.00 0.01 N ATOM 910 CA LEU A 61 14.364 -16.228 9.910 1.00 0.01 C ATOM 911 C LEU A 61 15.714 -15.606 10.289 1.00 0.01 C ATOM 912 O LEU A 61 16.024 -14.495 9.906 1.00 0.01 O ATOM 913 CB LEU A 61 13.393 -16.053 11.077 1.00 0.01 C ATOM 914 CG LEU A 61 12.066 -16.750 10.771 1.00 0.00 C ATOM 915 CD1 LEU A 61 11.085 -16.508 11.922 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.471 -16.222 9.457 1.00 0.01 C ATOM 0 H LEU A 61 14.040 -18.315 10.245 1.00 0.01 H new ATOM 0 HA LEU A 61 13.979 -15.728 9.021 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.828 -16.467 11.987 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.221 -14.992 11.260 1.00 0.01 H new ATOM 0 HG LEU A 61 12.245 -17.820 10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.139 -17.004 11.704 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.502 -16.910 12.846 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.915 -15.437 12.036 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.527 -16.729 9.255 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.296 -15.150 9.542 1.00 0.01 H new ATOM 0 HD23 LEU A 61 12.167 -16.412 8.640 1.00 0.01 H new ATOM 928 N SER A 62 16.510 -16.303 11.051 1.00 0.00 N ATOM 929 CA SER A 62 17.830 -15.741 11.472 1.00 0.01 C ATOM 930 C SER A 62 18.645 -15.253 10.256 1.00 0.01 C ATOM 931 O SER A 62 18.940 -14.079 10.152 1.00 0.01 O ATOM 932 CB SER A 62 18.607 -16.807 12.264 1.00 0.01 C ATOM 933 OG SER A 62 18.444 -16.558 13.654 1.00 0.01 O ATOM 0 H SER A 62 16.306 -17.239 11.402 1.00 0.00 H new ATOM 0 HA SER A 62 17.657 -14.875 12.111 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.242 -17.803 12.014 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.664 -16.779 11.997 1.00 0.01 H new ATOM 0 HG SER A 62 18.934 -17.234 14.167 1.00 0.01 H new ATOM 939 N PRO A 63 19.023 -16.120 9.344 1.00 0.00 N ATOM 940 CA PRO A 63 19.821 -15.686 8.164 1.00 0.00 C ATOM 941 C PRO A 63 19.342 -14.356 7.555 1.00 0.01 C ATOM 942 O PRO A 63 20.078 -13.391 7.506 1.00 0.00 O ATOM 943 CB PRO A 63 19.629 -16.862 7.187 1.00 0.01 C ATOM 944 CG PRO A 63 18.968 -18.028 7.955 1.00 0.01 C ATOM 945 CD PRO A 63 18.704 -17.574 9.404 1.00 0.01 C ATOM 0 HA PRO A 63 20.861 -15.482 8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 63 19.005 -16.559 6.346 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.589 -17.174 6.775 1.00 0.01 H new ATOM 0 HG2 PRO A 63 18.034 -18.318 7.473 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.617 -18.904 7.945 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.671 -17.752 9.704 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.338 -18.100 10.117 1.00 0.01 H new ATOM 953 N LYS A 64 18.131 -14.301 7.075 1.00 0.01 N ATOM 954 CA LYS A 64 17.640 -13.038 6.452 1.00 0.01 C ATOM 955 C LYS A 64 17.373 -11.973 7.520 1.00 0.00 C ATOM 956 O LYS A 64 17.439 -10.790 7.248 1.00 0.00 O ATOM 957 CB LYS A 64 16.351 -13.307 5.677 1.00 0.00 C ATOM 958 CG LYS A 64 15.278 -13.831 6.629 1.00 0.01 C ATOM 959 CD LYS A 64 13.990 -14.087 5.848 1.00 0.01 C ATOM 960 CE LYS A 64 12.892 -14.556 6.804 1.00 0.01 C ATOM 961 NZ LYS A 64 11.566 -14.213 6.233 1.00 0.00 N ATOM 0 H LYS A 64 17.462 -15.071 7.086 1.00 0.01 H new ATOM 0 HA LYS A 64 18.410 -12.672 5.773 1.00 0.01 H new ATOM 0 HB2 LYS A 64 16.007 -12.392 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.536 -14.034 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.617 -14.751 7.106 1.00 0.01 H new ATOM 0 HG3 LYS A 64 15.097 -13.108 7.424 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.676 -13.177 5.337 1.00 0.01 H new ATOM 0 HD3 LYS A 64 14.163 -14.841 5.080 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.966 -15.632 6.961 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.015 -14.082 7.778 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 10.906 -15.002 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.199 -13.358 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.662 -14.039 5.212 1.00 0.00 H new ATOM 975 N ALA A 65 17.067 -12.365 8.728 1.00 0.00 N ATOM 976 CA ALA A 65 16.797 -11.340 9.774 1.00 0.01 C ATOM 977 C ALA A 65 17.981 -10.378 9.824 1.00 0.01 C ATOM 978 O ALA A 65 17.818 -9.175 9.782 1.00 0.01 O ATOM 979 CB ALA A 65 16.621 -12.016 11.137 1.00 0.01 C ATOM 0 H ALA A 65 16.993 -13.336 9.032 1.00 0.00 H new ATOM 0 HA ALA A 65 15.882 -10.798 9.535 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.424 -11.259 11.896 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.783 -12.712 11.093 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.530 -12.559 11.394 1.00 0.01 H new ATOM 985 N LYS A 66 19.174 -10.899 9.892 1.00 0.01 N ATOM 986 CA LYS A 66 20.366 -10.011 9.920 1.00 0.00 C ATOM 987 C LYS A 66 20.417 -9.209 8.622 1.00 0.01 C ATOM 988 O LYS A 66 20.711 -8.030 8.618 1.00 0.01 O ATOM 989 CB LYS A 66 21.628 -10.865 10.046 1.00 0.01 C ATOM 990 CG LYS A 66 21.680 -11.485 11.442 1.00 0.01 C ATOM 991 CD LYS A 66 22.940 -12.341 11.576 1.00 0.01 C ATOM 992 CE LYS A 66 22.988 -12.959 12.974 1.00 0.00 C ATOM 993 NZ LYS A 66 22.997 -11.873 13.995 1.00 0.00 N ATOM 0 H LYS A 66 19.374 -11.899 9.929 1.00 0.01 H new ATOM 0 HA LYS A 66 20.304 -9.330 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.629 -11.648 9.287 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.514 -10.253 9.874 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.678 -10.701 12.199 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.793 -12.096 11.613 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.942 -13.126 10.819 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.827 -11.731 11.405 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.126 -13.609 13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.878 -13.579 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.331 -12.253 14.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.632 -11.110 13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.034 -11.497 14.110 1.00 0.00 H new ATOM 1007 N LYS A 67 20.127 -9.839 7.514 1.00 0.00 N ATOM 1008 CA LYS A 67 20.153 -9.109 6.218 1.00 0.00 C ATOM 1009 C LYS A 67 19.055 -8.048 6.226 1.00 0.01 C ATOM 1010 O LYS A 67 19.273 -6.906 5.875 1.00 0.01 O ATOM 1011 CB LYS A 67 19.894 -10.087 5.070 1.00 0.00 C ATOM 1012 CG LYS A 67 20.910 -11.237 5.109 1.00 0.01 C ATOM 1013 CD LYS A 67 22.312 -10.722 4.754 1.00 0.00 C ATOM 1014 CE LYS A 67 23.217 -11.904 4.393 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.615 -12.674 3.266 1.00 0.01 N ATOM 0 H LYS A 67 19.874 -10.825 7.453 1.00 0.00 H new ATOM 0 HA LYS A 67 21.128 -8.641 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.882 -10.485 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.963 -9.564 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.921 -11.688 6.101 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.613 -12.017 4.408 1.00 0.01 H new ATOM 0 HD2 LYS A 67 22.254 -10.026 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.733 -10.173 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.207 -11.544 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.348 -12.552 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.371 -13.110 2.700 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 21.994 -13.417 3.646 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 22.059 -12.032 2.665 1.00 0.01 H new ATOM 1029 N ILE A 68 17.869 -8.419 6.632 1.00 0.01 N ATOM 1030 CA ILE A 68 16.753 -7.435 6.672 1.00 0.00 C ATOM 1031 C ILE A 68 17.013 -6.428 7.787 1.00 0.01 C ATOM 1032 O ILE A 68 16.820 -5.241 7.628 1.00 0.00 O ATOM 1033 CB ILE A 68 15.442 -8.163 6.961 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.147 -9.160 5.837 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.305 -7.145 7.060 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.977 -10.055 6.250 1.00 0.00 C ATOM 0 H ILE A 68 17.627 -9.362 6.937 1.00 0.01 H new ATOM 0 HA ILE A 68 16.687 -6.922 5.712 1.00 0.00 H new ATOM 0 HB ILE A 68 15.527 -8.703 7.904 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.906 -8.628 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.029 -9.766 5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.369 -7.664 7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.515 -6.442 7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.219 -6.603 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.764 -10.766 5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.237 -10.597 7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.096 -9.440 6.433 1.00 0.00 H new ATOM 1048 N TYR A 69 17.455 -6.900 8.919 1.00 0.00 N ATOM 1049 CA TYR A 69 17.733 -5.981 10.050 1.00 0.01 C ATOM 1050 C TYR A 69 18.800 -4.979 9.615 1.00 0.00 C ATOM 1051 O TYR A 69 18.661 -3.783 9.784 1.00 0.01 O ATOM 1052 CB TYR A 69 18.248 -6.792 11.240 1.00 0.01 C ATOM 1053 CG TYR A 69 18.523 -5.874 12.409 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.786 -5.287 12.562 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.513 -5.615 13.343 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.036 -4.439 13.649 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.764 -4.769 14.429 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.024 -4.181 14.583 1.00 0.01 C ATOM 1059 OH TYR A 69 19.269 -3.345 15.654 1.00 0.01 O ATOM 0 H TYR A 69 17.635 -7.886 9.107 1.00 0.00 H new ATOM 0 HA TYR A 69 16.824 -5.452 10.338 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.513 -7.545 11.523 1.00 0.01 H new ATOM 0 HB3 TYR A 69 19.158 -7.324 10.962 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.566 -5.488 11.843 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.540 -6.068 13.225 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.009 -3.984 13.767 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.984 -4.570 15.149 1.00 0.01 H new ATOM 0 HH TYR A 69 18.558 -2.673 15.714 1.00 0.01 H new ATOM 1069 N ASN A 70 19.869 -5.468 9.057 1.00 0.01 N ATOM 1070 CA ASN A 70 20.968 -4.574 8.603 1.00 0.00 C ATOM 1071 C ASN A 70 20.507 -3.704 7.430 1.00 0.00 C ATOM 1072 O ASN A 70 20.913 -2.570 7.286 1.00 0.01 O ATOM 1073 CB ASN A 70 22.163 -5.424 8.171 1.00 0.00 C ATOM 1074 CG ASN A 70 22.793 -6.074 9.406 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.697 -5.548 10.497 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.433 -7.203 9.282 1.00 0.01 N ATOM 0 H ASN A 70 20.031 -6.462 8.894 1.00 0.01 H new ATOM 0 HA ASN A 70 21.254 -3.921 9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.843 -6.191 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.898 -4.805 7.657 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.853 -7.644 10.100 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.514 -7.645 8.367 1.00 0.01 H new ATOM 1083 N GLU A 71 19.696 -4.244 6.567 1.00 0.00 N ATOM 1084 CA GLU A 71 19.245 -3.473 5.373 1.00 0.00 C ATOM 1085 C GLU A 71 18.199 -2.400 5.728 1.00 0.00 C ATOM 1086 O GLU A 71 18.111 -1.398 5.047 1.00 0.00 O ATOM 1087 CB GLU A 71 18.645 -4.444 4.354 1.00 0.00 C ATOM 1088 CG GLU A 71 18.272 -3.688 3.075 1.00 0.00 C ATOM 1089 CD GLU A 71 17.748 -4.677 2.033 1.00 0.00 C ATOM 1090 OE1 GLU A 71 17.867 -5.869 2.262 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.233 -4.225 1.024 1.00 0.00 O ATOM 0 H GLU A 71 19.323 -5.191 6.636 1.00 0.00 H new ATOM 0 HA GLU A 71 20.113 -2.959 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.361 -5.234 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.762 -4.926 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.513 -2.936 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.142 -3.160 2.685 1.00 0.00 H new ATOM 1098 N PHE A 72 17.377 -2.601 6.740 1.00 0.00 N ATOM 1099 CA PHE A 72 16.315 -1.571 7.055 1.00 0.00 C ATOM 1100 C PHE A 72 16.283 -1.177 8.538 1.00 0.00 C ATOM 1101 O PHE A 72 15.715 -0.159 8.880 1.00 0.00 O ATOM 1102 CB PHE A 72 14.942 -2.154 6.701 1.00 0.00 C ATOM 1103 CG PHE A 72 14.884 -2.502 5.232 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.481 -1.540 4.300 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.222 -3.792 4.807 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.418 -1.869 2.939 1.00 0.00 C ATOM 1107 CE2 PHE A 72 15.160 -4.120 3.449 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.759 -3.158 2.515 1.00 0.00 C ATOM 0 H PHE A 72 17.391 -3.416 7.353 1.00 0.00 H new ATOM 0 HA PHE A 72 16.552 -0.681 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.752 -3.044 7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.160 -1.434 6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.219 -0.545 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.531 -4.534 5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 72 14.106 -1.128 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.421 -5.115 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.713 -3.411 1.466 1.00 0.00 H new ATOM 1118 N ILE A 73 16.834 -1.964 9.431 1.00 0.00 N ATOM 1119 CA ILE A 73 16.753 -1.601 10.892 1.00 0.00 C ATOM 1120 C ILE A 73 18.073 -1.029 11.416 1.00 0.00 C ATOM 1121 O ILE A 73 18.074 -0.168 12.273 1.00 0.01 O ATOM 1122 CB ILE A 73 16.399 -2.851 11.692 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.110 -3.478 11.125 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.201 -2.479 13.164 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.942 -2.482 11.162 1.00 0.00 C ATOM 0 H ILE A 73 17.330 -2.830 9.222 1.00 0.00 H new ATOM 0 HA ILE A 73 15.988 -0.833 11.007 1.00 0.00 H new ATOM 0 HB ILE A 73 17.210 -3.576 11.616 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.282 -3.802 10.099 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.851 -4.367 11.701 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.948 -3.373 13.734 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.121 -2.046 13.557 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.393 -1.753 13.250 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.048 -2.955 10.755 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.755 -2.178 12.192 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.192 -1.605 10.565 1.00 0.00 H new ATOM 1137 N SER A 74 19.195 -1.485 10.939 1.00 0.01 N ATOM 1138 CA SER A 74 20.475 -0.928 11.468 1.00 0.00 C ATOM 1139 C SER A 74 20.518 0.574 11.214 1.00 0.00 C ATOM 1140 O SER A 74 20.217 1.044 10.136 1.00 0.01 O ATOM 1141 CB SER A 74 21.669 -1.586 10.783 1.00 0.00 C ATOM 1142 OG SER A 74 21.449 -1.619 9.379 1.00 0.01 O ATOM 0 H SER A 74 19.285 -2.204 10.221 1.00 0.01 H new ATOM 0 HA SER A 74 20.526 -1.128 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.581 -1.032 11.006 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.809 -2.598 11.164 1.00 0.00 H new ATOM 0 HG SER A 74 22.305 -1.733 8.916 1.00 0.01 H new ATOM 1148 N VAL A 75 20.907 1.332 12.199 1.00 0.01 N ATOM 1149 CA VAL A 75 20.989 2.802 12.016 1.00 0.01 C ATOM 1150 C VAL A 75 21.962 3.095 10.875 1.00 0.00 C ATOM 1151 O VAL A 75 22.058 4.205 10.391 1.00 0.00 O ATOM 1152 CB VAL A 75 21.483 3.450 13.309 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.490 3.157 14.436 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.849 2.871 13.681 1.00 0.00 C ATOM 0 H VAL A 75 21.172 0.994 13.124 1.00 0.01 H new ATOM 0 HA VAL A 75 20.007 3.209 11.774 1.00 0.01 H new ATOM 0 HB VAL A 75 21.569 4.527 13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.841 3.618 15.359 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.513 3.564 14.175 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.408 2.079 14.578 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.201 3.333 14.603 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.761 1.794 13.826 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.560 3.072 12.880 1.00 0.00 H new ATOM 1164 N GLN A 76 22.682 2.094 10.438 1.00 0.01 N ATOM 1165 CA GLN A 76 23.654 2.288 9.321 1.00 0.01 C ATOM 1166 C GLN A 76 22.983 1.895 8.006 1.00 0.01 C ATOM 1167 O GLN A 76 23.564 2.001 6.943 1.00 0.01 O ATOM 1168 CB GLN A 76 24.870 1.387 9.549 1.00 0.00 C ATOM 1169 CG GLN A 76 25.542 1.761 10.871 1.00 0.01 C ATOM 1170 CD GLN A 76 26.752 0.856 11.102 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.402 0.434 10.166 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.078 0.532 12.323 1.00 0.01 N ATOM 0 H GLN A 76 22.638 1.145 10.809 1.00 0.01 H new ATOM 0 HA GLN A 76 23.970 3.331 9.282 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.563 0.341 9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.576 1.496 8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.854 2.805 10.850 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.834 1.657 11.693 1.00 0.01 H new ATOM 0 HE21 GLN A 76 26.532 0.887 13.108 1.00 0.01 H new ATOM 0 HE22 GLN A 76 27.879 -0.076 12.493 1.00 0.01 H new ATOM 1181 N ALA A 77 21.760 1.446 8.070 1.00 0.01 N ATOM 1182 CA ALA A 77 21.044 1.052 6.827 1.00 0.00 C ATOM 1183 C ALA A 77 21.091 2.209 5.827 1.00 0.01 C ATOM 1184 O ALA A 77 20.994 3.362 6.195 1.00 0.00 O ATOM 1185 CB ALA A 77 19.588 0.719 7.159 1.00 0.00 C ATOM 0 H ALA A 77 21.226 1.335 8.932 1.00 0.01 H new ATOM 0 HA ALA A 77 21.524 0.175 6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.064 0.430 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.557 -0.105 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.105 1.594 7.594 1.00 0.00 H new ATOM 1191 N THR A 78 21.238 1.913 4.566 1.00 0.01 N ATOM 1192 CA THR A 78 21.288 3.001 3.548 1.00 0.01 C ATOM 1193 C THR A 78 19.903 3.637 3.423 1.00 0.01 C ATOM 1194 O THR A 78 19.756 4.741 2.941 1.00 0.00 O ATOM 1195 CB THR A 78 21.708 2.417 2.196 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.751 1.450 1.784 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.080 1.757 2.326 1.00 0.01 C ATOM 0 H THR A 78 21.326 0.967 4.196 1.00 0.01 H new ATOM 0 HA THR A 78 22.011 3.757 3.854 1.00 0.01 H new ATOM 0 HB THR A 78 21.762 3.215 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.016 1.076 0.918 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.377 1.342 1.363 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.812 2.500 2.643 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.031 0.958 3.066 1.00 0.01 H new ATOM 1205 N LYS A 79 18.884 2.940 3.854 1.00 0.00 N ATOM 1206 CA LYS A 79 17.497 3.486 3.770 1.00 0.00 C ATOM 1207 C LYS A 79 16.733 3.107 5.040 1.00 0.00 C ATOM 1208 O LYS A 79 16.053 2.102 5.100 1.00 0.00 O ATOM 1209 CB LYS A 79 16.796 2.908 2.532 1.00 0.00 C ATOM 1210 CG LYS A 79 17.145 1.424 2.376 1.00 0.00 C ATOM 1211 CD LYS A 79 16.447 0.867 1.135 1.00 0.01 C ATOM 1212 CE LYS A 79 16.826 -0.605 0.952 1.00 0.00 C ATOM 1213 NZ LYS A 79 18.240 -0.701 0.488 1.00 0.00 N ATOM 0 H LYS A 79 18.954 2.009 4.264 1.00 0.00 H new ATOM 0 HA LYS A 79 17.526 4.572 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.717 3.028 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.102 3.457 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.224 1.300 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.833 0.870 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.366 0.965 1.238 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.736 1.440 0.254 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.703 -1.143 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.162 -1.075 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.426 -1.663 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.401 -0.017 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.880 -0.490 1.280 1.00 0.00 H new ATOM 1227 N GLU A 80 16.845 3.914 6.058 1.00 0.00 N ATOM 1228 CA GLU A 80 16.137 3.620 7.335 1.00 0.00 C ATOM 1229 C GLU A 80 14.629 3.754 7.122 1.00 0.00 C ATOM 1230 O GLU A 80 14.164 4.643 6.437 1.00 0.00 O ATOM 1231 CB GLU A 80 16.590 4.611 8.409 1.00 0.00 C ATOM 1232 CG GLU A 80 18.052 4.343 8.770 1.00 0.00 C ATOM 1233 CD GLU A 80 18.508 5.334 9.842 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.693 6.138 10.264 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.666 5.275 10.222 1.00 0.01 O ATOM 0 H GLU A 80 17.400 4.770 6.060 1.00 0.00 H new ATOM 0 HA GLU A 80 16.371 2.605 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.476 5.633 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.962 4.515 9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.166 3.322 9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.679 4.438 7.883 1.00 0.00 H new ATOM 1242 N VAL A 81 13.860 2.876 7.707 1.00 0.00 N ATOM 1243 CA VAL A 81 12.377 2.943 7.550 1.00 0.00 C ATOM 1244 C VAL A 81 11.786 3.765 8.697 1.00 0.00 C ATOM 1245 O VAL A 81 12.408 3.948 9.725 1.00 0.00 O ATOM 1246 CB VAL A 81 11.803 1.524 7.591 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.038 0.833 6.244 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.500 0.733 8.698 1.00 0.00 C ATOM 0 H VAL A 81 14.197 2.110 8.291 1.00 0.00 H new ATOM 0 HA VAL A 81 12.126 3.412 6.598 1.00 0.00 H new ATOM 0 HB VAL A 81 10.732 1.569 7.789 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.628 -0.177 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.545 1.399 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.108 0.784 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.096 -0.279 8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.570 0.689 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.332 1.224 9.657 1.00 0.00 H new ATOM 1258 N ASN A 82 10.592 4.263 8.528 1.00 0.00 N ATOM 1259 CA ASN A 82 9.966 5.075 9.608 1.00 0.00 C ATOM 1260 C ASN A 82 9.479 4.155 10.729 1.00 0.00 C ATOM 1261 O ASN A 82 8.447 3.524 10.626 1.00 0.00 O ATOM 1262 CB ASN A 82 8.779 5.853 9.036 1.00 0.00 C ATOM 1263 CG ASN A 82 7.905 4.911 8.207 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.213 3.744 8.066 1.00 0.00 O ATOM 1265 ND2 ASN A 82 6.819 5.369 7.649 1.00 0.00 N ATOM 0 H ASN A 82 10.024 4.143 7.690 1.00 0.00 H new ATOM 0 HA ASN A 82 10.702 5.772 10.008 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.194 6.292 9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.134 6.676 8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.229 4.748 7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.559 6.348 7.767 1.00 0.00 H new ATOM 1272 N LEU A 83 10.215 4.087 11.807 1.00 0.00 N ATOM 1273 CA LEU A 83 9.807 3.225 12.956 1.00 0.00 C ATOM 1274 C LEU A 83 10.244 3.902 14.253 1.00 0.00 C ATOM 1275 O LEU A 83 11.154 4.708 14.267 1.00 0.00 O ATOM 1276 CB LEU A 83 10.487 1.851 12.855 1.00 0.01 C ATOM 1277 CG LEU A 83 9.919 1.034 11.680 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.748 -0.243 11.518 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.450 0.655 11.947 1.00 0.00 C ATOM 0 H LEU A 83 11.089 4.596 11.942 1.00 0.00 H new ATOM 0 HA LEU A 83 8.726 3.089 12.941 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.561 1.983 12.724 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.344 1.302 13.786 1.00 0.01 H new ATOM 0 HG LEU A 83 9.966 1.635 10.772 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.354 -0.830 10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.786 0.020 11.316 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.695 -0.830 12.435 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.065 0.078 11.106 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.388 0.057 12.856 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.857 1.561 12.067 1.00 0.00 H new ATOM 1291 N ASP A 84 9.609 3.584 15.345 1.00 0.01 N ATOM 1292 CA ASP A 84 9.994 4.210 16.637 1.00 0.00 C ATOM 1293 C ASP A 84 11.287 3.570 17.144 1.00 0.00 C ATOM 1294 O ASP A 84 11.753 2.580 16.615 1.00 0.00 O ATOM 1295 CB ASP A 84 8.873 4.007 17.659 1.00 0.00 C ATOM 1296 CG ASP A 84 8.777 2.528 18.030 1.00 0.01 C ATOM 1297 OD1 ASP A 84 9.418 1.732 17.368 1.00 0.01 O ATOM 1298 OD2 ASP A 84 8.066 2.216 18.971 1.00 0.00 O ATOM 0 H ASP A 84 8.839 2.917 15.398 1.00 0.01 H new ATOM 0 HA ASP A 84 10.154 5.279 16.494 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.068 4.604 18.550 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.925 4.351 17.246 1.00 0.00 H new ATOM 1303 N SER A 85 11.872 4.132 18.161 1.00 0.00 N ATOM 1304 CA SER A 85 13.139 3.568 18.702 1.00 0.01 C ATOM 1305 C SER A 85 12.870 2.228 19.390 1.00 0.01 C ATOM 1306 O SER A 85 13.765 1.432 19.579 1.00 0.00 O ATOM 1307 CB SER A 85 13.738 4.543 19.711 1.00 0.01 C ATOM 1308 OG SER A 85 14.920 3.975 20.256 1.00 0.00 O ATOM 0 H SER A 85 11.527 4.961 18.644 1.00 0.00 H new ATOM 0 HA SER A 85 13.837 3.412 17.879 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.965 5.493 19.228 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.020 4.752 20.504 1.00 0.01 H new ATOM 0 HG SER A 85 15.312 4.596 20.905 1.00 0.00 H new ATOM 1314 N CYS A 86 11.654 1.969 19.781 1.00 0.01 N ATOM 1315 CA CYS A 86 11.357 0.679 20.468 1.00 0.01 C ATOM 1316 C CYS A 86 11.184 -0.441 19.438 1.00 0.00 C ATOM 1317 O CYS A 86 11.705 -1.527 19.598 1.00 0.01 O ATOM 1318 CB CYS A 86 10.064 0.819 21.275 1.00 0.01 C ATOM 1319 SG CYS A 86 10.104 2.362 22.218 1.00 0.01 S ATOM 0 H CYS A 86 10.855 2.591 19.656 1.00 0.01 H new ATOM 0 HA CYS A 86 12.187 0.433 21.131 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.203 0.811 20.606 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.951 -0.029 21.950 1.00 0.01 H new ATOM 0 HG CYS A 86 9.005 2.482 22.901 1.00 0.01 H new ATOM 1325 N THR A 87 10.452 -0.192 18.391 1.00 0.00 N ATOM 1326 CA THR A 87 10.239 -1.249 17.360 1.00 0.00 C ATOM 1327 C THR A 87 11.583 -1.668 16.765 1.00 0.00 C ATOM 1328 O THR A 87 11.879 -2.840 16.645 1.00 0.01 O ATOM 1329 CB THR A 87 9.337 -0.708 16.248 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.118 -0.253 16.816 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.036 -1.815 15.236 1.00 0.00 C ATOM 0 H THR A 87 9.990 0.698 18.202 1.00 0.00 H new ATOM 0 HA THR A 87 9.764 -2.113 17.826 1.00 0.00 H new ATOM 0 HB THR A 87 9.844 0.114 15.743 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.062 0.722 16.732 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.394 -1.422 14.448 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.969 -2.173 14.800 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.531 -2.640 15.739 1.00 0.00 H new ATOM 1339 N ARG A 88 12.400 -0.725 16.387 1.00 0.01 N ATOM 1340 CA ARG A 88 13.715 -1.092 15.798 1.00 0.00 C ATOM 1341 C ARG A 88 14.510 -1.903 16.825 1.00 0.00 C ATOM 1342 O ARG A 88 15.032 -2.959 16.528 1.00 0.01 O ATOM 1343 CB ARG A 88 14.481 0.178 15.418 1.00 0.00 C ATOM 1344 CG ARG A 88 13.792 0.841 14.221 1.00 0.00 C ATOM 1345 CD ARG A 88 14.551 2.105 13.816 1.00 0.00 C ATOM 1346 NE ARG A 88 15.880 1.732 13.254 1.00 0.01 N ATOM 1347 CZ ARG A 88 16.554 2.593 12.542 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.060 3.778 12.310 1.00 0.00 N ATOM 1349 NH2 ARG A 88 17.721 2.267 12.056 1.00 0.01 N ATOM 0 H ARG A 88 12.215 0.276 16.460 1.00 0.01 H new ATOM 0 HA ARG A 88 13.567 -1.692 14.900 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.511 0.866 16.263 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.514 -0.066 15.169 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.753 0.146 13.382 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.762 1.091 14.476 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.977 2.665 13.078 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.680 2.756 14.680 1.00 0.00 H new ATOM 0 HE ARG A 88 16.263 0.803 13.426 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.146 4.032 12.685 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.588 4.450 11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.106 1.339 12.233 1.00 0.01 H new ATOM 0 HH22 ARG A 88 18.248 2.940 11.499 1.00 0.01 H new ATOM 1363 N GLU A 89 14.581 -1.428 18.039 1.00 0.01 N ATOM 1364 CA GLU A 89 15.314 -2.181 19.095 1.00 0.01 C ATOM 1365 C GLU A 89 14.643 -3.536 19.317 1.00 0.01 C ATOM 1366 O GLU A 89 15.295 -4.535 19.542 1.00 0.00 O ATOM 1367 CB GLU A 89 15.312 -1.379 20.397 1.00 0.01 C ATOM 1368 CG GLU A 89 16.219 -0.157 20.241 1.00 0.01 C ATOM 1369 CD GLU A 89 16.213 0.653 21.539 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.415 0.340 22.406 1.00 0.01 O ATOM 1371 OE2 GLU A 89 17.009 1.572 21.644 1.00 0.01 O ATOM 0 H GLU A 89 14.162 -0.550 18.345 1.00 0.01 H new ATOM 0 HA GLU A 89 16.344 -2.339 18.777 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.298 -1.064 20.642 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.660 -2.001 21.221 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.234 -0.473 20.002 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.874 0.462 19.412 1.00 0.01 H new ATOM 1378 N GLU A 90 13.340 -3.580 19.266 1.00 0.00 N ATOM 1379 CA GLU A 90 12.634 -4.872 19.487 1.00 0.01 C ATOM 1380 C GLU A 90 13.099 -5.882 18.439 1.00 0.01 C ATOM 1381 O GLU A 90 13.308 -7.041 18.738 1.00 0.01 O ATOM 1382 CB GLU A 90 11.122 -4.662 19.367 1.00 0.01 C ATOM 1383 CG GLU A 90 10.399 -5.983 19.643 1.00 0.00 C ATOM 1384 CD GLU A 90 8.886 -5.763 19.592 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.477 -4.619 19.479 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.163 -6.741 19.667 1.00 0.01 O ATOM 0 H GLU A 90 12.736 -2.779 19.081 1.00 0.00 H new ATOM 0 HA GLU A 90 12.862 -5.248 20.484 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.793 -3.900 20.074 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.872 -4.300 18.370 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.693 -6.730 18.906 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.687 -6.369 20.621 1.00 0.00 H new ATOM 1393 N THR A 91 13.279 -5.462 17.215 1.00 0.01 N ATOM 1394 CA THR A 91 13.747 -6.423 16.180 1.00 0.01 C ATOM 1395 C THR A 91 15.138 -6.908 16.573 1.00 0.01 C ATOM 1396 O THR A 91 15.456 -8.068 16.445 1.00 0.01 O ATOM 1397 CB THR A 91 13.825 -5.744 14.810 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.627 -5.019 14.569 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.996 -6.812 13.727 1.00 0.01 C ATOM 0 H THR A 91 13.124 -4.507 16.892 1.00 0.01 H new ATOM 0 HA THR A 91 13.047 -7.256 16.117 1.00 0.01 H new ATOM 0 HB THR A 91 14.673 -5.060 14.791 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.679 -4.583 13.693 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.052 -6.333 12.749 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.913 -7.372 13.910 1.00 0.01 H new ATOM 0 HG23 THR A 91 13.145 -7.492 13.749 1.00 0.01 H new ATOM 1407 N SER A 92 15.964 -6.016 17.059 1.00 0.01 N ATOM 1408 CA SER A 92 17.340 -6.410 17.471 1.00 0.01 C ATOM 1409 C SER A 92 17.245 -7.469 18.572 1.00 0.01 C ATOM 1410 O SER A 92 18.018 -8.406 18.623 1.00 0.00 O ATOM 1411 CB SER A 92 18.091 -5.186 17.997 1.00 0.01 C ATOM 1412 OG SER A 92 17.612 -4.856 19.295 1.00 0.01 O ATOM 0 H SER A 92 15.741 -5.029 17.187 1.00 0.01 H new ATOM 0 HA SER A 92 17.879 -6.816 16.615 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.161 -5.391 18.034 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.951 -4.342 17.321 1.00 0.01 H new ATOM 0 HG SER A 92 16.645 -4.701 19.257 1.00 0.01 H new ATOM 1418 N ARG A 93 16.301 -7.322 19.455 1.00 0.01 N ATOM 1419 CA ARG A 93 16.141 -8.310 20.557 1.00 0.01 C ATOM 1420 C ARG A 93 15.653 -9.643 19.986 1.00 0.01 C ATOM 1421 O ARG A 93 16.019 -10.704 20.448 1.00 0.01 O ATOM 1422 CB ARG A 93 15.119 -7.782 21.564 1.00 0.00 C ATOM 1423 CG ARG A 93 15.720 -6.591 22.314 1.00 0.01 C ATOM 1424 CD ARG A 93 14.716 -6.075 23.350 1.00 0.01 C ATOM 1425 NE ARG A 93 15.037 -4.653 23.703 1.00 0.00 N ATOM 1426 CZ ARG A 93 16.234 -4.297 24.087 1.00 0.01 C ATOM 1427 NH1 ARG A 93 17.134 -5.196 24.379 1.00 0.00 N ATOM 1428 NH2 ARG A 93 16.513 -3.032 24.239 1.00 0.01 N ATOM 0 H ARG A 93 15.628 -6.555 19.462 1.00 0.01 H new ATOM 0 HA ARG A 93 17.100 -8.460 21.053 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.207 -7.480 21.050 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.844 -8.568 22.267 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.646 -6.888 22.807 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.974 -5.797 21.612 1.00 0.01 H new ATOM 0 HD2 ARG A 93 13.703 -6.141 22.953 1.00 0.01 H new ATOM 0 HD3 ARG A 93 14.749 -6.698 24.244 1.00 0.01 H new ATOM 0 HE ARG A 93 14.303 -3.947 23.642 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.906 -6.188 24.308 1.00 0.00 H new ATOM 0 HH12 ARG A 93 18.065 -4.907 24.678 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.798 -2.327 24.058 1.00 0.01 H new ATOM 0 HH22 ARG A 93 17.446 -2.748 24.539 1.00 0.01 H new ATOM 1442 N ASN A 94 14.808 -9.591 18.993 1.00 0.01 N ATOM 1443 CA ASN A 94 14.269 -10.845 18.393 1.00 0.01 C ATOM 1444 C ASN A 94 15.395 -11.639 17.720 1.00 0.01 C ATOM 1445 O ASN A 94 15.267 -12.820 17.469 1.00 0.01 O ATOM 1446 CB ASN A 94 13.202 -10.486 17.354 1.00 0.01 C ATOM 1447 CG ASN A 94 11.961 -9.936 18.066 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.736 -10.222 19.225 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.145 -9.150 17.418 1.00 0.01 N ATOM 0 H ASN A 94 14.466 -8.729 18.569 1.00 0.01 H new ATOM 0 HA ASN A 94 13.830 -11.459 19.179 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.593 -9.745 16.657 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.938 -11.367 16.768 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.319 -8.776 17.885 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.334 -8.910 16.445 1.00 0.01 H new ATOM 1456 N MET A 95 16.496 -11.004 17.421 1.00 0.01 N ATOM 1457 CA MET A 95 17.618 -11.733 16.762 1.00 0.01 C ATOM 1458 C MET A 95 18.073 -12.874 17.671 1.00 0.01 C ATOM 1459 O MET A 95 18.429 -13.941 17.216 1.00 0.01 O ATOM 1460 CB MET A 95 18.782 -10.772 16.521 1.00 0.01 C ATOM 1461 CG MET A 95 18.251 -9.521 15.827 1.00 0.01 C ATOM 1462 SD MET A 95 17.488 -9.963 14.247 1.00 0.01 S ATOM 1463 CE MET A 95 18.936 -9.684 13.207 1.00 0.01 C ATOM 0 H MET A 95 16.667 -10.015 17.604 1.00 0.01 H new ATOM 0 HA MET A 95 17.284 -12.136 15.806 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.255 -10.507 17.467 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.545 -11.250 15.906 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.521 -9.023 16.466 1.00 0.01 H new ATOM 0 HG3 MET A 95 19.064 -8.814 15.662 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.615 -9.376 12.212 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.555 -8.902 13.647 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.514 -10.605 13.133 1.00 0.01 H new ATOM 1473 N LEU A 96 18.050 -12.659 18.960 1.00 0.01 N ATOM 1474 CA LEU A 96 18.459 -13.735 19.903 1.00 0.01 C ATOM 1475 C LEU A 96 17.403 -14.837 19.843 1.00 0.01 C ATOM 1476 O LEU A 96 17.682 -16.003 20.038 1.00 0.01 O ATOM 1477 CB LEU A 96 18.536 -13.180 21.328 1.00 0.01 C ATOM 1478 CG LEU A 96 19.768 -12.281 21.478 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.596 -10.997 20.653 1.00 0.01 C ATOM 1480 CD2 LEU A 96 19.945 -11.920 22.958 1.00 0.01 C ATOM 0 H LEU A 96 17.765 -11.783 19.399 1.00 0.01 H new ATOM 0 HA LEU A 96 19.439 -14.125 19.627 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.633 -12.613 21.555 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.586 -14.001 22.044 1.00 0.01 H new ATOM 0 HG LEU A 96 20.647 -12.813 21.116 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.479 -10.369 20.770 1.00 0.01 H new ATOM 0 HD12 LEU A 96 19.470 -11.254 19.601 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.717 -10.455 21.002 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.820 -11.280 23.074 1.00 0.01 H new ATOM 0 HD22 LEU A 96 19.060 -11.392 23.312 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.082 -12.831 23.541 1.00 0.01 H new ATOM 1492 N GLU A 97 16.184 -14.460 19.565 1.00 0.01 N ATOM 1493 CA GLU A 97 15.072 -15.451 19.473 1.00 0.01 C ATOM 1494 C GLU A 97 14.144 -15.036 18.326 1.00 0.01 C ATOM 1495 O GLU A 97 13.073 -14.510 18.554 1.00 0.01 O ATOM 1496 CB GLU A 97 14.283 -15.450 20.781 1.00 0.01 C ATOM 1497 CG GLU A 97 15.168 -15.969 21.913 1.00 0.01 C ATOM 1498 CD GLU A 97 14.314 -16.172 23.164 1.00 0.01 C ATOM 1499 OE1 GLU A 97 13.101 -16.126 23.041 1.00 0.01 O ATOM 1500 OE2 GLU A 97 14.885 -16.370 24.223 1.00 0.01 O ATOM 0 H GLU A 97 15.907 -13.493 19.395 1.00 0.01 H new ATOM 0 HA GLU A 97 15.474 -16.448 19.292 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.938 -14.441 21.009 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.396 -16.076 20.683 1.00 0.01 H new ATOM 0 HG2 GLU A 97 15.638 -16.909 21.622 1.00 0.01 H new ATOM 0 HG3 GLU A 97 15.971 -15.261 22.117 1.00 0.01 H new ATOM 1507 N PRO A 98 14.552 -15.257 17.098 1.00 0.01 N ATOM 1508 CA PRO A 98 13.715 -14.872 15.930 1.00 0.01 C ATOM 1509 C PRO A 98 12.392 -15.651 15.890 1.00 0.01 C ATOM 1510 O PRO A 98 12.374 -16.864 15.952 1.00 0.01 O ATOM 1511 CB PRO A 98 14.628 -15.224 14.734 1.00 0.00 C ATOM 1512 CG PRO A 98 16.006 -15.645 15.282 1.00 0.01 C ATOM 1513 CD PRO A 98 15.859 -15.899 16.791 1.00 0.01 C ATOM 0 HA PRO A 98 13.408 -13.826 15.946 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.190 -16.032 14.147 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.730 -14.366 14.069 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.359 -16.544 14.777 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.744 -14.865 15.097 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.853 -16.964 17.025 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.675 -15.452 17.359 1.00 0.01 H new ATOM 1521 N THR A 99 11.291 -14.952 15.786 1.00 0.01 N ATOM 1522 CA THR A 99 9.955 -15.625 15.741 1.00 0.01 C ATOM 1523 C THR A 99 9.164 -15.093 14.551 1.00 0.01 C ATOM 1524 O THR A 99 9.550 -14.130 13.916 1.00 0.01 O ATOM 1525 CB THR A 99 9.189 -15.325 17.031 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.010 -13.921 17.164 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.976 -15.859 18.228 1.00 0.00 C ATOM 0 H THR A 99 11.259 -13.934 15.730 1.00 0.01 H new ATOM 0 HA THR A 99 10.092 -16.702 15.641 1.00 0.01 H new ATOM 0 HB THR A 99 8.214 -15.810 16.994 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.053 -13.718 17.227 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.430 -15.645 19.147 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.107 -16.936 18.126 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.953 -15.377 18.266 1.00 0.00 H new ATOM 1535 N ILE A 100 8.061 -15.709 14.242 1.00 0.00 N ATOM 1536 CA ILE A 100 7.245 -15.241 13.092 1.00 0.01 C ATOM 1537 C ILE A 100 6.591 -13.901 13.443 1.00 0.01 C ATOM 1538 O ILE A 100 6.188 -13.150 12.578 1.00 0.01 O ATOM 1539 CB ILE A 100 6.169 -16.287 12.775 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.481 -15.942 11.446 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.123 -16.310 13.893 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.460 -16.079 10.271 1.00 0.01 C ATOM 0 H ILE A 100 7.688 -16.519 14.738 1.00 0.00 H new ATOM 0 HA ILE A 100 7.881 -15.107 12.217 1.00 0.01 H new ATOM 0 HB ILE A 100 6.641 -17.266 12.696 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.627 -16.602 11.292 1.00 0.01 H new ATOM 0 HG13 ILE A 100 5.094 -14.924 11.486 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.361 -17.055 13.663 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.605 -16.564 14.837 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.657 -15.328 13.976 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.949 -15.829 9.341 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.301 -15.401 10.417 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.826 -17.104 10.220 1.00 0.01 H new ATOM 1554 N THR A 101 6.488 -13.592 14.711 1.00 0.00 N ATOM 1555 CA THR A 101 5.860 -12.301 15.123 1.00 0.01 C ATOM 1556 C THR A 101 6.945 -11.238 15.307 1.00 0.01 C ATOM 1557 O THR A 101 6.675 -10.125 15.717 1.00 0.01 O ATOM 1558 CB THR A 101 5.112 -12.496 16.443 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.026 -12.917 17.447 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.029 -13.559 16.261 1.00 0.01 C ATOM 0 H THR A 101 6.812 -14.179 15.479 1.00 0.00 H new ATOM 0 HA THR A 101 5.161 -11.977 14.352 1.00 0.01 H new ATOM 0 HB THR A 101 4.651 -11.555 16.743 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.548 -13.041 18.293 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.495 -13.699 17.201 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.329 -13.237 15.490 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.490 -14.500 15.962 1.00 0.01 H new ATOM 1568 N CYS A 102 8.169 -11.575 15.020 1.00 0.00 N ATOM 1569 CA CYS A 102 9.278 -10.595 15.188 1.00 0.00 C ATOM 1570 C CYS A 102 9.030 -9.349 14.328 1.00 0.01 C ATOM 1571 O CYS A 102 9.060 -8.237 14.814 1.00 0.01 O ATOM 1572 CB CYS A 102 10.596 -11.252 14.763 1.00 0.00 C ATOM 1573 SG CYS A 102 11.887 -9.990 14.613 1.00 0.01 S ATOM 0 H CYS A 102 8.452 -12.492 14.674 1.00 0.00 H new ATOM 0 HA CYS A 102 9.329 -10.293 16.234 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.892 -12.003 15.495 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.466 -11.768 13.812 1.00 0.00 H new ATOM 0 HG CYS A 102 11.971 -9.601 13.376 1.00 0.01 H new ATOM 1579 N PHE A 103 8.808 -9.522 13.050 1.00 0.00 N ATOM 1580 CA PHE A 103 8.585 -8.339 12.158 1.00 0.01 C ATOM 1581 C PHE A 103 7.091 -8.043 12.000 1.00 0.01 C ATOM 1582 O PHE A 103 6.714 -7.051 11.408 1.00 0.00 O ATOM 1583 CB PHE A 103 9.183 -8.637 10.780 1.00 0.00 C ATOM 1584 CG PHE A 103 10.691 -8.576 10.854 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.409 -9.639 11.413 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.371 -7.458 10.357 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.806 -9.582 11.477 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.768 -7.401 10.421 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.486 -8.464 10.981 1.00 0.00 C ATOM 0 H PHE A 103 8.771 -10.429 12.584 1.00 0.00 H new ATOM 0 HA PHE A 103 9.065 -7.469 12.606 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.866 -9.623 10.441 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.816 -7.916 10.050 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.885 -10.503 11.795 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.817 -6.638 9.924 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.360 -10.402 11.910 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.292 -6.537 10.039 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.564 -8.421 11.030 1.00 0.00 H new ATOM 1599 N ASP A 104 6.230 -8.880 12.510 1.00 0.01 N ATOM 1600 CA ASP A 104 4.772 -8.603 12.359 1.00 0.01 C ATOM 1601 C ASP A 104 4.445 -7.275 13.038 1.00 0.00 C ATOM 1602 O ASP A 104 3.670 -6.483 12.539 1.00 0.01 O ATOM 1603 CB ASP A 104 3.953 -9.716 13.012 1.00 0.01 C ATOM 1604 CG ASP A 104 4.090 -10.998 12.187 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.663 -10.923 11.113 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.608 -12.025 12.634 1.00 0.00 O ATOM 0 H ASP A 104 6.467 -9.732 13.018 1.00 0.01 H new ATOM 0 HA ASP A 104 4.524 -8.555 11.299 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.299 -9.887 14.031 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.905 -9.422 13.076 1.00 0.01 H new ATOM 1611 N GLU A 105 5.035 -7.025 14.173 1.00 0.00 N ATOM 1612 CA GLU A 105 4.769 -5.749 14.886 1.00 0.00 C ATOM 1613 C GLU A 105 5.312 -4.589 14.048 1.00 0.00 C ATOM 1614 O GLU A 105 4.720 -3.529 13.982 1.00 0.01 O ATOM 1615 CB GLU A 105 5.459 -5.772 16.256 1.00 0.00 C ATOM 1616 CG GLU A 105 5.190 -4.458 17.000 1.00 0.00 C ATOM 1617 CD GLU A 105 5.868 -4.499 18.371 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.340 -5.561 18.743 1.00 0.00 O ATOM 1619 OE2 GLU A 105 5.900 -3.472 19.027 1.00 0.01 O ATOM 0 H GLU A 105 5.692 -7.652 14.637 1.00 0.00 H new ATOM 0 HA GLU A 105 3.696 -5.623 15.033 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.092 -6.614 16.843 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.532 -5.915 16.130 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.568 -3.616 16.421 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.117 -4.308 17.118 1.00 0.00 H new ATOM 1626 N ALA A 106 6.441 -4.777 13.421 1.00 0.00 N ATOM 1627 CA ALA A 106 7.032 -3.682 12.603 1.00 0.00 C ATOM 1628 C ALA A 106 6.177 -3.426 11.359 1.00 0.00 C ATOM 1629 O ALA A 106 5.832 -2.301 11.063 1.00 0.00 O ATOM 1630 CB ALA A 106 8.449 -4.076 12.181 1.00 0.00 C ATOM 0 H ALA A 106 6.980 -5.643 13.440 1.00 0.00 H new ATOM 0 HA ALA A 106 7.064 -2.770 13.199 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.886 -3.277 11.582 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.061 -4.240 13.068 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.412 -4.992 11.592 1.00 0.00 H new ATOM 1636 N GLN A 107 5.821 -4.449 10.633 1.00 0.00 N ATOM 1637 CA GLN A 107 4.980 -4.228 9.424 1.00 0.00 C ATOM 1638 C GLN A 107 3.669 -3.581 9.856 1.00 0.00 C ATOM 1639 O GLN A 107 3.151 -2.698 9.201 1.00 0.00 O ATOM 1640 CB GLN A 107 4.695 -5.552 8.715 1.00 0.00 C ATOM 1641 CG GLN A 107 3.945 -5.264 7.410 1.00 0.00 C ATOM 1642 CD GLN A 107 3.762 -6.556 6.612 1.00 0.00 C ATOM 1643 OE1 GLN A 107 3.168 -7.500 7.086 1.00 0.00 O ATOM 1644 NE2 GLN A 107 4.254 -6.634 5.406 1.00 0.00 N ATOM 0 H GLN A 107 6.073 -5.419 10.822 1.00 0.00 H new ATOM 0 HA GLN A 107 5.511 -3.578 8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.628 -6.076 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.100 -6.203 9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.973 -4.823 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.498 -4.536 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.754 -5.840 5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.139 -7.489 4.862 1.00 0.00 H new ATOM 1653 N LYS A 108 3.129 -4.015 10.959 1.00 0.00 N ATOM 1654 CA LYS A 108 1.854 -3.429 11.442 1.00 0.00 C ATOM 1655 C LYS A 108 2.064 -1.934 11.671 1.00 0.00 C ATOM 1656 O LYS A 108 1.221 -1.121 11.352 1.00 0.00 O ATOM 1657 CB LYS A 108 1.464 -4.093 12.762 1.00 0.00 C ATOM 1658 CG LYS A 108 0.149 -3.497 13.265 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.345 -4.286 14.483 1.00 0.01 C ATOM 1660 CE LYS A 108 0.690 -4.219 15.613 1.00 0.00 C ATOM 1661 NZ LYS A 108 1.288 -2.855 15.670 1.00 0.00 N ATOM 0 H LYS A 108 3.518 -4.752 11.547 1.00 0.00 H new ATOM 0 HA LYS A 108 1.064 -3.589 10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.358 -5.169 12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.250 -3.944 13.502 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.292 -2.450 13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.600 -3.525 12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.296 -3.880 14.827 1.00 0.01 H new ATOM 0 HD3 LYS A 108 -0.524 -5.325 14.205 1.00 0.01 H new ATOM 0 HE2 LYS A 108 0.218 -4.459 16.566 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.471 -4.962 15.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.594 -2.650 16.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.108 -2.809 15.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.580 -2.153 15.375 1.00 0.00 H new ATOM 1675 N LYS A 109 3.195 -1.562 12.205 1.00 0.01 N ATOM 1676 CA LYS A 109 3.462 -0.118 12.433 1.00 0.00 C ATOM 1677 C LYS A 109 3.511 0.587 11.081 1.00 0.00 C ATOM 1678 O LYS A 109 3.049 1.701 10.935 1.00 0.00 O ATOM 1679 CB LYS A 109 4.800 0.065 13.157 1.00 0.00 C ATOM 1680 CG LYS A 109 4.691 -0.431 14.607 1.00 0.00 C ATOM 1681 CD LYS A 109 4.013 0.625 15.491 1.00 0.01 C ATOM 1682 CE LYS A 109 4.144 0.213 16.957 1.00 0.00 C ATOM 1683 NZ LYS A 109 3.442 -1.084 17.168 1.00 0.01 N ATOM 0 H LYS A 109 3.942 -2.195 12.492 1.00 0.01 H new ATOM 0 HA LYS A 109 2.671 0.307 13.051 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.583 -0.485 12.635 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.087 1.116 13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.120 -1.359 14.637 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.684 -0.655 14.996 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.474 1.600 15.332 1.00 0.01 H new ATOM 0 HD3 LYS A 109 2.962 0.722 15.221 1.00 0.01 H new ATOM 0 HE2 LYS A 109 5.196 0.119 17.228 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.716 0.980 17.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.426 -1.309 18.183 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 2.467 -1.012 16.814 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.942 -1.837 16.654 1.00 0.01 H new ATOM 1697 N ILE A 110 4.063 -0.053 10.084 1.00 0.00 N ATOM 1698 CA ILE A 110 4.125 0.597 8.752 1.00 0.00 C ATOM 1699 C ILE A 110 2.699 0.743 8.222 1.00 0.00 C ATOM 1700 O ILE A 110 2.347 1.744 7.634 1.00 0.00 O ATOM 1701 CB ILE A 110 4.941 -0.236 7.764 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.383 -0.424 8.273 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.968 0.500 6.420 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.030 0.925 8.614 1.00 0.00 C ATOM 0 H ILE A 110 4.468 -0.988 10.137 1.00 0.00 H new ATOM 0 HA ILE A 110 4.608 1.569 8.856 1.00 0.00 H new ATOM 0 HB ILE A 110 4.484 -1.220 7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.380 -1.063 9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.976 -0.934 7.514 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.546 -0.079 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.949 0.623 6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.428 1.480 6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.047 0.761 8.971 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.055 1.552 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.449 1.421 9.391 1.00 0.00 H new ATOM 1716 N PHE A 111 1.873 -0.251 8.428 1.00 0.00 N ATOM 1717 CA PHE A 111 0.469 -0.164 7.938 1.00 0.00 C ATOM 1718 C PHE A 111 -0.143 1.153 8.427 1.00 0.00 C ATOM 1719 O PHE A 111 -0.632 1.941 7.647 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.343 -1.364 8.501 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.581 -2.407 7.423 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.502 -2.962 6.737 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.890 -2.809 7.111 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.280 -3.916 5.736 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.109 -3.762 6.111 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.027 -4.315 5.423 1.00 0.00 C ATOM 0 H PHE A 111 2.111 -1.116 8.913 1.00 0.00 H new ATOM 0 HA PHE A 111 0.447 -0.195 6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.195 -1.813 9.336 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.298 -1.012 8.890 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.509 -2.656 6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.727 -2.382 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.117 -4.345 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.116 -4.070 5.871 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.197 -5.050 4.650 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.122 1.397 9.706 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.716 2.658 10.228 1.00 0.00 C ATOM 1738 C ASN A 112 -0.006 3.867 9.620 1.00 0.00 C ATOM 1739 O ASN A 112 -0.627 4.857 9.290 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.578 2.692 11.750 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.523 1.657 12.363 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.471 1.235 11.729 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.305 1.225 13.574 1.00 0.00 N ATOM 0 H ASN A 112 0.280 0.780 10.412 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.771 2.695 9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.451 2.479 12.039 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.815 3.687 12.127 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.930 0.533 13.989 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -0.510 1.579 14.106 1.00 0.00 H new ATOM 1750 N LEU A 113 1.284 3.804 9.476 1.00 0.00 N ATOM 1751 CA LEU A 113 2.019 4.964 8.899 1.00 0.00 C ATOM 1752 C LEU A 113 1.500 5.279 7.489 1.00 0.00 C ATOM 1753 O LEU A 113 0.960 6.339 7.249 1.00 0.00 O ATOM 1754 CB LEU A 113 3.511 4.604 8.839 1.00 0.00 C ATOM 1755 CG LEU A 113 4.159 4.800 10.232 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.393 3.890 10.378 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.579 6.270 10.411 1.00 0.00 C ATOM 0 H LEU A 113 1.862 3.003 9.731 1.00 0.00 H new ATOM 0 HA LEU A 113 1.866 5.846 9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.631 3.570 8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.015 5.230 8.103 1.00 0.00 H new ATOM 0 HG LEU A 113 3.430 4.536 10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.839 4.037 11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.092 2.848 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.122 4.140 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.034 6.401 11.393 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.299 6.539 9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.702 6.912 10.329 1.00 0.00 H new ATOM 1769 N MET A 114 1.651 4.375 6.559 1.00 0.00 N ATOM 1770 CA MET A 114 1.162 4.645 5.171 1.00 0.00 C ATOM 1771 C MET A 114 -0.371 4.662 5.145 1.00 0.00 C ATOM 1772 O MET A 114 -0.992 5.464 4.461 1.00 0.00 O ATOM 1773 CB MET A 114 1.690 3.567 4.217 1.00 0.00 C ATOM 1774 CG MET A 114 1.142 2.192 4.612 1.00 0.00 C ATOM 1775 SD MET A 114 2.248 0.903 3.968 1.00 0.00 S ATOM 1776 CE MET A 114 1.065 0.012 2.921 1.00 0.00 C ATOM 0 H MET A 114 2.089 3.464 6.697 1.00 0.00 H new ATOM 0 HA MET A 114 1.529 5.619 4.849 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.397 3.802 3.194 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.780 3.552 4.241 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.066 2.115 5.697 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.137 2.059 4.212 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.581 -0.389 2.049 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.622 -0.806 3.488 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.280 0.695 2.596 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.002 3.786 5.872 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.484 3.783 5.849 1.00 0.00 C ATOM 1788 C GLU A 115 -2.989 5.167 6.223 1.00 0.00 C ATOM 1789 O GLU A 115 -3.661 5.798 5.456 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.035 2.751 6.838 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.566 2.761 6.795 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.111 1.655 7.702 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.314 0.871 8.192 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.315 1.608 7.888 1.00 0.01 O ATOM 0 H GLU A 115 -0.564 3.085 6.470 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.824 3.519 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.661 1.758 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.688 2.978 7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.943 3.731 7.120 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -4.912 2.611 5.772 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.667 5.647 7.387 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.149 7.000 7.789 1.00 0.00 C ATOM 1803 C LYS A 116 -2.449 8.090 6.969 1.00 0.01 C ATOM 1804 O LYS A 116 -3.058 9.066 6.577 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.864 7.209 9.272 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.778 6.297 10.089 1.00 0.00 C ATOM 1807 CD LYS A 116 -3.500 6.499 11.578 1.00 0.00 C ATOM 1808 CE LYS A 116 -4.415 5.584 12.392 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.225 4.174 11.951 1.00 0.00 N ATOM 0 H LYS A 116 -2.093 5.165 8.079 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.221 7.066 7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.819 6.987 9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -3.032 8.251 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.822 6.520 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.610 5.256 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.456 6.277 11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.669 7.540 11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.189 5.678 13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.455 5.881 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.253 3.545 12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.984 3.911 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.305 4.080 11.475 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.177 7.945 6.720 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.451 8.987 5.937 1.00 0.00 C ATOM 1825 C ASP A 117 -0.845 8.914 4.463 1.00 0.00 C ATOM 1826 O ASP A 117 -1.172 9.906 3.849 1.00 0.00 O ATOM 1827 CB ASP A 117 1.058 8.763 6.054 1.00 0.00 C ATOM 1828 CG ASP A 117 1.799 9.947 5.427 1.00 0.00 C ATOM 1829 OD1 ASP A 117 1.187 10.654 4.642 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.966 10.122 5.737 1.00 0.00 O ATOM 0 H ASP A 117 -0.610 7.153 7.023 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.716 9.966 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.341 8.657 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.339 7.837 5.552 1.00 0.00 H new ATOM 1835 N SER A 118 -0.792 7.748 3.879 1.00 0.00 N ATOM 1836 CA SER A 118 -1.133 7.629 2.436 1.00 0.00 C ATOM 1837 C SER A 118 -2.625 7.875 2.200 1.00 0.00 C ATOM 1838 O SER A 118 -2.989 8.559 1.272 1.00 0.01 O ATOM 1839 CB SER A 118 -0.768 6.233 1.922 1.00 0.00 C ATOM 1840 OG SER A 118 -1.792 5.314 2.277 1.00 0.00 O ATOM 0 H SER A 118 -0.528 6.876 4.338 1.00 0.00 H new ATOM 0 HA SER A 118 -0.562 8.384 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.643 6.254 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.184 5.915 2.347 1.00 0.00 H new ATOM 0 HG SER A 118 -1.756 5.141 3.241 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.498 7.323 3.006 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.966 7.550 2.743 1.00 0.00 C ATOM 1848 C TYR A 119 -5.272 9.044 2.721 1.00 0.01 C ATOM 1849 O TYR A 119 -5.844 9.560 1.785 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.835 6.904 3.834 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.126 5.466 3.476 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.126 4.651 2.932 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.411 4.959 3.673 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.417 3.330 2.589 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.700 3.638 3.332 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.705 2.824 2.790 1.00 0.00 C ATOM 1857 OH TYR A 119 -6.998 1.525 2.453 1.00 0.00 O ATOM 0 H TYR A 119 -3.275 6.741 3.813 1.00 0.01 H new ATOM 0 HA TYR A 119 -5.196 7.097 1.779 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.323 6.952 4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.768 7.457 3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.132 5.044 2.778 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -8.182 5.590 4.090 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.648 2.699 2.169 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.694 3.245 3.487 1.00 0.01 H new ATOM 0 HH TYR A 119 -7.644 1.516 1.716 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.914 9.739 3.750 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.219 11.188 3.783 1.00 0.01 C ATOM 1869 C ARG A 120 -4.545 11.845 2.584 1.00 0.00 C ATOM 1870 O ARG A 120 -5.120 12.689 1.925 1.00 0.00 O ATOM 1871 CB ARG A 120 -4.675 11.773 5.084 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.519 11.249 6.247 1.00 0.01 C ATOM 1873 CD ARG A 120 -4.955 11.761 7.569 1.00 0.00 C ATOM 1874 NE ARG A 120 -5.652 11.084 8.698 1.00 0.01 N ATOM 1875 CZ ARG A 120 -5.135 11.105 9.897 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -3.998 11.709 10.109 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -5.751 10.511 10.882 1.00 0.01 N ATOM 0 H ARG A 120 -4.426 9.372 4.567 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.294 11.364 3.737 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -3.631 11.491 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.710 12.862 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.553 11.574 6.133 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.525 10.159 6.242 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -3.884 11.567 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.087 12.841 7.640 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.536 10.602 8.534 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -3.512 12.166 9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.596 11.724 11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -6.635 10.031 10.715 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -5.348 10.527 11.819 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.352 11.441 2.264 1.00 0.00 N ATOM 1892 CA ARG A 121 -2.687 12.030 1.076 1.00 0.01 C ATOM 1893 C ARG A 121 -3.401 11.533 -0.184 1.00 0.01 C ATOM 1894 O ARG A 121 -3.639 12.288 -1.103 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.214 11.607 1.047 1.00 0.01 C ATOM 1896 CG ARG A 121 -0.457 12.306 2.185 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.398 13.830 1.946 1.00 0.00 C ATOM 1898 NE ARG A 121 0.948 14.346 2.347 1.00 0.01 N ATOM 1899 CZ ARG A 121 1.498 14.003 3.483 1.00 0.01 C ATOM 1900 NH1 ARG A 121 0.827 13.317 4.368 1.00 0.00 N ATOM 1901 NH2 ARG A 121 2.715 14.386 3.750 1.00 0.01 N ATOM 0 H ARG A 121 -2.814 10.736 2.768 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.738 13.118 1.121 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.133 10.525 1.153 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -0.769 11.867 0.087 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -0.949 12.101 3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.554 11.905 2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.586 14.052 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.177 14.330 2.522 1.00 0.00 H new ATOM 0 HE ARG A 121 1.447 14.978 1.721 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.137 13.043 4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.266 13.055 5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.232 14.949 3.075 1.00 0.01 H new ATOM 0 HH22 ARG A 121 3.150 14.122 4.634 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.765 10.273 -0.229 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.477 9.738 -1.430 1.00 0.01 C ATOM 1917 C PHE A 122 -5.835 10.427 -1.577 1.00 0.01 C ATOM 1918 O PHE A 122 -6.140 10.998 -2.598 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.693 8.207 -1.293 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.718 7.451 -2.168 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -3.844 7.528 -3.559 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.700 6.677 -1.599 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -2.956 6.837 -4.383 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.810 5.982 -2.426 1.00 0.01 C ATOM 1925 CZ PHE A 122 -1.940 6.064 -3.818 1.00 0.00 C ATOM 0 H PHE A 122 -3.599 9.594 0.514 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.867 9.935 -2.311 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.564 7.908 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.715 7.952 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.631 8.124 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.602 6.616 -0.525 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -3.054 6.900 -5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.024 5.383 -1.991 1.00 0.01 H new ATOM 0 HZ PHE A 122 -1.253 5.528 -4.456 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.654 10.360 -0.569 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.999 10.984 -0.669 1.00 0.00 C ATOM 1937 C LEU A 123 -7.835 12.457 -1.031 1.00 0.01 C ATOM 1938 O LEU A 123 -8.718 13.069 -1.599 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.715 10.838 0.677 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.854 9.343 1.016 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.377 9.188 2.447 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.819 8.658 0.030 1.00 0.01 C ATOM 0 H LEU A 123 -6.451 9.901 0.319 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.592 10.494 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.154 11.350 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.698 11.306 0.632 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.876 8.869 0.933 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.475 8.129 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -8.678 9.654 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.350 9.671 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.907 7.601 0.282 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.800 9.129 0.094 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.434 8.758 -0.985 1.00 0.01 H new ATOM 1954 N LYS A 124 -6.697 13.022 -0.724 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.439 14.454 -1.065 1.00 0.01 C ATOM 1956 C LYS A 124 -5.493 14.527 -2.270 1.00 0.01 C ATOM 1957 O LYS A 124 -5.169 15.595 -2.750 1.00 0.01 O ATOM 1958 CB LYS A 124 -5.798 15.133 0.143 1.00 0.01 C ATOM 1959 CG LYS A 124 -6.770 15.069 1.318 1.00 0.01 C ATOM 1960 CD LYS A 124 -6.153 15.742 2.543 1.00 0.01 C ATOM 1961 CE LYS A 124 -7.142 15.660 3.705 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.436 16.275 3.301 1.00 0.01 N ATOM 0 H LYS A 124 -5.929 12.550 -0.248 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.372 14.957 -1.317 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -4.862 14.638 0.401 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -5.557 16.170 -0.091 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -7.705 15.562 1.054 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.010 14.031 1.546 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -5.216 15.252 2.810 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -5.917 16.783 2.322 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -7.296 14.620 3.993 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -6.739 16.176 4.577 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.965 16.560 4.150 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.253 17.111 2.710 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.995 15.584 2.760 1.00 0.01 H new ATOM 1976 N SER A 125 -5.050 13.398 -2.766 1.00 0.00 N ATOM 1977 CA SER A 125 -4.128 13.407 -3.943 1.00 0.01 C ATOM 1978 C SER A 125 -4.914 13.676 -5.222 1.00 0.01 C ATOM 1979 O SER A 125 -6.109 13.469 -5.290 1.00 0.01 O ATOM 1980 CB SER A 125 -3.442 12.046 -4.089 1.00 0.01 C ATOM 1981 OG SER A 125 -4.433 11.045 -4.277 1.00 0.01 O ATOM 0 H SER A 125 -5.286 12.473 -2.408 1.00 0.00 H new ATOM 0 HA SER A 125 -3.385 14.188 -3.783 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.756 12.060 -4.936 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.849 11.826 -3.201 1.00 0.01 H new ATOM 0 HG SER A 125 -5.276 11.340 -3.874 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.235 14.115 -6.242 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.905 14.381 -7.541 1.00 0.01 C ATOM 1989 C ARG A 126 -5.319 13.051 -8.171 1.00 0.00 C ATOM 1990 O ARG A 126 -6.363 12.934 -8.781 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.917 15.085 -8.466 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.654 16.498 -7.949 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.617 17.175 -8.841 1.00 0.01 C ATOM 1994 NE ARG A 126 -1.357 16.384 -8.809 1.00 0.00 N ATOM 1995 CZ ARG A 126 -0.439 16.578 -9.712 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -0.621 17.471 -10.647 1.00 0.01 N ATOM 1997 NH2 ARG A 126 0.659 15.875 -9.680 1.00 0.01 N ATOM 0 H ARG A 126 -3.233 14.303 -6.230 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.785 15.006 -7.388 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.984 14.524 -8.513 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.316 15.125 -9.479 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.579 17.074 -7.945 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -3.297 16.461 -6.920 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.990 17.247 -9.863 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.431 18.192 -8.497 1.00 0.01 H new ATOM 0 HE ARG A 126 -1.212 15.688 -8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.482 18.017 -10.670 1.00 0.01 H new ATOM 0 HH12 ARG A 126 0.098 17.623 -11.354 1.00 0.01 H new ATOM 0 HH21 ARG A 126 0.796 15.176 -8.950 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.381 16.024 -10.385 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.487 12.048 -8.044 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.809 10.727 -8.653 1.00 0.01 C ATOM 2013 C PHE A 127 -6.112 10.185 -8.072 1.00 0.01 C ATOM 2014 O PHE A 127 -6.979 9.739 -8.789 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.696 9.721 -8.345 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.386 10.191 -8.931 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.130 10.022 -10.296 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.422 10.787 -8.107 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.914 10.448 -10.839 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.206 11.212 -8.649 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.051 11.043 -10.015 1.00 0.00 C ATOM 0 H PHE A 127 -3.599 12.090 -7.544 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.906 10.863 -9.730 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.596 9.598 -7.267 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.956 8.745 -8.754 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.873 9.562 -10.931 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.619 10.918 -7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.718 10.319 -11.893 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.537 11.671 -8.013 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.991 11.371 -10.433 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.260 10.205 -6.780 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.505 9.660 -6.179 1.00 0.01 C ATOM 2033 C TYR A 128 -8.707 10.434 -6.709 1.00 0.01 C ATOM 2034 O TYR A 128 -9.685 9.863 -7.145 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.447 9.810 -4.662 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.588 9.040 -4.049 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.467 7.661 -3.838 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.774 9.699 -3.710 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.533 6.941 -3.286 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.839 8.981 -3.154 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.719 7.602 -2.942 1.00 0.01 C ATOM 2042 OH TYR A 128 -11.770 6.893 -2.395 1.00 0.01 O ATOM 0 H TYR A 128 -5.577 10.573 -6.117 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.600 8.606 -6.442 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.495 9.438 -4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.511 10.862 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.551 7.153 -4.101 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.868 10.762 -3.877 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.441 5.877 -3.126 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.753 9.491 -2.888 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.516 7.502 -2.214 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.651 11.728 -6.680 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.804 12.515 -7.181 1.00 0.01 C ATOM 2054 C LEU A 129 -10.041 12.169 -8.651 1.00 0.01 C ATOM 2055 O LEU A 129 -11.141 11.838 -9.049 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.485 14.004 -7.050 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.239 14.349 -5.574 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.746 15.796 -5.467 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.538 14.179 -4.765 1.00 0.01 C ATOM 0 H LEU A 129 -7.863 12.275 -6.334 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.698 12.281 -6.602 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.605 14.251 -7.644 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.311 14.599 -7.441 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.484 13.675 -5.169 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.570 16.044 -4.420 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.817 15.906 -6.027 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.499 16.468 -5.878 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.351 14.426 -3.720 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.305 14.844 -5.164 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.879 13.146 -4.838 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.021 12.224 -9.460 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.198 11.880 -10.898 1.00 0.91 C ATOM 2073 C ASP A 130 -9.559 10.401 -11.043 1.00 1.05 C ATOM 2074 O ASP A 130 -10.425 10.037 -11.813 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.899 12.165 -11.653 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.678 13.676 -11.737 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.654 14.404 -11.646 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -6.537 14.080 -11.892 1.00 3.36 O ATOM 0 H ASP A 130 -8.075 12.491 -9.189 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.004 12.485 -11.313 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.059 11.692 -11.144 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.947 11.738 -12.655 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.900 9.543 -10.314 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.204 8.088 -10.422 1.00 1.68 C ATOM 2085 C LEU A 131 -10.581 7.807 -9.817 1.00 2.00 C ATOM 2086 O LEU A 131 -11.341 7.009 -10.331 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.145 7.278 -9.665 1.00 2.07 C ATOM 2088 CG LEU A 131 -6.793 7.347 -10.397 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -5.708 6.744 -9.496 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -6.855 6.570 -11.728 1.00 3.54 C ATOM 0 H LEU A 131 -8.165 9.786 -9.649 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.198 7.799 -11.473 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.037 7.665 -8.652 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.466 6.240 -9.577 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.559 8.388 -10.618 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -4.746 6.788 -10.006 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -5.652 7.309 -8.566 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -5.954 5.705 -9.275 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -5.890 6.631 -12.230 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.095 5.526 -11.529 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.624 7.004 -12.367 1.00 3.54 H new ATOM 2102 N THR A 132 -10.904 8.453 -8.724 1.00 2.68 N ATOM 2103 CA THR A 132 -12.228 8.229 -8.069 1.00 3.30 C ATOM 2104 C THR A 132 -13.156 9.400 -8.385 1.00 3.72 C ATOM 2105 O THR A 132 -13.428 10.241 -7.553 1.00 3.94 O ATOM 2106 CB THR A 132 -12.035 8.119 -6.549 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.895 9.422 -5.999 1.00 4.04 O ATOM 2108 CG2 THR A 132 -10.775 7.294 -6.219 1.00 4.63 C ATOM 0 H THR A 132 -10.303 9.130 -8.255 1.00 2.68 H new ATOM 0 HA THR A 132 -12.669 7.306 -8.445 1.00 3.30 H new ATOM 0 HB THR A 132 -12.905 7.620 -6.121 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.324 9.382 -5.204 1.00 4.04 H new ATOM 0 HG21 THR A 132 -10.656 7.228 -5.137 1.00 4.63 H new ATOM 0 HG22 THR A 132 -10.877 6.292 -6.635 1.00 4.63 H new ATOM 0 HG23 THR A 132 -9.899 7.778 -6.651 1.00 4.63 H new