USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 975 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 127 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.05) USER MOD Set 1.2: A 129 HIS : no HD1:sc= 0 X(o=-0.094,f=-0.12) USER MOD Set 2.1: A 23 CYS SG : rot -54:sc= -6.79! USER MOD Set 2.2: A 97 CYS SG : rot -156:sc= 0.0838 USER MOD Set 3.1: A 77 LYS NZ :NH3+ -178:sc= 0.885 (180deg=-0.213) USER MOD Set 3.2: A 81 TYR OH : rot 90:sc= 0.979 USER MOD Set 4.1: A 75 ASN : amide:sc= 0.226 K(o=0.65,f=-2) USER MOD Set 4.2: A 78 ASN : amide:sc= 0.421 K(o=0.65,f=-0.68) USER MOD Set 5.1: A 32 SER OG : rot 110:sc= -0.0874 USER MOD Set 5.2: A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 14 GLN : amide:sc= -0.886 K(o=-1.2,f=-2.1!) USER MOD Set 6.2: A 126 HIS : no HD1:sc= -0.325 X(o=-1.2,f=-1.6) USER MOD Set 7.1: A 8 SER OG : rot 180:sc= 0.545 USER MOD Set 7.2: A 22 SER OG : rot 55:sc= 0.603 USER MOD Set 8.1: A 4 GLN : amide:sc= -0.404 X(o=0.064,f=0.43) USER MOD Set 8.2: A 26 SER OG : rot -50:sc= 0.468 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.03 (180deg=0.66) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 36:sc= 0.0217 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.411 K(o=0.41,f=-5.9!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.107 USER MOD Single : A 58 SER OG : rot 52:sc= 0.0663 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 83 GLN : amide:sc= 0.131 K(o=0.13,f=-2.8!) USER MOD Single : A 84 MET CE :methyl 146:sc= -0.769 (180deg=-1.49) USER MOD Single : A 85 ASN : amide:sc= -0.721 K(o=-0.72,f=-4.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= -1.52 (180deg=-3.89!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 20:sc= 0.451 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -72:sc= 0.347 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.9!) USER MOD Single : A 117 THR OG1 : rot -100:sc= -0.173 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.561 F(o=-2.5,f=-0.56) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -50:sc= -0.952 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.088) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.705 1.645 -1.537 1.00 0.00 N ATOM 2 CA MET A 1 -1.519 2.279 -2.154 1.00 0.00 C ATOM 3 C MET A 1 -1.828 2.679 -3.606 1.00 0.00 C ATOM 4 O MET A 1 -2.073 1.813 -4.461 1.00 0.00 O ATOM 5 CB MET A 1 -0.285 1.331 -2.103 1.00 0.00 C ATOM 6 CG MET A 1 0.302 1.112 -0.702 1.00 0.00 C ATOM 7 SD MET A 1 -0.902 0.440 0.462 1.00 0.00 S ATOM 8 CE MET A 1 0.097 0.235 1.932 1.00 0.00 C ATOM 0 H1 MET A 1 -2.404 1.045 -0.743 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.351 2.382 -1.189 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.195 1.062 -2.245 1.00 0.00 H new ATOM 0 HA MET A 1 -1.277 3.176 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.570 0.364 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.494 1.737 -2.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.152 0.433 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.681 2.060 -0.319 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.517 -0.173 2.735 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.919 -0.448 1.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.498 1.202 2.237 1.00 0.00 H new ATOM 20 N GLN A 2 -1.848 3.994 -3.866 1.00 0.00 N ATOM 21 CA GLN A 2 -1.913 4.543 -5.228 1.00 0.00 C ATOM 22 C GLN A 2 -0.512 4.537 -5.858 1.00 0.00 C ATOM 23 O GLN A 2 0.499 4.495 -5.141 1.00 0.00 O ATOM 24 CB GLN A 2 -2.465 5.987 -5.212 1.00 0.00 C ATOM 25 CG GLN A 2 -3.904 6.124 -4.698 1.00 0.00 C ATOM 26 CD GLN A 2 -4.366 7.579 -4.656 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.911 8.104 -5.628 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.150 8.242 -3.532 1.00 0.00 N ATOM 0 H GLN A 2 -1.820 4.707 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.584 3.919 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.813 6.602 -4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.416 6.390 -6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.573 5.551 -5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.974 5.694 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.696 7.778 -2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.437 9.217 -3.452 1.00 0.00 H new ATOM 37 N LEU A 3 -0.458 4.580 -7.195 1.00 0.00 N ATOM 38 CA LEU A 3 0.810 4.681 -7.924 1.00 0.00 C ATOM 39 C LEU A 3 1.388 6.103 -7.790 1.00 0.00 C ATOM 40 O LEU A 3 0.769 7.078 -8.228 1.00 0.00 O ATOM 41 CB LEU A 3 0.634 4.251 -9.416 1.00 0.00 C ATOM 42 CG LEU A 3 0.939 2.755 -9.722 1.00 0.00 C ATOM 43 CD1 LEU A 3 2.382 2.410 -9.303 1.00 0.00 C ATOM 44 CD2 LEU A 3 -0.092 1.810 -9.067 1.00 0.00 C ATOM 0 H LEU A 3 -1.282 4.546 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 3 1.528 3.991 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.391 4.464 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.284 4.870 -10.034 1.00 0.00 H new ATOM 0 HG LEU A 3 0.852 2.604 -10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.584 1.361 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.081 3.037 -9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.503 2.587 -8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.158 0.776 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.075 1.947 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.088 2.039 -9.446 1.00 0.00 H new ATOM 56 N GLN A 4 2.568 6.200 -7.156 1.00 0.00 N ATOM 57 CA GLN A 4 3.251 7.478 -6.907 1.00 0.00 C ATOM 58 C GLN A 4 4.216 7.777 -8.066 1.00 0.00 C ATOM 59 O GLN A 4 5.225 7.083 -8.222 1.00 0.00 O ATOM 60 CB GLN A 4 4.024 7.418 -5.557 1.00 0.00 C ATOM 61 CG GLN A 4 3.190 6.937 -4.351 1.00 0.00 C ATOM 62 CD GLN A 4 3.952 6.894 -3.014 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.675 6.048 -2.159 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.886 7.809 -2.801 1.00 0.00 N ATOM 0 H GLN A 4 3.076 5.390 -6.801 1.00 0.00 H new ATOM 0 HA GLN A 4 2.512 8.277 -6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.881 6.755 -5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.417 8.410 -5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.327 7.593 -4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.807 5.940 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.098 8.499 -3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.393 7.824 -1.916 1.00 0.00 H new ATOM 73 N LEU A 5 3.879 8.775 -8.901 1.00 0.00 N ATOM 74 CA LEU A 5 4.735 9.228 -10.015 1.00 0.00 C ATOM 75 C LEU A 5 5.108 10.702 -9.781 1.00 0.00 C ATOM 76 O LEU A 5 4.223 11.564 -9.695 1.00 0.00 O ATOM 77 CB LEU A 5 4.036 9.048 -11.408 1.00 0.00 C ATOM 78 CG LEU A 5 3.632 7.589 -11.846 1.00 0.00 C ATOM 79 CD1 LEU A 5 2.361 7.093 -11.131 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.459 7.475 -13.380 1.00 0.00 C ATOM 0 H LEU A 5 3.003 9.293 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 5 5.634 8.612 -10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.134 9.660 -11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.700 9.455 -12.171 1.00 0.00 H new ATOM 0 HG LEU A 5 4.458 6.945 -11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.125 6.083 -11.467 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.528 7.087 -10.054 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.529 7.757 -11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.181 6.454 -13.640 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.677 8.159 -13.710 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.397 7.732 -13.872 1.00 0.00 H new ATOM 92 N VAL A 6 6.416 10.986 -9.656 1.00 0.00 N ATOM 93 CA VAL A 6 6.935 12.345 -9.431 1.00 0.00 C ATOM 94 C VAL A 6 7.395 12.914 -10.773 1.00 0.00 C ATOM 95 O VAL A 6 8.488 12.610 -11.262 1.00 0.00 O ATOM 96 CB VAL A 6 8.126 12.358 -8.400 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.699 13.785 -8.186 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.692 11.737 -7.061 1.00 0.00 C ATOM 0 H VAL A 6 7.146 10.275 -9.709 1.00 0.00 H new ATOM 0 HA VAL A 6 6.140 12.958 -9.006 1.00 0.00 H new ATOM 0 HB VAL A 6 8.926 11.751 -8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.518 13.744 -7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.068 14.175 -9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.914 14.439 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.529 11.756 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.861 12.309 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.378 10.706 -7.223 1.00 0.00 H new ATOM 108 N GLU A 7 6.554 13.759 -11.348 1.00 0.00 N ATOM 109 CA GLU A 7 6.760 14.313 -12.679 1.00 0.00 C ATOM 110 C GLU A 7 7.502 15.653 -12.579 1.00 0.00 C ATOM 111 O GLU A 7 7.168 16.495 -11.735 1.00 0.00 O ATOM 112 CB GLU A 7 5.397 14.478 -13.365 1.00 0.00 C ATOM 113 CG GLU A 7 4.601 13.165 -13.502 1.00 0.00 C ATOM 114 CD GLU A 7 3.206 13.375 -14.084 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.225 12.801 -13.557 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.081 14.113 -15.079 1.00 0.00 O ATOM 0 H GLU A 7 5.698 14.084 -10.899 1.00 0.00 H new ATOM 0 HA GLU A 7 7.373 13.639 -13.277 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.801 15.195 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.550 14.903 -14.357 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.155 12.475 -14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.514 12.695 -12.522 1.00 0.00 H new ATOM 123 N SER A 8 8.496 15.828 -13.454 1.00 0.00 N ATOM 124 CA SER A 8 9.401 16.983 -13.460 1.00 0.00 C ATOM 125 C SER A 8 9.841 17.289 -14.899 1.00 0.00 C ATOM 126 O SER A 8 9.655 16.466 -15.807 1.00 0.00 O ATOM 127 CB SER A 8 10.608 16.684 -12.535 1.00 0.00 C ATOM 128 OG SER A 8 11.161 15.403 -12.798 1.00 0.00 O ATOM 0 H SER A 8 8.699 15.157 -14.194 1.00 0.00 H new ATOM 0 HA SER A 8 8.892 17.868 -13.079 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.373 17.447 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.291 16.738 -11.493 1.00 0.00 H new ATOM 0 HG SER A 8 11.921 15.246 -12.199 1.00 0.00 H new ATOM 134 N GLY A 9 10.412 18.485 -15.095 1.00 0.00 N ATOM 135 CA GLY A 9 10.790 18.984 -16.420 1.00 0.00 C ATOM 136 C GLY A 9 9.845 20.086 -16.893 1.00 0.00 C ATOM 137 O GLY A 9 10.238 20.939 -17.693 1.00 0.00 O ATOM 0 H GLY A 9 10.624 19.133 -14.337 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.810 19.367 -16.388 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.780 18.162 -17.136 1.00 0.00 H new ATOM 141 N GLY A 10 8.602 20.077 -16.358 1.00 0.00 N ATOM 142 CA GLY A 10 7.562 21.038 -16.735 1.00 0.00 C ATOM 143 C GLY A 10 7.916 22.478 -16.375 1.00 0.00 C ATOM 144 O GLY A 10 8.316 22.762 -15.238 1.00 0.00 O ATOM 0 H GLY A 10 8.301 19.402 -15.655 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.387 20.971 -17.809 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.629 20.766 -16.242 1.00 0.00 H new ATOM 148 N GLY A 11 7.795 23.367 -17.365 1.00 0.00 N ATOM 149 CA GLY A 11 8.116 24.779 -17.219 1.00 0.00 C ATOM 150 C GLY A 11 7.877 25.538 -18.505 1.00 0.00 C ATOM 151 O GLY A 11 7.347 24.979 -19.481 1.00 0.00 O ATOM 0 H GLY A 11 7.467 23.118 -18.298 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.510 25.211 -16.423 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.159 24.887 -16.920 1.00 0.00 H new ATOM 155 N LEU A 12 8.258 26.817 -18.507 1.00 0.00 N ATOM 156 CA LEU A 12 8.121 27.684 -19.667 1.00 0.00 C ATOM 157 C LEU A 12 9.243 27.384 -20.682 1.00 0.00 C ATOM 158 O LEU A 12 10.428 27.537 -20.373 1.00 0.00 O ATOM 159 CB LEU A 12 8.146 29.169 -19.251 1.00 0.00 C ATOM 160 CG LEU A 12 7.667 30.183 -20.337 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.133 30.193 -20.449 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.217 31.608 -20.107 1.00 0.00 C ATOM 0 H LEU A 12 8.672 27.278 -17.697 1.00 0.00 H new ATOM 0 HA LEU A 12 7.158 27.486 -20.137 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.521 29.290 -18.366 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.164 29.429 -18.961 1.00 0.00 H new ATOM 0 HG LEU A 12 8.078 29.839 -21.286 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.829 30.908 -21.213 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.782 29.198 -20.723 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.700 30.480 -19.491 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.852 32.270 -20.892 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.882 31.975 -19.137 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.307 31.586 -20.130 1.00 0.00 H new ATOM 174 N VAL A 13 8.850 26.923 -21.873 1.00 0.00 N ATOM 175 CA VAL A 13 9.766 26.590 -22.983 1.00 0.00 C ATOM 176 C VAL A 13 9.288 27.281 -24.272 1.00 0.00 C ATOM 177 O VAL A 13 8.154 27.726 -24.342 1.00 0.00 O ATOM 178 CB VAL A 13 9.876 25.029 -23.188 1.00 0.00 C ATOM 179 CG1 VAL A 13 10.751 24.374 -22.090 1.00 0.00 C ATOM 180 CG2 VAL A 13 8.469 24.380 -23.223 1.00 0.00 C ATOM 0 H VAL A 13 7.869 26.766 -22.103 1.00 0.00 H new ATOM 0 HA VAL A 13 10.762 26.954 -22.733 1.00 0.00 H new ATOM 0 HB VAL A 13 10.362 24.855 -24.148 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.806 23.299 -22.261 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.755 24.798 -22.123 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.309 24.563 -21.112 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.568 23.304 -23.365 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.954 24.576 -22.282 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.893 24.803 -24.046 1.00 0.00 H new ATOM 190 N GLN A 14 10.162 27.381 -25.284 1.00 0.00 N ATOM 191 CA GLN A 14 9.850 28.089 -26.545 1.00 0.00 C ATOM 192 C GLN A 14 9.308 27.120 -27.615 1.00 0.00 C ATOM 193 O GLN A 14 9.706 25.943 -27.670 1.00 0.00 O ATOM 194 CB GLN A 14 11.104 28.869 -27.046 1.00 0.00 C ATOM 195 CG GLN A 14 12.341 28.022 -27.459 1.00 0.00 C ATOM 196 CD GLN A 14 12.530 27.880 -28.973 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.160 28.715 -29.620 1.00 0.00 O ATOM 198 NE2 GLN A 14 11.984 26.831 -29.541 1.00 0.00 N ATOM 0 H GLN A 14 11.099 26.979 -25.258 1.00 0.00 H new ATOM 0 HA GLN A 14 9.059 28.813 -26.351 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.807 29.475 -27.902 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.412 29.558 -26.259 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.236 28.476 -27.034 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.249 27.028 -27.021 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.468 26.156 -28.977 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.076 26.690 -30.547 1.00 0.00 H new ATOM 207 N ALA A 15 8.368 27.634 -28.439 1.00 0.00 N ATOM 208 CA ALA A 15 7.774 26.910 -29.576 1.00 0.00 C ATOM 209 C ALA A 15 8.848 26.522 -30.603 1.00 0.00 C ATOM 210 O ALA A 15 9.629 27.368 -31.037 1.00 0.00 O ATOM 211 CB ALA A 15 6.674 27.764 -30.226 1.00 0.00 C ATOM 0 H ALA A 15 7.998 28.578 -28.328 1.00 0.00 H new ATOM 0 HA ALA A 15 7.325 25.988 -29.205 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.240 27.221 -31.066 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.897 27.977 -29.492 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.103 28.700 -30.582 1.00 0.00 H new ATOM 217 N GLY A 16 8.886 25.234 -30.951 1.00 0.00 N ATOM 218 CA GLY A 16 9.904 24.675 -31.840 1.00 0.00 C ATOM 219 C GLY A 16 11.119 24.164 -31.078 1.00 0.00 C ATOM 220 O GLY A 16 12.163 23.878 -31.673 1.00 0.00 O ATOM 0 H GLY A 16 8.208 24.547 -30.622 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.470 23.859 -32.417 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.219 25.437 -32.553 1.00 0.00 H new ATOM 224 N GLY A 17 10.980 24.076 -29.745 1.00 0.00 N ATOM 225 CA GLY A 17 12.035 23.579 -28.870 1.00 0.00 C ATOM 226 C GLY A 17 11.919 22.088 -28.626 1.00 0.00 C ATOM 227 O GLY A 17 11.181 21.380 -29.338 1.00 0.00 O ATOM 0 H GLY A 17 10.130 24.349 -29.251 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.006 23.799 -29.313 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.993 24.106 -27.917 1.00 0.00 H new ATOM 231 N SER A 18 12.660 21.611 -27.627 1.00 0.00 N ATOM 232 CA SER A 18 12.576 20.236 -27.151 1.00 0.00 C ATOM 233 C SER A 18 12.707 20.224 -25.620 1.00 0.00 C ATOM 234 O SER A 18 13.629 20.833 -25.070 1.00 0.00 O ATOM 235 CB SER A 18 13.666 19.362 -27.816 1.00 0.00 C ATOM 236 OG SER A 18 14.969 19.889 -27.610 1.00 0.00 O ATOM 0 H SER A 18 13.342 22.176 -27.122 1.00 0.00 H new ATOM 0 HA SER A 18 11.609 19.813 -27.425 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.616 18.351 -27.413 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.469 19.289 -28.886 1.00 0.00 H new ATOM 0 HG SER A 18 15.021 20.294 -26.719 1.00 0.00 H new ATOM 242 N LEU A 19 11.781 19.527 -24.943 1.00 0.00 N ATOM 243 CA LEU A 19 11.749 19.424 -23.482 1.00 0.00 C ATOM 244 C LEU A 19 11.635 17.949 -23.088 1.00 0.00 C ATOM 245 O LEU A 19 10.708 17.258 -23.526 1.00 0.00 O ATOM 246 CB LEU A 19 10.557 20.239 -22.908 1.00 0.00 C ATOM 247 CG LEU A 19 10.411 20.224 -21.353 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.670 20.796 -20.660 1.00 0.00 C ATOM 249 CD2 LEU A 19 9.133 20.965 -20.905 1.00 0.00 C ATOM 0 H LEU A 19 11.028 19.015 -25.402 1.00 0.00 H new ATOM 0 HA LEU A 19 12.668 19.837 -23.067 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.658 21.274 -23.235 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.635 19.855 -23.345 1.00 0.00 H new ATOM 0 HG LEU A 19 10.315 19.184 -21.042 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.534 20.770 -19.579 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.539 20.196 -20.930 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.826 21.826 -20.982 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.059 20.938 -19.818 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.177 22.001 -21.240 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.260 20.480 -21.341 1.00 0.00 H new ATOM 261 N ARG A 20 12.599 17.461 -22.295 1.00 0.00 N ATOM 262 CA ARG A 20 12.562 16.102 -21.746 1.00 0.00 C ATOM 263 C ARG A 20 11.917 16.121 -20.349 1.00 0.00 C ATOM 264 O ARG A 20 12.416 16.776 -19.426 1.00 0.00 O ATOM 265 CB ARG A 20 13.981 15.485 -21.674 1.00 0.00 C ATOM 266 CG ARG A 20 14.009 14.031 -21.140 1.00 0.00 C ATOM 267 CD ARG A 20 15.435 13.464 -21.045 1.00 0.00 C ATOM 268 NE ARG A 20 16.102 13.416 -22.357 1.00 0.00 N ATOM 269 CZ ARG A 20 17.394 13.123 -22.556 1.00 0.00 C ATOM 270 NH1 ARG A 20 18.217 12.907 -21.533 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.864 13.072 -23.790 1.00 0.00 N ATOM 0 H ARG A 20 13.422 17.996 -22.018 1.00 0.00 H new ATOM 0 HA ARG A 20 11.963 15.481 -22.412 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.425 15.504 -22.669 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.605 16.108 -21.034 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.543 14.001 -20.155 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.412 13.396 -21.795 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.023 14.077 -20.362 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.398 12.461 -20.621 1.00 0.00 H new ATOM 0 HE ARG A 20 15.535 13.622 -23.180 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.867 12.963 -20.576 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.198 12.685 -21.705 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.245 13.255 -24.580 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.846 12.850 -23.953 1.00 0.00 H new ATOM 285 N LEU A 21 10.787 15.422 -20.226 1.00 0.00 N ATOM 286 CA LEU A 21 10.105 15.186 -18.951 1.00 0.00 C ATOM 287 C LEU A 21 10.686 13.919 -18.293 1.00 0.00 C ATOM 288 O LEU A 21 11.169 13.014 -18.985 1.00 0.00 O ATOM 289 CB LEU A 21 8.563 15.033 -19.171 1.00 0.00 C ATOM 290 CG LEU A 21 7.776 16.308 -19.630 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.986 17.478 -18.659 1.00 0.00 C ATOM 292 CD2 LEU A 21 8.120 16.715 -21.076 1.00 0.00 C ATOM 0 H LEU A 21 10.312 14.997 -21.022 1.00 0.00 H new ATOM 0 HA LEU A 21 10.266 16.040 -18.293 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.403 14.252 -19.914 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.122 14.681 -18.239 1.00 0.00 H new ATOM 0 HG LEU A 21 6.718 16.047 -19.614 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.426 18.346 -19.008 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.635 17.195 -17.667 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.046 17.726 -18.612 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.550 17.603 -21.349 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.186 16.931 -21.149 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.867 15.899 -21.753 1.00 0.00 H new ATOM 304 N SER A 22 10.646 13.876 -16.956 1.00 0.00 N ATOM 305 CA SER A 22 11.116 12.732 -16.165 1.00 0.00 C ATOM 306 C SER A 22 10.106 12.438 -15.044 1.00 0.00 C ATOM 307 O SER A 22 9.755 13.325 -14.266 1.00 0.00 O ATOM 308 CB SER A 22 12.531 13.014 -15.608 1.00 0.00 C ATOM 309 OG SER A 22 12.605 14.271 -14.958 1.00 0.00 O ATOM 0 H SER A 22 10.283 14.641 -16.387 1.00 0.00 H new ATOM 0 HA SER A 22 11.188 11.847 -16.797 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.808 12.227 -14.907 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.254 12.984 -16.423 1.00 0.00 H new ATOM 0 HG SER A 22 11.916 14.321 -14.263 1.00 0.00 H new ATOM 315 N CYS A 23 9.650 11.183 -14.985 1.00 0.00 N ATOM 316 CA CYS A 23 8.601 10.712 -14.076 1.00 0.00 C ATOM 317 C CYS A 23 9.168 9.596 -13.175 1.00 0.00 C ATOM 318 O CYS A 23 9.337 8.453 -13.603 1.00 0.00 O ATOM 319 CB CYS A 23 7.409 10.204 -14.905 1.00 0.00 C ATOM 320 SG CYS A 23 6.043 9.577 -13.929 1.00 0.00 S ATOM 0 H CYS A 23 10.012 10.444 -15.587 1.00 0.00 H new ATOM 0 HA CYS A 23 8.258 11.526 -13.437 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.047 11.017 -15.534 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.756 9.415 -15.572 1.00 0.00 H new ATOM 0 HG CYS A 23 6.477 8.664 -13.111 1.00 0.00 H new ATOM 326 N VAL A 24 9.467 9.957 -11.928 1.00 0.00 N ATOM 327 CA VAL A 24 10.193 9.114 -10.967 1.00 0.00 C ATOM 328 C VAL A 24 9.185 8.359 -10.074 1.00 0.00 C ATOM 329 O VAL A 24 8.449 8.991 -9.312 1.00 0.00 O ATOM 330 CB VAL A 24 11.134 10.022 -10.091 1.00 0.00 C ATOM 331 CG1 VAL A 24 12.104 9.192 -9.234 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.905 11.052 -10.964 1.00 0.00 C ATOM 0 H VAL A 24 9.207 10.865 -11.544 1.00 0.00 H new ATOM 0 HA VAL A 24 10.800 8.382 -11.500 1.00 0.00 H new ATOM 0 HB VAL A 24 10.490 10.575 -9.408 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.733 9.860 -8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.536 8.546 -8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.731 8.580 -9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.545 11.662 -10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.518 10.524 -11.694 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.193 11.693 -11.484 1.00 0.00 H new ATOM 342 N ALA A 25 9.183 7.012 -10.113 1.00 0.00 N ATOM 343 CA ALA A 25 8.124 6.214 -9.462 1.00 0.00 C ATOM 344 C ALA A 25 8.470 5.957 -7.978 1.00 0.00 C ATOM 345 O ALA A 25 9.293 5.084 -7.666 1.00 0.00 O ATOM 346 CB ALA A 25 7.909 4.889 -10.227 1.00 0.00 C ATOM 0 H ALA A 25 9.897 6.457 -10.585 1.00 0.00 H new ATOM 0 HA ALA A 25 7.191 6.777 -9.490 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.126 4.309 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.613 5.105 -11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.836 4.316 -10.230 1.00 0.00 H new ATOM 352 N SER A 26 7.842 6.779 -7.090 1.00 0.00 N ATOM 353 CA SER A 26 8.013 6.749 -5.615 1.00 0.00 C ATOM 354 C SER A 26 9.509 6.750 -5.217 1.00 0.00 C ATOM 355 O SER A 26 9.930 6.091 -4.251 1.00 0.00 O ATOM 356 CB SER A 26 7.240 5.547 -5.002 1.00 0.00 C ATOM 357 OG SER A 26 7.284 5.567 -3.583 1.00 0.00 O ATOM 0 H SER A 26 7.186 7.499 -7.393 1.00 0.00 H new ATOM 0 HA SER A 26 7.584 7.661 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.202 5.573 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.669 4.614 -5.367 1.00 0.00 H new ATOM 0 HG SER A 26 8.210 5.687 -3.286 1.00 0.00 H new ATOM 363 N GLY A 27 10.293 7.540 -5.960 1.00 0.00 N ATOM 364 CA GLY A 27 11.746 7.478 -5.900 1.00 0.00 C ATOM 365 C GLY A 27 12.249 6.286 -6.698 1.00 0.00 C ATOM 366 O GLY A 27 12.489 6.398 -7.906 1.00 0.00 O ATOM 0 H GLY A 27 9.934 8.235 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.174 8.399 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.072 7.396 -4.863 1.00 0.00 H new ATOM 370 N ARG A 28 12.380 5.118 -6.033 1.00 0.00 N ATOM 371 CA ARG A 28 12.810 3.858 -6.670 1.00 0.00 C ATOM 372 C ARG A 28 11.981 2.705 -6.087 1.00 0.00 C ATOM 373 O ARG A 28 12.286 2.197 -5.003 1.00 0.00 O ATOM 374 CB ARG A 28 14.346 3.628 -6.469 1.00 0.00 C ATOM 375 CG ARG A 28 15.220 4.781 -7.014 1.00 0.00 C ATOM 376 CD ARG A 28 16.730 4.560 -6.890 1.00 0.00 C ATOM 377 NE ARG A 28 17.470 5.729 -7.418 1.00 0.00 N ATOM 378 CZ ARG A 28 18.803 5.831 -7.538 1.00 0.00 C ATOM 379 NH1 ARG A 28 19.598 4.825 -7.204 1.00 0.00 N ATOM 380 NH2 ARG A 28 19.335 6.951 -8.009 1.00 0.00 N ATOM 0 H ARG A 28 12.189 5.024 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 28 12.639 3.909 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.550 3.500 -5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.634 2.700 -6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.976 4.937 -8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.957 5.698 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.995 4.396 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.018 3.662 -7.437 1.00 0.00 H new ATOM 0 HE ARG A 28 16.916 6.531 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.199 3.956 -6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.609 4.920 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.732 7.729 -8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.347 7.035 -8.103 1.00 0.00 H new ATOM 394 N THR A 29 10.884 2.344 -6.782 1.00 0.00 N ATOM 395 CA THR A 29 10.028 1.204 -6.411 1.00 0.00 C ATOM 396 C THR A 29 9.721 0.351 -7.652 1.00 0.00 C ATOM 397 O THR A 29 9.812 0.834 -8.786 1.00 0.00 O ATOM 398 CB THR A 29 8.685 1.666 -5.731 1.00 0.00 C ATOM 399 OG1 THR A 29 8.029 0.541 -5.123 1.00 0.00 O ATOM 400 CG2 THR A 29 7.706 2.338 -6.718 1.00 0.00 C ATOM 0 H THR A 29 10.568 2.837 -7.617 1.00 0.00 H new ATOM 0 HA THR A 29 10.576 0.608 -5.681 1.00 0.00 H new ATOM 0 HB THR A 29 8.960 2.408 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.196 0.837 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.800 2.633 -6.188 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.176 3.220 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.449 1.636 -7.511 1.00 0.00 H new ATOM 408 N PHE A 30 9.370 -0.916 -7.415 1.00 0.00 N ATOM 409 CA PHE A 30 8.883 -1.837 -8.450 1.00 0.00 C ATOM 410 C PHE A 30 7.408 -2.126 -8.141 1.00 0.00 C ATOM 411 O PHE A 30 7.097 -2.652 -7.063 1.00 0.00 O ATOM 412 CB PHE A 30 9.711 -3.155 -8.442 1.00 0.00 C ATOM 413 CG PHE A 30 11.214 -2.961 -8.672 1.00 0.00 C ATOM 414 CD1 PHE A 30 11.785 -3.135 -9.935 1.00 0.00 C ATOM 415 CD2 PHE A 30 12.057 -2.588 -7.621 1.00 0.00 C ATOM 416 CE1 PHE A 30 13.143 -2.943 -10.136 1.00 0.00 C ATOM 417 CE2 PHE A 30 13.410 -2.399 -7.824 1.00 0.00 C ATOM 418 CZ PHE A 30 13.953 -2.572 -9.081 1.00 0.00 C ATOM 0 H PHE A 30 9.416 -1.338 -6.488 1.00 0.00 H new ATOM 0 HA PHE A 30 8.989 -1.394 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.564 -3.656 -7.485 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.321 -3.819 -9.213 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.159 -3.423 -10.767 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.643 -2.445 -6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.568 -3.084 -11.119 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.044 -2.115 -6.997 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.010 -2.417 -9.239 1.00 0.00 H new ATOM 428 N ARG A 31 6.504 -1.788 -9.080 1.00 0.00 N ATOM 429 CA ARG A 31 5.056 -1.948 -8.876 1.00 0.00 C ATOM 430 C ARG A 31 4.348 -2.105 -10.236 1.00 0.00 C ATOM 431 O ARG A 31 4.104 -3.232 -10.687 1.00 0.00 O ATOM 432 CB ARG A 31 4.478 -0.746 -8.059 1.00 0.00 C ATOM 433 CG ARG A 31 3.023 -0.932 -7.541 1.00 0.00 C ATOM 434 CD ARG A 31 2.924 -1.853 -6.298 1.00 0.00 C ATOM 435 NE ARG A 31 3.357 -3.244 -6.560 1.00 0.00 N ATOM 436 CZ ARG A 31 4.043 -4.020 -5.705 1.00 0.00 C ATOM 437 NH1 ARG A 31 4.443 -3.552 -4.529 1.00 0.00 N ATOM 438 NH2 ARG A 31 4.346 -5.257 -6.047 1.00 0.00 N ATOM 0 H ARG A 31 6.755 -1.401 -9.990 1.00 0.00 H new ATOM 0 HA ARG A 31 4.875 -2.852 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.129 -0.562 -7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.512 0.146 -8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.606 0.044 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.411 -1.348 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.534 -1.436 -5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.893 -1.862 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 31 3.114 -3.647 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.230 -2.590 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.963 -4.154 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.060 -5.619 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.867 -5.851 -5.402 1.00 0.00 H new ATOM 452 N SER A 32 4.074 -0.970 -10.913 1.00 0.00 N ATOM 453 CA SER A 32 3.274 -0.950 -12.144 1.00 0.00 C ATOM 454 C SER A 32 4.097 -1.418 -13.350 1.00 0.00 C ATOM 455 O SER A 32 5.140 -0.840 -13.673 1.00 0.00 O ATOM 456 CB SER A 32 2.703 0.460 -12.380 1.00 0.00 C ATOM 457 OG SER A 32 3.727 1.434 -12.348 1.00 0.00 O ATOM 0 H SER A 32 4.401 -0.050 -10.619 1.00 0.00 H new ATOM 0 HA SER A 32 2.444 -1.647 -12.026 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.195 0.494 -13.344 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.957 0.686 -11.618 1.00 0.00 H new ATOM 0 HG SER A 32 3.869 1.789 -13.250 1.00 0.00 H new ATOM 463 N ASN A 33 3.607 -2.487 -13.989 1.00 0.00 N ATOM 464 CA ASN A 33 4.155 -3.016 -15.251 1.00 0.00 C ATOM 465 C ASN A 33 3.410 -2.403 -16.456 1.00 0.00 C ATOM 466 O ASN A 33 3.580 -2.851 -17.594 1.00 0.00 O ATOM 467 CB ASN A 33 4.047 -4.560 -15.261 1.00 0.00 C ATOM 468 CG ASN A 33 4.818 -5.215 -14.114 1.00 0.00 C ATOM 469 OD1 ASN A 33 6.010 -5.508 -14.235 1.00 0.00 O ATOM 470 ND2 ASN A 33 4.150 -5.443 -12.988 1.00 0.00 N ATOM 0 H ASN A 33 2.808 -3.018 -13.642 1.00 0.00 H new ATOM 0 HA ASN A 33 5.207 -2.741 -15.330 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.997 -4.847 -15.198 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.425 -4.940 -16.210 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.623 -5.872 -12.192 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.164 -5.189 -12.919 1.00 0.00 H new ATOM 477 N ALA A 34 2.587 -1.376 -16.171 1.00 0.00 N ATOM 478 CA ALA A 34 1.831 -0.611 -17.169 1.00 0.00 C ATOM 479 C ALA A 34 1.847 0.879 -16.772 1.00 0.00 C ATOM 480 O ALA A 34 1.445 1.228 -15.653 1.00 0.00 O ATOM 481 CB ALA A 34 0.392 -1.142 -17.266 1.00 0.00 C ATOM 0 H ALA A 34 2.429 -1.051 -15.217 1.00 0.00 H new ATOM 0 HA ALA A 34 2.292 -0.722 -18.150 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.159 -0.566 -18.010 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.410 -2.191 -17.560 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.098 -1.045 -16.297 1.00 0.00 H new ATOM 487 N MET A 35 2.342 1.727 -17.684 1.00 0.00 N ATOM 488 CA MET A 35 2.488 3.195 -17.510 1.00 0.00 C ATOM 489 C MET A 35 2.122 3.886 -18.841 1.00 0.00 C ATOM 490 O MET A 35 2.038 3.222 -19.883 1.00 0.00 O ATOM 491 CB MET A 35 3.951 3.581 -17.094 1.00 0.00 C ATOM 492 CG MET A 35 4.406 3.075 -15.715 1.00 0.00 C ATOM 493 SD MET A 35 6.146 3.453 -15.388 1.00 0.00 S ATOM 494 CE MET A 35 6.358 2.937 -13.682 1.00 0.00 C ATOM 0 H MET A 35 2.665 1.408 -18.597 1.00 0.00 H new ATOM 0 HA MET A 35 1.822 3.524 -16.713 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.638 3.195 -17.847 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.039 4.667 -17.110 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.786 3.528 -14.941 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.253 1.997 -15.657 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.387 3.121 -13.371 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.679 3.503 -13.044 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.137 1.873 -13.593 1.00 0.00 H new ATOM 504 N GLY A 36 1.902 5.216 -18.809 1.00 0.00 N ATOM 505 CA GLY A 36 1.582 5.967 -20.024 1.00 0.00 C ATOM 506 C GLY A 36 1.691 7.473 -19.855 1.00 0.00 C ATOM 507 O GLY A 36 1.607 7.980 -18.741 1.00 0.00 O ATOM 0 H GLY A 36 1.941 5.781 -17.961 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.251 5.650 -20.824 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.569 5.718 -20.339 1.00 0.00 H new ATOM 511 N TRP A 37 1.904 8.178 -20.982 1.00 0.00 N ATOM 512 CA TRP A 37 1.912 9.650 -21.054 1.00 0.00 C ATOM 513 C TRP A 37 0.646 10.110 -21.780 1.00 0.00 C ATOM 514 O TRP A 37 0.284 9.546 -22.822 1.00 0.00 O ATOM 515 CB TRP A 37 3.161 10.166 -21.814 1.00 0.00 C ATOM 516 CG TRP A 37 4.469 9.868 -21.119 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.292 8.798 -21.327 1.00 0.00 C ATOM 518 CD2 TRP A 37 5.096 10.663 -20.095 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.397 8.893 -20.526 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.296 10.021 -19.751 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.757 11.861 -19.440 1.00 0.00 C ATOM 522 CZ2 TRP A 37 7.165 10.529 -18.787 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.622 12.366 -18.484 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.813 11.699 -18.165 1.00 0.00 C ATOM 0 H TRP A 37 2.078 7.732 -21.883 1.00 0.00 H new ATOM 0 HA TRP A 37 1.942 10.054 -20.042 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.179 9.719 -22.808 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.071 11.244 -21.951 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.099 7.994 -22.022 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.173 8.231 -20.508 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.839 12.377 -19.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.084 10.019 -18.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.376 13.287 -17.977 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.467 12.116 -17.413 1.00 0.00 H new ATOM 535 N PHE A 38 -0.029 11.116 -21.214 1.00 0.00 N ATOM 536 CA PHE A 38 -1.275 11.683 -21.756 1.00 0.00 C ATOM 537 C PHE A 38 -1.200 13.218 -21.672 1.00 0.00 C ATOM 538 O PHE A 38 -0.715 13.759 -20.683 1.00 0.00 O ATOM 539 CB PHE A 38 -2.522 11.167 -20.975 1.00 0.00 C ATOM 540 CG PHE A 38 -2.702 9.649 -20.958 1.00 0.00 C ATOM 541 CD1 PHE A 38 -3.514 9.009 -21.893 1.00 0.00 C ATOM 542 CD2 PHE A 38 -2.042 8.857 -20.013 1.00 0.00 C ATOM 543 CE1 PHE A 38 -3.663 7.633 -21.887 1.00 0.00 C ATOM 544 CE2 PHE A 38 -2.193 7.484 -20.008 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.000 6.872 -20.947 1.00 0.00 C ATOM 0 H PHE A 38 0.277 11.568 -20.353 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.382 11.367 -22.794 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.457 11.520 -19.946 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.414 11.617 -21.410 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.035 9.596 -22.634 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.405 9.325 -19.277 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.298 7.155 -22.618 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.679 6.888 -19.268 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.112 5.798 -20.945 1.00 0.00 H new ATOM 555 N ARG A 39 -1.677 13.907 -22.717 1.00 0.00 N ATOM 556 CA ARG A 39 -1.703 15.383 -22.777 1.00 0.00 C ATOM 557 C ARG A 39 -3.126 15.888 -22.526 1.00 0.00 C ATOM 558 O ARG A 39 -4.087 15.333 -23.059 1.00 0.00 O ATOM 559 CB ARG A 39 -1.200 15.880 -24.155 1.00 0.00 C ATOM 560 CG ARG A 39 -2.026 15.402 -25.368 1.00 0.00 C ATOM 561 CD ARG A 39 -1.562 16.021 -26.691 1.00 0.00 C ATOM 562 NE ARG A 39 -2.462 15.655 -27.807 1.00 0.00 N ATOM 563 CZ ARG A 39 -3.319 16.493 -28.423 1.00 0.00 C ATOM 564 NH1 ARG A 39 -3.443 17.763 -28.036 1.00 0.00 N ATOM 565 NH2 ARG A 39 -4.054 16.059 -29.426 1.00 0.00 N ATOM 0 H ARG A 39 -2.058 13.459 -23.550 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.041 15.775 -22.005 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.191 16.970 -24.149 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.169 15.553 -24.287 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.962 14.316 -25.439 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.075 15.649 -25.206 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.525 17.106 -26.593 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.549 15.687 -26.915 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.431 14.690 -28.137 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.883 18.117 -27.260 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.098 18.381 -28.516 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.974 15.090 -29.735 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.703 16.692 -29.894 1.00 0.00 H new ATOM 579 N GLN A 40 -3.256 16.955 -21.736 1.00 0.00 N ATOM 580 CA GLN A 40 -4.560 17.506 -21.341 1.00 0.00 C ATOM 581 C GLN A 40 -4.475 19.029 -21.267 1.00 0.00 C ATOM 582 O GLN A 40 -3.564 19.562 -20.656 1.00 0.00 O ATOM 583 CB GLN A 40 -4.985 16.905 -19.972 1.00 0.00 C ATOM 584 CG GLN A 40 -6.316 17.439 -19.403 1.00 0.00 C ATOM 585 CD GLN A 40 -6.758 16.739 -18.113 1.00 0.00 C ATOM 586 OE1 GLN A 40 -5.942 16.262 -17.334 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.053 16.695 -17.865 1.00 0.00 N ATOM 0 H GLN A 40 -2.461 17.464 -21.350 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.313 17.241 -22.084 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.062 15.823 -20.077 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.195 17.100 -19.247 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.216 18.507 -19.211 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.096 17.322 -20.155 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.713 17.099 -18.529 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.394 16.257 -17.009 1.00 0.00 H new ATOM 596 N ALA A 41 -5.429 19.713 -21.898 1.00 0.00 N ATOM 597 CA ALA A 41 -5.555 21.181 -21.834 1.00 0.00 C ATOM 598 C ALA A 41 -6.524 21.570 -20.685 1.00 0.00 C ATOM 599 O ALA A 41 -7.269 20.698 -20.213 1.00 0.00 O ATOM 600 CB ALA A 41 -6.026 21.698 -23.206 1.00 0.00 C ATOM 0 H ALA A 41 -6.144 19.268 -22.473 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.594 21.646 -21.613 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.123 22.783 -23.172 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.297 21.423 -23.968 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.991 21.255 -23.450 1.00 0.00 H new ATOM 606 N PRO A 42 -6.512 22.859 -20.184 1.00 0.00 N ATOM 607 CA PRO A 42 -7.442 23.312 -19.109 1.00 0.00 C ATOM 608 C PRO A 42 -8.936 23.037 -19.433 1.00 0.00 C ATOM 609 O PRO A 42 -9.496 23.635 -20.362 1.00 0.00 O ATOM 610 CB PRO A 42 -7.152 24.834 -18.992 1.00 0.00 C ATOM 611 CG PRO A 42 -5.743 24.983 -19.480 1.00 0.00 C ATOM 612 CD PRO A 42 -5.580 23.958 -20.581 1.00 0.00 C ATOM 0 HA PRO A 42 -7.277 22.769 -18.179 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.846 25.418 -19.596 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.255 25.180 -17.964 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.563 25.991 -19.854 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.029 24.809 -18.675 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.841 24.372 -21.555 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.551 23.605 -20.650 1.00 0.00 H new ATOM 620 N GLY A 43 -9.541 22.086 -18.689 1.00 0.00 N ATOM 621 CA GLY A 43 -10.965 21.729 -18.844 1.00 0.00 C ATOM 622 C GLY A 43 -11.251 20.760 -19.991 1.00 0.00 C ATOM 623 O GLY A 43 -12.414 20.477 -20.290 1.00 0.00 O ATOM 0 H GLY A 43 -9.058 21.548 -17.969 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.320 21.286 -17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.541 22.641 -19.003 1.00 0.00 H new ATOM 627 N LYS A 44 -10.188 20.243 -20.622 1.00 0.00 N ATOM 628 CA LYS A 44 -10.281 19.300 -21.757 1.00 0.00 C ATOM 629 C LYS A 44 -9.903 17.876 -21.309 1.00 0.00 C ATOM 630 O LYS A 44 -9.516 17.667 -20.159 1.00 0.00 O ATOM 631 CB LYS A 44 -9.370 19.796 -22.916 1.00 0.00 C ATOM 632 CG LYS A 44 -9.788 21.166 -23.550 1.00 0.00 C ATOM 633 CD LYS A 44 -10.762 21.046 -24.761 1.00 0.00 C ATOM 634 CE LYS A 44 -12.139 20.440 -24.421 1.00 0.00 C ATOM 635 NZ LYS A 44 -13.004 20.303 -25.615 1.00 0.00 N ATOM 0 H LYS A 44 -9.228 20.467 -20.360 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.309 19.263 -22.117 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.349 19.882 -22.544 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.361 19.038 -23.700 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.258 21.780 -22.781 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.890 21.692 -23.873 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.912 22.037 -25.189 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.291 20.434 -25.530 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.999 19.461 -23.962 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.638 21.069 -23.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.918 19.892 -25.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.161 21.239 -26.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.542 19.681 -26.309 1.00 0.00 H new ATOM 649 N GLU A 45 -10.054 16.900 -22.217 1.00 0.00 N ATOM 650 CA GLU A 45 -9.718 15.481 -21.965 1.00 0.00 C ATOM 651 C GLU A 45 -8.199 15.239 -22.091 1.00 0.00 C ATOM 652 O GLU A 45 -7.464 16.097 -22.613 1.00 0.00 O ATOM 653 CB GLU A 45 -10.488 14.595 -22.974 1.00 0.00 C ATOM 654 CG GLU A 45 -12.021 14.757 -22.923 1.00 0.00 C ATOM 655 CD GLU A 45 -12.743 13.944 -24.009 1.00 0.00 C ATOM 656 OE1 GLU A 45 -13.097 14.512 -25.065 1.00 0.00 O ATOM 657 OE2 GLU A 45 -12.934 12.723 -23.825 1.00 0.00 O ATOM 0 H GLU A 45 -10.415 17.070 -23.156 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.010 15.222 -20.947 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.143 14.829 -23.981 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.239 13.551 -22.786 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.382 14.446 -21.943 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.274 15.811 -23.036 1.00 0.00 H new ATOM 664 N ARG A 46 -7.731 14.063 -21.611 1.00 0.00 N ATOM 665 CA ARG A 46 -6.321 13.644 -21.747 1.00 0.00 C ATOM 666 C ARG A 46 -6.178 12.576 -22.860 1.00 0.00 C ATOM 667 O ARG A 46 -6.694 11.458 -22.745 1.00 0.00 O ATOM 668 CB ARG A 46 -5.682 13.166 -20.394 1.00 0.00 C ATOM 669 CG ARG A 46 -6.333 11.950 -19.674 1.00 0.00 C ATOM 670 CD ARG A 46 -7.568 12.325 -18.833 1.00 0.00 C ATOM 671 NE ARG A 46 -7.242 13.280 -17.755 1.00 0.00 N ATOM 672 CZ ARG A 46 -8.001 13.522 -16.677 1.00 0.00 C ATOM 673 NH1 ARG A 46 -9.148 12.878 -16.473 1.00 0.00 N ATOM 674 NH2 ARG A 46 -7.599 14.428 -15.805 1.00 0.00 N ATOM 0 H ARG A 46 -8.316 13.385 -21.123 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.754 14.528 -22.039 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.637 12.922 -20.585 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.691 14.009 -19.703 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.622 11.208 -20.419 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.592 11.481 -19.027 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.329 12.759 -19.482 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.997 11.422 -18.398 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.367 13.798 -17.837 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.468 12.181 -17.146 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.707 13.081 -15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.724 14.930 -15.958 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.163 14.626 -14.979 1.00 0.00 H new ATOM 688 N GLU A 47 -5.484 12.948 -23.947 1.00 0.00 N ATOM 689 CA GLU A 47 -5.244 12.073 -25.103 1.00 0.00 C ATOM 690 C GLU A 47 -3.907 11.336 -24.947 1.00 0.00 C ATOM 691 O GLU A 47 -2.942 11.907 -24.440 1.00 0.00 O ATOM 692 CB GLU A 47 -5.224 12.907 -26.409 1.00 0.00 C ATOM 693 CG GLU A 47 -4.994 12.079 -27.690 1.00 0.00 C ATOM 694 CD GLU A 47 -4.886 12.941 -28.949 1.00 0.00 C ATOM 695 OE1 GLU A 47 -5.937 13.396 -29.455 1.00 0.00 O ATOM 696 OE2 GLU A 47 -3.757 13.176 -29.433 1.00 0.00 O ATOM 0 H GLU A 47 -5.070 13.875 -24.048 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.051 11.342 -25.154 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.171 13.440 -26.500 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.440 13.661 -26.332 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.081 11.493 -27.578 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.814 11.371 -27.810 1.00 0.00 H new ATOM 703 N PHE A 48 -3.868 10.076 -25.407 1.00 0.00 N ATOM 704 CA PHE A 48 -2.670 9.238 -25.380 1.00 0.00 C ATOM 705 C PHE A 48 -1.542 9.843 -26.250 1.00 0.00 C ATOM 706 O PHE A 48 -1.709 10.075 -27.454 1.00 0.00 O ATOM 707 CB PHE A 48 -3.022 7.781 -25.814 1.00 0.00 C ATOM 708 CG PHE A 48 -3.647 7.641 -27.213 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.857 7.371 -28.332 1.00 0.00 C ATOM 710 CD2 PHE A 48 -5.024 7.798 -27.411 1.00 0.00 C ATOM 711 CE1 PHE A 48 -3.411 7.255 -29.592 1.00 0.00 C ATOM 712 CE2 PHE A 48 -5.577 7.681 -28.674 1.00 0.00 C ATOM 713 CZ PHE A 48 -4.769 7.415 -29.765 1.00 0.00 C ATOM 0 H PHE A 48 -4.680 9.609 -25.812 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.294 9.202 -24.358 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.113 7.180 -25.779 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.711 7.359 -25.083 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.791 7.250 -28.210 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.663 8.013 -26.567 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.780 7.039 -30.442 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.642 7.798 -28.808 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.202 7.333 -30.751 1.00 0.00 H new ATOM 723 N VAL A 49 -0.427 10.172 -25.595 1.00 0.00 N ATOM 724 CA VAL A 49 0.824 10.548 -26.266 1.00 0.00 C ATOM 725 C VAL A 49 1.625 9.270 -26.536 1.00 0.00 C ATOM 726 O VAL A 49 2.106 9.034 -27.652 1.00 0.00 O ATOM 727 CB VAL A 49 1.673 11.536 -25.382 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.993 11.962 -26.078 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.829 12.764 -24.979 1.00 0.00 C ATOM 0 H VAL A 49 -0.364 10.186 -24.577 1.00 0.00 H new ATOM 0 HA VAL A 49 0.591 11.061 -27.199 1.00 0.00 H new ATOM 0 HB VAL A 49 1.958 11.001 -24.476 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.543 12.643 -25.429 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.601 11.079 -26.276 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.763 12.463 -27.018 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.432 13.436 -24.368 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.498 13.288 -25.876 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.040 12.437 -24.408 1.00 0.00 H new ATOM 739 N ALA A 50 1.715 8.435 -25.480 1.00 0.00 N ATOM 740 CA ALA A 50 2.528 7.213 -25.470 1.00 0.00 C ATOM 741 C ALA A 50 2.137 6.306 -24.288 1.00 0.00 C ATOM 742 O ALA A 50 1.297 6.675 -23.461 1.00 0.00 O ATOM 743 CB ALA A 50 4.013 7.579 -25.408 1.00 0.00 C ATOM 0 H ALA A 50 1.218 8.597 -24.604 1.00 0.00 H new ATOM 0 HA ALA A 50 2.342 6.659 -26.390 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.612 6.668 -25.401 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.276 8.180 -26.279 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.209 8.150 -24.500 1.00 0.00 H new ATOM 749 N ALA A 51 2.768 5.120 -24.221 1.00 0.00 N ATOM 750 CA ALA A 51 2.512 4.115 -23.184 1.00 0.00 C ATOM 751 C ALA A 51 3.727 3.181 -23.035 1.00 0.00 C ATOM 752 O ALA A 51 4.217 2.602 -24.025 1.00 0.00 O ATOM 753 CB ALA A 51 1.226 3.322 -23.485 1.00 0.00 C ATOM 0 H ALA A 51 3.478 4.833 -24.895 1.00 0.00 H new ATOM 0 HA ALA A 51 2.360 4.629 -22.235 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.061 2.584 -22.700 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.378 4.006 -23.524 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.328 2.814 -24.444 1.00 0.00 H new ATOM 759 N ILE A 52 4.203 3.052 -21.790 1.00 0.00 N ATOM 760 CA ILE A 52 5.381 2.255 -21.433 1.00 0.00 C ATOM 761 C ILE A 52 4.992 1.134 -20.458 1.00 0.00 C ATOM 762 O ILE A 52 4.519 1.384 -19.358 1.00 0.00 O ATOM 763 CB ILE A 52 6.525 3.164 -20.818 1.00 0.00 C ATOM 764 CG1 ILE A 52 7.272 3.940 -21.951 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.518 2.365 -19.932 1.00 0.00 C ATOM 766 CD1 ILE A 52 8.473 4.750 -21.492 1.00 0.00 C ATOM 0 H ILE A 52 3.770 3.509 -20.987 1.00 0.00 H new ATOM 0 HA ILE A 52 5.773 1.803 -22.344 1.00 0.00 H new ATOM 0 HB ILE A 52 6.043 3.885 -20.158 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.602 3.224 -22.704 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.565 4.611 -22.438 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.279 3.040 -19.539 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.978 1.905 -19.104 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.996 1.589 -20.530 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.923 5.251 -22.349 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.153 5.495 -20.763 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.206 4.086 -21.034 1.00 0.00 H new ATOM 778 N ARG A 53 5.196 -0.105 -20.902 1.00 0.00 N ATOM 779 CA ARG A 53 5.142 -1.304 -20.057 1.00 0.00 C ATOM 780 C ARG A 53 6.570 -1.669 -19.613 1.00 0.00 C ATOM 781 O ARG A 53 7.520 -0.900 -19.838 1.00 0.00 O ATOM 782 CB ARG A 53 4.485 -2.481 -20.829 1.00 0.00 C ATOM 783 CG ARG A 53 3.107 -2.142 -21.435 1.00 0.00 C ATOM 784 CD ARG A 53 2.519 -3.303 -22.254 1.00 0.00 C ATOM 785 NE ARG A 53 1.324 -2.895 -23.010 1.00 0.00 N ATOM 786 CZ ARG A 53 0.608 -3.694 -23.805 1.00 0.00 C ATOM 787 NH1 ARG A 53 0.873 -4.986 -23.886 1.00 0.00 N ATOM 788 NH2 ARG A 53 -0.392 -3.196 -24.502 1.00 0.00 N ATOM 0 H ARG A 53 5.408 -0.311 -21.878 1.00 0.00 H new ATOM 0 HA ARG A 53 4.533 -1.104 -19.175 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.155 -2.796 -21.629 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.375 -3.329 -20.153 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.416 -1.881 -20.633 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.201 -1.263 -22.073 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.274 -3.678 -22.945 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.262 -4.125 -21.585 1.00 0.00 H new ATOM 0 HE ARG A 53 1.019 -1.926 -22.920 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.634 -5.386 -23.337 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.317 -5.583 -24.498 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.617 -2.204 -24.433 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.942 -3.803 -25.111 1.00 0.00 H new ATOM 802 N TRP A 54 6.708 -2.797 -18.901 1.00 0.00 N ATOM 803 CA TRP A 54 8.021 -3.465 -18.666 1.00 0.00 C ATOM 804 C TRP A 54 8.901 -3.525 -19.963 1.00 0.00 C ATOM 805 O TRP A 54 8.383 -3.420 -21.084 1.00 0.00 O ATOM 806 CB TRP A 54 7.777 -4.893 -18.087 1.00 0.00 C ATOM 807 CG TRP A 54 6.728 -5.709 -18.842 1.00 0.00 C ATOM 808 CD1 TRP A 54 5.410 -5.859 -18.498 1.00 0.00 C ATOM 809 CD2 TRP A 54 6.904 -6.465 -20.056 1.00 0.00 C ATOM 810 NE1 TRP A 54 4.771 -6.645 -19.414 1.00 0.00 N ATOM 811 CE2 TRP A 54 5.657 -7.027 -20.380 1.00 0.00 C ATOM 812 CE3 TRP A 54 7.989 -6.713 -20.904 1.00 0.00 C ATOM 813 CZ2 TRP A 54 5.470 -7.823 -21.505 1.00 0.00 C ATOM 814 CZ3 TRP A 54 7.805 -7.501 -22.020 1.00 0.00 C ATOM 815 CH2 TRP A 54 6.548 -8.045 -22.317 1.00 0.00 C ATOM 0 H TRP A 54 5.921 -3.280 -18.468 1.00 0.00 H new ATOM 0 HA TRP A 54 8.581 -2.870 -17.944 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.719 -5.441 -18.094 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.468 -4.802 -17.046 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.944 -5.419 -17.628 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.785 -6.906 -19.382 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.959 -6.292 -20.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 4.505 -8.252 -21.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.641 -7.702 -22.674 1.00 0.00 H new ATOM 0 HH2 TRP A 54 6.428 -8.651 -23.203 1.00 0.00 H new ATOM 826 N SER A 55 10.224 -3.721 -19.787 1.00 0.00 N ATOM 827 CA SER A 55 11.217 -3.656 -20.888 1.00 0.00 C ATOM 828 C SER A 55 10.930 -4.718 -21.980 1.00 0.00 C ATOM 829 O SER A 55 10.952 -5.921 -21.701 1.00 0.00 O ATOM 830 CB SER A 55 12.631 -3.856 -20.309 1.00 0.00 C ATOM 831 OG SER A 55 12.855 -2.975 -19.223 1.00 0.00 O ATOM 0 H SER A 55 10.638 -3.929 -18.878 1.00 0.00 H new ATOM 0 HA SER A 55 11.145 -2.676 -21.360 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.752 -4.888 -19.978 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.376 -3.681 -21.085 1.00 0.00 H new ATOM 0 HG SER A 55 13.757 -3.117 -18.867 1.00 0.00 H new ATOM 837 N GLY A 56 10.693 -4.256 -23.227 1.00 0.00 N ATOM 838 CA GLY A 56 10.258 -5.116 -24.343 1.00 0.00 C ATOM 839 C GLY A 56 8.820 -4.827 -24.782 1.00 0.00 C ATOM 840 O GLY A 56 8.426 -5.189 -25.897 1.00 0.00 O ATOM 0 H GLY A 56 10.799 -3.275 -23.486 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.929 -4.973 -25.190 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.340 -6.161 -24.045 1.00 0.00 H new ATOM 844 N GLY A 57 8.050 -4.153 -23.906 1.00 0.00 N ATOM 845 CA GLY A 57 6.678 -3.702 -24.214 1.00 0.00 C ATOM 846 C GLY A 57 6.508 -2.192 -24.019 1.00 0.00 C ATOM 847 O GLY A 57 5.382 -1.678 -24.016 1.00 0.00 O ATOM 0 H GLY A 57 8.360 -3.906 -22.966 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.434 -3.963 -25.244 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.971 -4.231 -23.575 1.00 0.00 H new ATOM 851 N SER A 58 7.635 -1.485 -23.862 1.00 0.00 N ATOM 852 CA SER A 58 7.673 -0.040 -23.594 1.00 0.00 C ATOM 853 C SER A 58 7.734 0.752 -24.921 1.00 0.00 C ATOM 854 O SER A 58 8.791 1.282 -25.294 1.00 0.00 O ATOM 855 CB SER A 58 8.889 0.259 -22.674 1.00 0.00 C ATOM 856 OG SER A 58 10.088 -0.319 -23.182 1.00 0.00 O ATOM 0 H SER A 58 8.562 -1.908 -23.918 1.00 0.00 H new ATOM 0 HA SER A 58 6.764 0.278 -23.082 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.017 1.337 -22.578 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.693 -0.129 -21.674 1.00 0.00 H new ATOM 0 HG SER A 58 10.208 -0.054 -24.118 1.00 0.00 H new ATOM 862 N THR A 59 6.583 0.817 -25.634 1.00 0.00 N ATOM 863 CA THR A 59 6.496 1.380 -27.003 1.00 0.00 C ATOM 864 C THR A 59 5.047 1.792 -27.312 1.00 0.00 C ATOM 865 O THR A 59 4.139 0.955 -27.232 1.00 0.00 O ATOM 866 CB THR A 59 6.973 0.342 -28.105 1.00 0.00 C ATOM 867 OG1 THR A 59 6.539 -0.985 -27.754 1.00 0.00 O ATOM 868 CG2 THR A 59 8.489 0.350 -28.335 1.00 0.00 C ATOM 0 H THR A 59 5.689 0.480 -25.276 1.00 0.00 H new ATOM 0 HA THR A 59 7.156 2.247 -27.035 1.00 0.00 H new ATOM 0 HB THR A 59 6.513 0.654 -29.043 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.836 -1.619 -28.440 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.745 -0.383 -29.100 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.802 1.341 -28.663 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.999 0.097 -27.406 1.00 0.00 H new ATOM 876 N TYR A 60 4.849 3.080 -27.667 1.00 0.00 N ATOM 877 CA TYR A 60 3.553 3.604 -28.140 1.00 0.00 C ATOM 878 C TYR A 60 3.734 5.045 -28.660 1.00 0.00 C ATOM 879 O TYR A 60 4.509 5.809 -28.081 1.00 0.00 O ATOM 880 CB TYR A 60 2.500 3.565 -27.000 1.00 0.00 C ATOM 881 CG TYR A 60 1.042 3.416 -27.458 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.296 4.514 -27.887 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.416 2.166 -27.446 1.00 0.00 C ATOM 884 CE1 TYR A 60 -1.016 4.368 -28.285 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.895 2.021 -27.847 1.00 0.00 C ATOM 886 CZ TYR A 60 -1.606 3.123 -28.262 1.00 0.00 C ATOM 887 OH TYR A 60 -2.918 2.976 -28.651 1.00 0.00 O ATOM 0 H TYR A 60 5.585 3.785 -27.633 1.00 0.00 H new ATOM 0 HA TYR A 60 3.193 2.975 -28.954 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.741 2.737 -26.334 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.588 4.481 -26.415 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.753 5.492 -27.908 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.969 1.299 -27.117 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.580 5.228 -28.614 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.361 1.047 -27.835 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.178 2.034 -28.576 1.00 0.00 H new ATOM 897 N TYR A 61 3.029 5.390 -29.749 1.00 0.00 N ATOM 898 CA TYR A 61 2.924 6.777 -30.251 1.00 0.00 C ATOM 899 C TYR A 61 1.785 6.890 -31.279 1.00 0.00 C ATOM 900 O TYR A 61 1.373 5.890 -31.874 1.00 0.00 O ATOM 901 CB TYR A 61 4.268 7.290 -30.867 1.00 0.00 C ATOM 902 CG TYR A 61 4.822 6.466 -32.054 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.761 5.452 -31.847 1.00 0.00 C ATOM 904 CD2 TYR A 61 4.416 6.704 -33.372 1.00 0.00 C ATOM 905 CE1 TYR A 61 6.278 4.718 -32.899 1.00 0.00 C ATOM 906 CE2 TYR A 61 4.924 5.965 -34.425 1.00 0.00 C ATOM 907 CZ TYR A 61 5.852 4.977 -34.187 1.00 0.00 C ATOM 908 OH TYR A 61 6.370 4.257 -35.245 1.00 0.00 O ATOM 0 H TYR A 61 2.512 4.714 -30.312 1.00 0.00 H new ATOM 0 HA TYR A 61 2.699 7.413 -29.395 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.125 8.318 -31.198 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.022 7.311 -30.080 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.091 5.236 -30.841 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.692 7.480 -33.571 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.011 3.946 -32.714 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.593 6.163 -35.434 1.00 0.00 H new ATOM 0 HH TYR A 61 5.962 4.565 -36.081 1.00 0.00 H new ATOM 918 N ALA A 62 1.266 8.115 -31.447 1.00 0.00 N ATOM 919 CA ALA A 62 0.369 8.480 -32.561 1.00 0.00 C ATOM 920 C ALA A 62 1.186 9.098 -33.720 1.00 0.00 C ATOM 921 O ALA A 62 2.353 9.465 -33.536 1.00 0.00 O ATOM 922 CB ALA A 62 -0.716 9.453 -32.069 1.00 0.00 C ATOM 0 H ALA A 62 1.457 8.889 -30.810 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.124 7.582 -32.933 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.372 9.716 -32.899 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.300 8.978 -31.281 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.246 10.355 -31.679 1.00 0.00 H new ATOM 928 N ASP A 63 0.553 9.235 -34.895 1.00 0.00 N ATOM 929 CA ASP A 63 1.192 9.777 -36.114 1.00 0.00 C ATOM 930 C ASP A 63 1.562 11.272 -35.960 1.00 0.00 C ATOM 931 O ASP A 63 2.516 11.747 -36.585 1.00 0.00 O ATOM 932 CB ASP A 63 0.250 9.600 -37.330 1.00 0.00 C ATOM 933 CG ASP A 63 -0.175 8.144 -37.574 1.00 0.00 C ATOM 934 OD1 ASP A 63 0.405 7.476 -38.452 1.00 0.00 O ATOM 935 OD2 ASP A 63 -1.097 7.664 -36.872 1.00 0.00 O ATOM 0 H ASP A 63 -0.423 8.972 -35.032 1.00 0.00 H new ATOM 0 HA ASP A 63 2.114 9.219 -36.273 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.641 10.209 -37.180 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.748 9.978 -38.223 1.00 0.00 H new ATOM 940 N SER A 64 0.790 12.003 -35.129 1.00 0.00 N ATOM 941 CA SER A 64 1.030 13.438 -34.851 1.00 0.00 C ATOM 942 C SER A 64 2.334 13.647 -34.047 1.00 0.00 C ATOM 943 O SER A 64 3.036 14.655 -34.219 1.00 0.00 O ATOM 944 CB SER A 64 -0.170 14.029 -34.073 1.00 0.00 C ATOM 945 OG SER A 64 -1.392 13.796 -34.754 1.00 0.00 O ATOM 0 H SER A 64 -0.014 11.619 -34.633 1.00 0.00 H new ATOM 0 HA SER A 64 1.138 13.954 -35.805 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.215 13.585 -33.079 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.026 15.101 -33.937 1.00 0.00 H new ATOM 0 HG SER A 64 -2.132 14.179 -34.238 1.00 0.00 H new ATOM 951 N VAL A 65 2.648 12.679 -33.171 1.00 0.00 N ATOM 952 CA VAL A 65 3.826 12.731 -32.282 1.00 0.00 C ATOM 953 C VAL A 65 4.939 11.763 -32.771 1.00 0.00 C ATOM 954 O VAL A 65 5.951 11.566 -32.085 1.00 0.00 O ATOM 955 CB VAL A 65 3.411 12.417 -30.787 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.335 13.417 -30.276 1.00 0.00 C ATOM 957 CG2 VAL A 65 2.938 10.955 -30.605 1.00 0.00 C ATOM 0 H VAL A 65 2.090 11.833 -33.057 1.00 0.00 H new ATOM 0 HA VAL A 65 4.232 13.742 -32.315 1.00 0.00 H new ATOM 0 HB VAL A 65 4.307 12.543 -30.180 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.072 13.174 -29.247 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.731 14.431 -30.319 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.446 13.348 -30.904 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.664 10.788 -29.563 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.073 10.771 -31.242 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.744 10.275 -30.882 1.00 0.00 H new ATOM 967 N LYS A 66 4.744 11.206 -33.990 1.00 0.00 N ATOM 968 CA LYS A 66 5.655 10.215 -34.614 1.00 0.00 C ATOM 969 C LYS A 66 7.055 10.823 -34.841 1.00 0.00 C ATOM 970 O LYS A 66 7.185 11.827 -35.549 1.00 0.00 O ATOM 971 CB LYS A 66 5.013 9.731 -35.957 1.00 0.00 C ATOM 972 CG LYS A 66 5.720 8.570 -36.729 1.00 0.00 C ATOM 973 CD LYS A 66 6.905 9.006 -37.628 1.00 0.00 C ATOM 974 CE LYS A 66 6.501 10.023 -38.712 1.00 0.00 C ATOM 975 NZ LYS A 66 7.645 10.358 -39.590 1.00 0.00 N ATOM 0 H LYS A 66 3.940 11.435 -34.575 1.00 0.00 H new ATOM 0 HA LYS A 66 5.788 9.361 -33.950 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.991 9.418 -35.745 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.951 10.589 -36.627 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.082 7.840 -36.005 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.981 8.063 -37.349 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.686 9.441 -37.004 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.333 8.125 -38.107 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.687 9.615 -39.311 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.125 10.930 -38.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.341 11.045 -40.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.411 10.770 -39.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.988 9.495 -40.058 1.00 0.00 H new ATOM 989 N GLY A 67 8.078 10.225 -34.208 1.00 0.00 N ATOM 990 CA GLY A 67 9.484 10.617 -34.409 1.00 0.00 C ATOM 991 C GLY A 67 9.922 11.843 -33.604 1.00 0.00 C ATOM 992 O GLY A 67 11.126 12.080 -33.437 1.00 0.00 O ATOM 0 H GLY A 67 7.955 9.459 -33.545 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.124 9.776 -34.143 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.644 10.817 -35.468 1.00 0.00 H new ATOM 996 N ARG A 68 8.953 12.619 -33.096 1.00 0.00 N ATOM 997 CA ARG A 68 9.221 13.871 -32.365 1.00 0.00 C ATOM 998 C ARG A 68 9.163 13.603 -30.862 1.00 0.00 C ATOM 999 O ARG A 68 10.027 14.041 -30.104 1.00 0.00 O ATOM 1000 CB ARG A 68 8.201 14.972 -32.774 1.00 0.00 C ATOM 1001 CG ARG A 68 7.955 15.073 -34.295 1.00 0.00 C ATOM 1002 CD ARG A 68 7.317 16.404 -34.727 1.00 0.00 C ATOM 1003 NE ARG A 68 6.126 16.781 -33.938 1.00 0.00 N ATOM 1004 CZ ARG A 68 5.372 17.867 -34.179 1.00 0.00 C ATOM 1005 NH1 ARG A 68 5.567 18.597 -35.273 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.402 18.202 -33.341 1.00 0.00 N ATOM 0 H ARG A 68 7.961 12.398 -33.179 1.00 0.00 H new ATOM 0 HA ARG A 68 10.217 14.232 -32.621 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.252 14.775 -32.276 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.558 15.935 -32.410 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.903 14.948 -34.817 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.309 14.252 -34.606 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.061 17.196 -34.644 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.038 16.337 -35.779 1.00 0.00 H new ATOM 0 HE ARG A 68 5.859 16.178 -33.160 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.294 18.334 -35.938 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.989 19.420 -35.447 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.227 17.635 -32.511 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.831 19.027 -33.526 1.00 0.00 H new ATOM 1020 N PHE A 69 8.125 12.875 -30.440 1.00 0.00 N ATOM 1021 CA PHE A 69 7.955 12.462 -29.043 1.00 0.00 C ATOM 1022 C PHE A 69 8.466 11.020 -28.911 1.00 0.00 C ATOM 1023 O PHE A 69 7.958 10.112 -29.579 1.00 0.00 O ATOM 1024 CB PHE A 69 6.464 12.570 -28.619 1.00 0.00 C ATOM 1025 CG PHE A 69 5.891 14.002 -28.573 1.00 0.00 C ATOM 1026 CD1 PHE A 69 5.986 14.865 -29.672 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.232 14.477 -27.438 1.00 0.00 C ATOM 1028 CE1 PHE A 69 5.454 16.141 -29.635 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.701 15.756 -27.404 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.812 16.587 -28.497 1.00 0.00 C ATOM 0 H PHE A 69 7.378 12.555 -31.057 1.00 0.00 H new ATOM 0 HA PHE A 69 8.524 13.116 -28.382 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.864 11.979 -29.310 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.351 12.120 -27.633 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.486 14.527 -30.568 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.135 13.838 -26.573 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.541 16.788 -30.495 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.197 16.104 -26.515 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.398 17.584 -28.464 1.00 0.00 H new ATOM 1040 N THR A 70 9.473 10.827 -28.056 1.00 0.00 N ATOM 1041 CA THR A 70 10.123 9.526 -27.835 1.00 0.00 C ATOM 1042 C THR A 70 10.062 9.211 -26.337 1.00 0.00 C ATOM 1043 O THR A 70 10.151 10.120 -25.510 1.00 0.00 O ATOM 1044 CB THR A 70 11.610 9.560 -28.331 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.649 10.091 -29.668 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.271 8.163 -28.305 1.00 0.00 C ATOM 0 H THR A 70 9.867 11.577 -27.489 1.00 0.00 H new ATOM 0 HA THR A 70 9.606 8.751 -28.401 1.00 0.00 H new ATOM 0 HB THR A 70 12.175 10.196 -27.650 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.577 10.116 -29.983 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.300 8.241 -28.658 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.265 7.776 -27.286 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.715 7.485 -28.953 1.00 0.00 H new ATOM 1054 N ILE A 71 9.900 7.925 -25.990 1.00 0.00 N ATOM 1055 CA ILE A 71 9.722 7.485 -24.595 1.00 0.00 C ATOM 1056 C ILE A 71 10.726 6.380 -24.239 1.00 0.00 C ATOM 1057 O ILE A 71 11.031 5.517 -25.070 1.00 0.00 O ATOM 1058 CB ILE A 71 8.244 7.012 -24.289 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.746 5.838 -25.216 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.274 8.202 -24.325 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.408 6.198 -26.659 1.00 0.00 C ATOM 0 H ILE A 71 9.888 7.161 -26.666 1.00 0.00 H new ATOM 0 HA ILE A 71 9.914 8.354 -23.966 1.00 0.00 H new ATOM 0 HB ILE A 71 8.260 6.599 -23.280 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.515 5.066 -25.230 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.860 5.397 -24.759 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.263 7.854 -24.112 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.571 8.936 -23.576 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.299 8.662 -25.313 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.079 5.304 -27.189 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.611 6.942 -26.671 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.292 6.606 -27.149 1.00 0.00 H new ATOM 1073 N SER A 72 11.238 6.439 -23.000 1.00 0.00 N ATOM 1074 CA SER A 72 12.248 5.502 -22.473 1.00 0.00 C ATOM 1075 C SER A 72 12.079 5.360 -20.950 1.00 0.00 C ATOM 1076 O SER A 72 11.853 6.355 -20.264 1.00 0.00 O ATOM 1077 CB SER A 72 13.675 6.005 -22.802 1.00 0.00 C ATOM 1078 OG SER A 72 13.864 6.159 -24.201 1.00 0.00 O ATOM 0 H SER A 72 10.959 7.150 -22.324 1.00 0.00 H new ATOM 0 HA SER A 72 12.106 4.529 -22.944 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.850 6.958 -22.303 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.409 5.301 -22.410 1.00 0.00 H new ATOM 0 HG SER A 72 14.774 6.479 -24.375 1.00 0.00 H new ATOM 1084 N ARG A 73 12.181 4.129 -20.434 1.00 0.00 N ATOM 1085 CA ARG A 73 12.107 3.847 -18.987 1.00 0.00 C ATOM 1086 C ARG A 73 13.364 3.086 -18.568 1.00 0.00 C ATOM 1087 O ARG A 73 13.729 2.103 -19.211 1.00 0.00 O ATOM 1088 CB ARG A 73 10.860 2.990 -18.652 1.00 0.00 C ATOM 1089 CG ARG A 73 10.647 2.708 -17.137 1.00 0.00 C ATOM 1090 CD ARG A 73 9.666 1.550 -16.875 1.00 0.00 C ATOM 1091 NE ARG A 73 10.196 0.265 -17.396 1.00 0.00 N ATOM 1092 CZ ARG A 73 10.578 -0.789 -16.647 1.00 0.00 C ATOM 1093 NH1 ARG A 73 10.446 -0.765 -15.318 1.00 0.00 N ATOM 1094 NH2 ARG A 73 11.103 -1.863 -17.233 1.00 0.00 N ATOM 0 H ARG A 73 12.318 3.296 -21.006 1.00 0.00 H new ATOM 0 HA ARG A 73 12.032 4.792 -18.449 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.975 3.494 -19.041 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.940 2.038 -19.176 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.607 2.475 -16.677 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.273 3.611 -16.654 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.482 1.462 -15.804 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.708 1.769 -17.347 1.00 0.00 H new ATOM 0 HE ARG A 73 10.278 0.171 -18.408 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.053 0.057 -14.859 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.739 -1.568 -14.762 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.216 -1.887 -18.246 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.393 -2.662 -16.668 1.00 0.00 H new ATOM 1108 N ASP A 74 14.031 3.542 -17.504 1.00 0.00 N ATOM 1109 CA ASP A 74 15.184 2.834 -16.924 1.00 0.00 C ATOM 1110 C ASP A 74 14.737 2.160 -15.618 1.00 0.00 C ATOM 1111 O ASP A 74 14.460 2.840 -14.623 1.00 0.00 O ATOM 1112 CB ASP A 74 16.363 3.805 -16.688 1.00 0.00 C ATOM 1113 CG ASP A 74 16.845 4.497 -17.979 1.00 0.00 C ATOM 1114 OD1 ASP A 74 16.542 5.693 -18.186 1.00 0.00 O ATOM 1115 OD2 ASP A 74 17.520 3.837 -18.797 1.00 0.00 O ATOM 0 H ASP A 74 13.791 4.407 -17.020 1.00 0.00 H new ATOM 0 HA ASP A 74 15.538 2.071 -17.617 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.061 4.565 -15.967 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.194 3.257 -16.245 1.00 0.00 H new ATOM 1120 N ASN A 75 14.668 0.815 -15.653 1.00 0.00 N ATOM 1121 CA ASN A 75 14.142 -0.037 -14.557 1.00 0.00 C ATOM 1122 C ASN A 75 15.086 -0.039 -13.325 1.00 0.00 C ATOM 1123 O ASN A 75 14.678 -0.429 -12.221 1.00 0.00 O ATOM 1124 CB ASN A 75 13.955 -1.488 -15.101 1.00 0.00 C ATOM 1125 CG ASN A 75 13.210 -2.445 -14.160 1.00 0.00 C ATOM 1126 OD1 ASN A 75 12.323 -2.044 -13.407 1.00 0.00 O ATOM 1127 ND2 ASN A 75 13.558 -3.726 -14.218 1.00 0.00 N ATOM 0 H ASN A 75 14.982 0.275 -16.459 1.00 0.00 H new ATOM 0 HA ASN A 75 13.186 0.368 -14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.414 -1.438 -16.046 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.937 -1.908 -15.318 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.085 -4.410 -13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.298 -4.025 -14.853 1.00 0.00 H new ATOM 1134 N ALA A 76 16.350 0.399 -13.538 1.00 0.00 N ATOM 1135 CA ALA A 76 17.379 0.513 -12.480 1.00 0.00 C ATOM 1136 C ALA A 76 16.881 1.353 -11.289 1.00 0.00 C ATOM 1137 O ALA A 76 17.098 1.002 -10.127 1.00 0.00 O ATOM 1138 CB ALA A 76 18.665 1.120 -13.068 1.00 0.00 C ATOM 0 H ALA A 76 16.686 0.685 -14.458 1.00 0.00 H new ATOM 0 HA ALA A 76 17.591 -0.488 -12.105 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.419 1.202 -12.286 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.038 0.478 -13.866 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.449 2.110 -13.469 1.00 0.00 H new ATOM 1144 N LYS A 77 16.209 2.471 -11.598 1.00 0.00 N ATOM 1145 CA LYS A 77 15.594 3.341 -10.578 1.00 0.00 C ATOM 1146 C LYS A 77 14.069 3.463 -10.785 1.00 0.00 C ATOM 1147 O LYS A 77 13.387 4.079 -9.961 1.00 0.00 O ATOM 1148 CB LYS A 77 16.271 4.743 -10.555 1.00 0.00 C ATOM 1149 CG LYS A 77 16.054 5.644 -11.790 1.00 0.00 C ATOM 1150 CD LYS A 77 16.908 5.251 -13.009 1.00 0.00 C ATOM 1151 CE LYS A 77 16.731 6.232 -14.174 1.00 0.00 C ATOM 1152 NZ LYS A 77 17.127 7.614 -13.826 1.00 0.00 N ATOM 0 H LYS A 77 16.075 2.799 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 77 15.757 2.874 -9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.911 5.279 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.344 4.600 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.001 5.611 -12.071 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.279 6.675 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS A 77 17.958 5.217 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 77 16.634 4.248 -13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.325 5.892 -15.023 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.688 6.227 -14.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.955 8.240 -14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.567 7.941 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.138 7.634 -13.582 1.00 0.00 H new ATOM 1166 N ASN A 78 13.558 2.848 -11.876 1.00 0.00 N ATOM 1167 CA ASN A 78 12.156 2.991 -12.340 1.00 0.00 C ATOM 1168 C ASN A 78 11.766 4.467 -12.502 1.00 0.00 C ATOM 1169 O ASN A 78 10.979 5.026 -11.729 1.00 0.00 O ATOM 1170 CB ASN A 78 11.143 2.205 -11.461 1.00 0.00 C ATOM 1171 CG ASN A 78 11.151 0.708 -11.760 1.00 0.00 C ATOM 1172 OD1 ASN A 78 10.381 0.223 -12.600 1.00 0.00 O ATOM 1173 ND2 ASN A 78 12.031 -0.028 -11.105 1.00 0.00 N ATOM 0 H ASN A 78 14.114 2.230 -12.467 1.00 0.00 H new ATOM 0 HA ASN A 78 12.106 2.532 -13.327 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.380 2.364 -10.409 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.141 2.600 -11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.092 -1.030 -11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.650 0.406 -10.420 1.00 0.00 H new ATOM 1180 N THR A 79 12.396 5.104 -13.488 1.00 0.00 N ATOM 1181 CA THR A 79 12.076 6.469 -13.904 1.00 0.00 C ATOM 1182 C THR A 79 11.823 6.475 -15.416 1.00 0.00 C ATOM 1183 O THR A 79 12.601 5.905 -16.195 1.00 0.00 O ATOM 1184 CB THR A 79 13.214 7.467 -13.520 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.403 7.448 -12.091 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.916 8.908 -13.975 1.00 0.00 C ATOM 0 H THR A 79 13.152 4.682 -14.027 1.00 0.00 H new ATOM 0 HA THR A 79 11.179 6.802 -13.381 1.00 0.00 H new ATOM 0 HB THR A 79 14.119 7.143 -14.035 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.118 8.072 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.739 9.560 -13.682 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.802 8.931 -15.059 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.995 9.254 -13.506 1.00 0.00 H new ATOM 1194 N VAL A 80 10.728 7.126 -15.803 1.00 0.00 N ATOM 1195 CA VAL A 80 10.243 7.197 -17.181 1.00 0.00 C ATOM 1196 C VAL A 80 10.630 8.563 -17.767 1.00 0.00 C ATOM 1197 O VAL A 80 10.780 9.527 -17.029 1.00 0.00 O ATOM 1198 CB VAL A 80 8.680 7.012 -17.206 1.00 0.00 C ATOM 1199 CG1 VAL A 80 8.136 6.900 -18.640 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.251 5.792 -16.359 1.00 0.00 C ATOM 0 H VAL A 80 10.135 7.634 -15.147 1.00 0.00 H new ATOM 0 HA VAL A 80 10.692 6.404 -17.779 1.00 0.00 H new ATOM 0 HB VAL A 80 8.245 7.908 -16.762 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.054 6.773 -18.610 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.380 7.807 -19.194 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.588 6.040 -19.135 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.167 5.688 -16.394 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.715 4.890 -16.759 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.568 5.936 -15.326 1.00 0.00 H new ATOM 1210 N TYR A 81 10.827 8.630 -19.083 1.00 0.00 N ATOM 1211 CA TYR A 81 11.263 9.854 -19.778 1.00 0.00 C ATOM 1212 C TYR A 81 10.388 10.081 -21.018 1.00 0.00 C ATOM 1213 O TYR A 81 10.005 9.122 -21.696 1.00 0.00 O ATOM 1214 CB TYR A 81 12.768 9.756 -20.166 1.00 0.00 C ATOM 1215 CG TYR A 81 13.726 9.699 -18.958 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.275 10.865 -18.416 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.067 8.483 -18.348 1.00 0.00 C ATOM 1218 CE1 TYR A 81 15.119 10.825 -17.319 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.913 8.441 -17.252 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.435 9.613 -16.742 1.00 0.00 C ATOM 1221 OH TYR A 81 16.265 9.575 -15.636 1.00 0.00 O ATOM 0 H TYR A 81 10.689 7.835 -19.707 1.00 0.00 H new ATOM 0 HA TYR A 81 11.148 10.707 -19.109 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.918 8.866 -20.777 1.00 0.00 H new ATOM 0 HB3 TYR A 81 13.030 10.615 -20.784 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.035 11.818 -18.863 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.662 7.562 -18.740 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.528 11.740 -16.917 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.164 7.494 -16.798 1.00 0.00 H new ATOM 0 HH TYR A 81 15.726 9.639 -14.820 1.00 0.00 H new ATOM 1231 N LEU A 82 10.057 11.355 -21.283 1.00 0.00 N ATOM 1232 CA LEU A 82 9.311 11.779 -22.477 1.00 0.00 C ATOM 1233 C LEU A 82 10.084 12.914 -23.153 1.00 0.00 C ATOM 1234 O LEU A 82 10.029 14.068 -22.713 1.00 0.00 O ATOM 1235 CB LEU A 82 7.880 12.244 -22.088 1.00 0.00 C ATOM 1236 CG LEU A 82 6.986 12.803 -23.243 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.717 11.751 -24.336 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.666 13.394 -22.693 1.00 0.00 C ATOM 0 H LEU A 82 10.303 12.129 -20.666 1.00 0.00 H new ATOM 0 HA LEU A 82 9.209 10.942 -23.168 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.360 11.401 -21.633 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.969 13.015 -21.323 1.00 0.00 H new ATOM 0 HG LEU A 82 7.546 13.611 -23.715 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.092 12.187 -25.115 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.663 11.426 -24.769 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.205 10.894 -23.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.066 13.775 -23.519 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.110 12.617 -22.168 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.891 14.207 -22.003 1.00 0.00 H new ATOM 1250 N GLN A 83 10.833 12.572 -24.204 1.00 0.00 N ATOM 1251 CA GLN A 83 11.566 13.550 -25.006 1.00 0.00 C ATOM 1252 C GLN A 83 10.604 14.155 -26.046 1.00 0.00 C ATOM 1253 O GLN A 83 10.337 13.554 -27.088 1.00 0.00 O ATOM 1254 CB GLN A 83 12.796 12.864 -25.672 1.00 0.00 C ATOM 1255 CG GLN A 83 13.744 13.801 -26.448 1.00 0.00 C ATOM 1256 CD GLN A 83 14.303 14.948 -25.599 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.334 14.800 -24.939 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.636 16.102 -25.623 1.00 0.00 N ATOM 0 H GLN A 83 10.947 11.609 -24.522 1.00 0.00 H new ATOM 0 HA GLN A 83 11.945 14.358 -24.381 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.370 12.357 -24.897 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.435 12.095 -26.355 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.574 13.217 -26.846 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.210 14.219 -27.302 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.786 16.188 -26.181 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.975 16.899 -25.084 1.00 0.00 H new ATOM 1267 N MET A 84 10.069 15.339 -25.721 1.00 0.00 N ATOM 1268 CA MET A 84 9.126 16.083 -26.575 1.00 0.00 C ATOM 1269 C MET A 84 9.909 17.029 -27.493 1.00 0.00 C ATOM 1270 O MET A 84 10.456 18.015 -27.019 1.00 0.00 O ATOM 1271 CB MET A 84 8.149 16.912 -25.688 1.00 0.00 C ATOM 1272 CG MET A 84 7.224 16.099 -24.787 1.00 0.00 C ATOM 1273 SD MET A 84 6.235 17.124 -23.660 1.00 0.00 S ATOM 1274 CE MET A 84 5.446 18.312 -24.752 1.00 0.00 C ATOM 0 H MET A 84 10.280 15.816 -24.845 1.00 0.00 H new ATOM 0 HA MET A 84 8.553 15.378 -27.177 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.736 17.584 -25.063 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.536 17.536 -26.339 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.554 15.504 -25.408 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.821 15.400 -24.201 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.454 18.554 -24.370 1.00 0.00 H new ATOM 0 HE2 MET A 84 6.048 19.219 -24.799 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.356 17.885 -25.751 1.00 0.00 H new ATOM 1284 N ASN A 85 9.982 16.714 -28.791 1.00 0.00 N ATOM 1285 CA ASN A 85 10.658 17.576 -29.795 1.00 0.00 C ATOM 1286 C ASN A 85 9.622 18.250 -30.693 1.00 0.00 C ATOM 1287 O ASN A 85 8.521 17.717 -30.891 1.00 0.00 O ATOM 1288 CB ASN A 85 11.663 16.764 -30.657 1.00 0.00 C ATOM 1289 CG ASN A 85 12.880 16.257 -29.877 1.00 0.00 C ATOM 1290 OD1 ASN A 85 12.810 16.001 -28.674 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.003 16.097 -30.558 1.00 0.00 N ATOM 0 H ASN A 85 9.580 15.863 -29.184 1.00 0.00 H new ATOM 0 HA ASN A 85 11.219 18.340 -29.256 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.144 15.912 -31.096 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.006 17.388 -31.482 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.840 15.753 -30.087 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.031 16.317 -31.554 1.00 0.00 H new ATOM 1298 N SER A 86 10.009 19.424 -31.236 1.00 0.00 N ATOM 1299 CA SER A 86 9.171 20.253 -32.115 1.00 0.00 C ATOM 1300 C SER A 86 7.888 20.678 -31.371 1.00 0.00 C ATOM 1301 O SER A 86 6.770 20.306 -31.742 1.00 0.00 O ATOM 1302 CB SER A 86 8.889 19.520 -33.458 1.00 0.00 C ATOM 1303 OG SER A 86 8.204 20.344 -34.388 1.00 0.00 O ATOM 0 H SER A 86 10.932 19.826 -31.070 1.00 0.00 H new ATOM 0 HA SER A 86 9.704 21.167 -32.376 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.832 19.190 -33.894 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.297 18.625 -33.264 1.00 0.00 H new ATOM 0 HG SER A 86 8.049 19.844 -35.216 1.00 0.00 H new ATOM 1309 N LEU A 87 8.099 21.436 -30.278 1.00 0.00 N ATOM 1310 CA LEU A 87 7.020 21.931 -29.408 1.00 0.00 C ATOM 1311 C LEU A 87 6.145 22.954 -30.142 1.00 0.00 C ATOM 1312 O LEU A 87 6.599 23.620 -31.067 1.00 0.00 O ATOM 1313 CB LEU A 87 7.626 22.544 -28.118 1.00 0.00 C ATOM 1314 CG LEU A 87 8.501 21.565 -27.272 1.00 0.00 C ATOM 1315 CD1 LEU A 87 9.112 22.259 -26.043 1.00 0.00 C ATOM 1316 CD2 LEU A 87 7.702 20.317 -26.862 1.00 0.00 C ATOM 0 H LEU A 87 9.029 21.723 -29.974 1.00 0.00 H new ATOM 0 HA LEU A 87 6.381 21.092 -29.133 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.234 23.406 -28.394 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.813 22.914 -27.493 1.00 0.00 H new ATOM 0 HG LEU A 87 9.327 21.243 -27.906 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.713 21.543 -25.482 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.743 23.086 -26.368 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.314 22.640 -25.406 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.338 19.655 -26.274 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.840 20.616 -26.265 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.361 19.794 -27.755 1.00 0.00 H new ATOM 1328 N LYS A 88 4.885 23.056 -29.734 1.00 0.00 N ATOM 1329 CA LYS A 88 3.914 23.994 -30.320 1.00 0.00 C ATOM 1330 C LYS A 88 3.416 24.925 -29.213 1.00 0.00 C ATOM 1331 O LYS A 88 3.371 24.501 -28.057 1.00 0.00 O ATOM 1332 CB LYS A 88 2.729 23.207 -30.944 1.00 0.00 C ATOM 1333 CG LYS A 88 3.158 22.137 -31.964 1.00 0.00 C ATOM 1334 CD LYS A 88 2.003 21.236 -32.469 1.00 0.00 C ATOM 1335 CE LYS A 88 1.457 20.249 -31.406 1.00 0.00 C ATOM 1336 NZ LYS A 88 0.714 20.916 -30.298 1.00 0.00 N ATOM 0 H LYS A 88 4.498 22.488 -28.981 1.00 0.00 H new ATOM 0 HA LYS A 88 4.384 24.581 -31.109 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.164 22.727 -30.145 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.055 23.911 -31.433 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.618 22.632 -32.820 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.923 21.507 -31.511 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.186 21.870 -32.813 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.351 20.668 -33.332 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.798 19.531 -31.894 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.289 19.684 -30.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.061 20.300 -29.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.362 21.096 -29.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.322 21.818 -30.636 1.00 0.00 H new ATOM 1350 N PRO A 89 3.001 26.195 -29.533 1.00 0.00 N ATOM 1351 CA PRO A 89 2.408 27.112 -28.523 1.00 0.00 C ATOM 1352 C PRO A 89 1.070 26.559 -27.935 1.00 0.00 C ATOM 1353 O PRO A 89 0.592 27.030 -26.902 1.00 0.00 O ATOM 1354 CB PRO A 89 2.194 28.431 -29.319 1.00 0.00 C ATOM 1355 CG PRO A 89 2.143 28.012 -30.756 1.00 0.00 C ATOM 1356 CD PRO A 89 3.090 26.843 -30.873 1.00 0.00 C ATOM 0 HA PRO A 89 3.046 27.243 -27.649 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.271 28.927 -29.020 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.007 29.135 -29.142 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.131 27.727 -31.045 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.445 28.828 -31.413 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.792 26.162 -31.670 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.106 27.169 -31.096 1.00 0.00 H new ATOM 1364 N GLU A 90 0.498 25.544 -28.629 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.702 24.790 -28.185 1.00 0.00 C ATOM 1366 C GLU A 90 -0.414 23.947 -26.922 1.00 0.00 C ATOM 1367 O GLU A 90 -1.326 23.641 -26.149 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.171 23.847 -29.322 1.00 0.00 C ATOM 1369 CG GLU A 90 -1.413 24.540 -30.673 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.860 23.566 -31.778 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -3.071 23.504 -32.088 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -0.997 22.837 -32.317 1.00 0.00 O ATOM 0 H GLU A 90 0.862 25.221 -29.525 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.479 25.516 -27.943 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.424 23.065 -29.459 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.093 23.356 -29.011 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.172 25.312 -30.548 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.497 25.041 -30.987 1.00 0.00 H new ATOM 1379 N ASP A 91 0.872 23.587 -26.727 1.00 0.00 N ATOM 1380 CA ASP A 91 1.324 22.735 -25.605 1.00 0.00 C ATOM 1381 C ASP A 91 1.521 23.551 -24.301 1.00 0.00 C ATOM 1382 O ASP A 91 2.291 23.154 -23.422 1.00 0.00 O ATOM 1383 CB ASP A 91 2.620 21.964 -25.999 1.00 0.00 C ATOM 1384 CG ASP A 91 2.407 20.983 -27.169 1.00 0.00 C ATOM 1385 OD1 ASP A 91 2.872 21.265 -28.298 1.00 0.00 O ATOM 1386 OD2 ASP A 91 1.747 19.940 -26.971 1.00 0.00 O ATOM 0 H ASP A 91 1.629 23.880 -27.345 1.00 0.00 H new ATOM 0 HA ASP A 91 0.540 22.006 -25.401 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.394 22.682 -26.270 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.986 21.413 -25.132 1.00 0.00 H new ATOM 1391 N THR A 92 0.830 24.699 -24.182 1.00 0.00 N ATOM 1392 CA THR A 92 0.581 25.333 -22.883 1.00 0.00 C ATOM 1393 C THR A 92 -0.597 24.580 -22.224 1.00 0.00 C ATOM 1394 O THR A 92 -1.776 24.904 -22.446 1.00 0.00 O ATOM 1395 CB THR A 92 0.288 26.862 -23.036 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.455 27.504 -23.567 1.00 0.00 O ATOM 1397 CG2 THR A 92 -0.113 27.532 -21.703 1.00 0.00 C ATOM 0 H THR A 92 0.435 25.205 -24.975 1.00 0.00 H new ATOM 0 HA THR A 92 1.466 25.267 -22.250 1.00 0.00 H new ATOM 0 HB THR A 92 -0.560 26.972 -23.711 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.283 28.463 -23.669 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.304 28.592 -21.871 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.014 27.058 -21.314 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.696 27.419 -20.981 1.00 0.00 H new ATOM 1405 N ALA A 93 -0.243 23.542 -21.450 1.00 0.00 N ATOM 1406 CA ALA A 93 -1.194 22.549 -20.933 1.00 0.00 C ATOM 1407 C ALA A 93 -0.529 21.683 -19.839 1.00 0.00 C ATOM 1408 O ALA A 93 0.607 21.942 -19.423 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.695 21.677 -22.102 1.00 0.00 C ATOM 0 H ALA A 93 0.720 23.368 -21.164 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.044 23.057 -20.479 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.402 20.937 -21.727 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.189 22.308 -22.841 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.849 21.169 -22.565 1.00 0.00 H new ATOM 1415 N VAL A 94 -1.252 20.661 -19.367 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.752 19.699 -18.386 1.00 0.00 C ATOM 1417 C VAL A 94 -0.531 18.330 -19.062 1.00 0.00 C ATOM 1418 O VAL A 94 -1.477 17.652 -19.475 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.711 19.589 -17.124 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -3.187 19.297 -17.499 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -1.180 18.562 -16.097 1.00 0.00 C ATOM 0 H VAL A 94 -2.212 20.479 -19.661 1.00 0.00 H new ATOM 0 HA VAL A 94 0.207 20.056 -18.010 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.705 20.574 -16.656 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.787 19.234 -16.591 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.567 20.099 -18.131 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.245 18.352 -18.038 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.860 18.512 -15.247 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.113 17.580 -16.566 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.192 18.868 -15.754 1.00 0.00 H new ATOM 1431 N TYR A 95 0.746 17.970 -19.243 1.00 0.00 N ATOM 1432 CA TYR A 95 1.148 16.611 -19.624 1.00 0.00 C ATOM 1433 C TYR A 95 1.247 15.791 -18.338 1.00 0.00 C ATOM 1434 O TYR A 95 2.027 16.125 -17.459 1.00 0.00 O ATOM 1435 CB TYR A 95 2.507 16.618 -20.393 1.00 0.00 C ATOM 1436 CG TYR A 95 2.370 16.758 -21.924 1.00 0.00 C ATOM 1437 CD1 TYR A 95 1.871 17.924 -22.511 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.735 15.710 -22.779 1.00 0.00 C ATOM 1439 CE1 TYR A 95 1.743 18.037 -23.887 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.613 15.824 -24.151 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.115 16.984 -24.701 1.00 0.00 C ATOM 1442 OH TYR A 95 1.979 17.080 -26.069 1.00 0.00 O ATOM 0 H TYR A 95 1.529 18.613 -19.129 1.00 0.00 H new ATOM 0 HA TYR A 95 0.414 16.173 -20.300 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.119 17.439 -20.018 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.042 15.694 -20.171 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.580 18.752 -21.882 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.120 14.793 -22.357 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.354 18.946 -24.322 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.908 15.005 -24.790 1.00 0.00 H new ATOM 0 HH TYR A 95 1.921 18.024 -26.327 1.00 0.00 H new ATOM 1452 N LEU A 96 0.403 14.766 -18.203 1.00 0.00 N ATOM 1453 CA LEU A 96 0.389 13.892 -17.027 1.00 0.00 C ATOM 1454 C LEU A 96 0.790 12.459 -17.400 1.00 0.00 C ATOM 1455 O LEU A 96 0.398 11.933 -18.446 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.992 13.985 -16.295 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.301 13.920 -17.165 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.634 12.493 -17.636 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.498 14.533 -16.407 1.00 0.00 C ATOM 0 H LEU A 96 -0.292 14.518 -18.907 1.00 0.00 H new ATOM 0 HA LEU A 96 1.141 14.234 -16.316 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.037 13.177 -15.565 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.010 14.921 -15.736 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.108 14.512 -18.059 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.547 12.510 -18.232 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.813 12.109 -18.241 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.778 11.848 -16.769 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.391 14.476 -17.030 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.665 13.980 -15.482 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.285 15.576 -16.173 1.00 0.00 H new ATOM 1471 N CYS A 97 1.624 11.866 -16.549 1.00 0.00 N ATOM 1472 CA CYS A 97 1.992 10.463 -16.624 1.00 0.00 C ATOM 1473 C CYS A 97 1.045 9.683 -15.710 1.00 0.00 C ATOM 1474 O CYS A 97 0.477 10.241 -14.753 1.00 0.00 O ATOM 1475 CB CYS A 97 3.465 10.252 -16.212 1.00 0.00 C ATOM 1476 SG CYS A 97 4.099 8.603 -16.594 1.00 0.00 S ATOM 0 H CYS A 97 2.069 12.360 -15.775 1.00 0.00 H new ATOM 0 HA CYS A 97 1.901 10.105 -17.650 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.084 10.995 -16.716 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.562 10.430 -15.141 1.00 0.00 H new ATOM 0 HG CYS A 97 5.103 8.333 -15.814 1.00 0.00 H new ATOM 1482 N ALA A 98 0.885 8.403 -15.997 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.123 7.555 -15.363 1.00 0.00 C ATOM 1484 C ALA A 98 0.395 6.120 -15.270 1.00 0.00 C ATOM 1485 O ALA A 98 1.279 5.738 -16.037 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.413 7.632 -16.182 1.00 0.00 C ATOM 0 H ALA A 98 1.456 7.912 -16.685 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.330 7.899 -14.350 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.175 7.004 -15.721 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.763 8.664 -16.213 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.221 7.283 -17.197 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.142 5.341 -14.316 1.00 0.00 N ATOM 1493 CA ALA A 99 0.285 3.951 -14.084 1.00 0.00 C ATOM 1494 C ALA A 99 -0.818 3.128 -13.384 1.00 0.00 C ATOM 1495 O ALA A 99 -1.717 3.692 -12.753 1.00 0.00 O ATOM 1496 CB ALA A 99 1.586 3.940 -13.263 1.00 0.00 C ATOM 0 H ALA A 99 -0.881 5.655 -13.687 1.00 0.00 H new ATOM 0 HA ALA A 99 0.470 3.481 -15.050 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.900 2.910 -13.093 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.365 4.471 -13.809 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.416 4.431 -12.305 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.736 1.792 -13.519 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.629 0.865 -12.812 1.00 0.00 C ATOM 1504 C GLY A 100 -1.745 -0.470 -13.533 1.00 0.00 C ATOM 1505 O GLY A 100 -1.653 -0.519 -14.757 1.00 0.00 O ATOM 0 H GLY A 100 -0.052 1.330 -14.118 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.256 0.701 -11.801 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.618 1.314 -12.718 1.00 0.00 H new ATOM 1509 N VAL A 101 -1.957 -1.558 -12.764 1.00 0.00 N ATOM 1510 CA VAL A 101 -2.058 -2.941 -13.308 1.00 0.00 C ATOM 1511 C VAL A 101 -3.517 -3.457 -13.152 1.00 0.00 C ATOM 1512 O VAL A 101 -3.803 -4.655 -13.250 1.00 0.00 O ATOM 1513 CB VAL A 101 -1.022 -3.906 -12.579 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -0.852 -5.264 -13.314 1.00 0.00 C ATOM 1515 CG2 VAL A 101 0.354 -3.217 -12.400 1.00 0.00 C ATOM 0 H VAL A 101 -2.064 -1.510 -11.751 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.806 -2.930 -14.368 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.441 -4.119 -11.595 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.135 -5.883 -12.774 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.813 -5.777 -13.358 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.489 -5.087 -14.326 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.040 -3.900 -11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.757 -2.949 -13.377 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.234 -2.317 -11.797 1.00 0.00 H new ATOM 1525 N TRP A 102 -4.454 -2.510 -12.971 1.00 0.00 N ATOM 1526 CA TRP A 102 -5.888 -2.804 -12.795 1.00 0.00 C ATOM 1527 C TRP A 102 -6.635 -2.224 -14.004 1.00 0.00 C ATOM 1528 O TRP A 102 -6.775 -1.004 -14.125 1.00 0.00 O ATOM 1529 CB TRP A 102 -6.392 -2.185 -11.454 1.00 0.00 C ATOM 1530 CG TRP A 102 -7.711 -2.743 -10.922 1.00 0.00 C ATOM 1531 CD1 TRP A 102 -7.860 -3.687 -9.936 1.00 0.00 C ATOM 1532 CD2 TRP A 102 -9.053 -2.387 -11.331 1.00 0.00 C ATOM 1533 NE1 TRP A 102 -9.190 -3.925 -9.705 1.00 0.00 N ATOM 1534 CE2 TRP A 102 -9.941 -3.152 -10.550 1.00 0.00 C ATOM 1535 CE3 TRP A 102 -9.589 -1.502 -12.279 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 -11.327 -3.059 -10.686 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 -10.963 -1.409 -12.410 1.00 0.00 C ATOM 1538 CH2 TRP A 102 -11.820 -2.185 -11.619 1.00 0.00 C ATOM 0 H TRP A 102 -4.237 -1.514 -12.942 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.068 -3.878 -12.742 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.624 -2.333 -10.695 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -6.502 -1.109 -11.590 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.046 -4.172 -9.417 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -9.562 -4.575 -9.013 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.938 -0.902 -12.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.989 -3.656 -10.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -11.382 -0.726 -13.134 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.888 -2.093 -11.747 1.00 0.00 H new ATOM 1549 N ARG A 103 -7.055 -3.104 -14.926 1.00 0.00 N ATOM 1550 CA ARG A 103 -7.767 -2.714 -16.164 1.00 0.00 C ATOM 1551 C ARG A 103 -9.081 -3.508 -16.256 1.00 0.00 C ATOM 1552 O ARG A 103 -9.100 -4.708 -15.962 1.00 0.00 O ATOM 1553 CB ARG A 103 -6.858 -3.028 -17.390 1.00 0.00 C ATOM 1554 CG ARG A 103 -5.454 -2.372 -17.321 1.00 0.00 C ATOM 1555 CD ARG A 103 -4.475 -2.909 -18.378 1.00 0.00 C ATOM 1556 NE ARG A 103 -4.209 -4.352 -18.228 1.00 0.00 N ATOM 1557 CZ ARG A 103 -3.140 -5.002 -18.718 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -2.173 -4.359 -19.369 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -3.040 -6.309 -18.533 1.00 0.00 N ATOM 0 H ARG A 103 -6.912 -4.110 -14.838 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.995 -1.648 -16.153 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.739 -4.108 -17.473 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -7.360 -2.692 -18.297 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.558 -1.294 -17.448 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.033 -2.537 -16.329 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.881 -2.720 -19.372 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.535 -2.361 -18.308 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.893 -4.902 -17.709 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.234 -3.350 -19.505 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.372 -4.875 -19.731 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.769 -6.809 -18.024 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.234 -6.816 -18.899 1.00 0.00 H new ATOM 1573 N SER A 104 -10.167 -2.842 -16.678 1.00 0.00 N ATOM 1574 CA SER A 104 -11.490 -3.472 -16.858 1.00 0.00 C ATOM 1575 C SER A 104 -11.647 -4.039 -18.282 1.00 0.00 C ATOM 1576 O SER A 104 -12.159 -5.144 -18.473 1.00 0.00 O ATOM 1577 CB SER A 104 -12.594 -2.440 -16.559 1.00 0.00 C ATOM 1578 OG SER A 104 -12.435 -1.885 -15.262 1.00 0.00 O ATOM 0 H SER A 104 -10.155 -1.848 -16.906 1.00 0.00 H new ATOM 0 HA SER A 104 -11.579 -4.306 -16.162 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.565 -1.645 -17.304 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.572 -2.915 -16.638 1.00 0.00 H new ATOM 0 HG SER A 104 -13.147 -1.232 -15.096 1.00 0.00 H new ATOM 1584 N SER A 105 -11.176 -3.258 -19.270 1.00 0.00 N ATOM 1585 CA SER A 105 -11.361 -3.543 -20.708 1.00 0.00 C ATOM 1586 C SER A 105 -10.384 -4.625 -21.205 1.00 0.00 C ATOM 1587 O SER A 105 -10.664 -5.317 -22.193 1.00 0.00 O ATOM 1588 CB SER A 105 -11.160 -2.237 -21.517 1.00 0.00 C ATOM 1589 OG SER A 105 -11.421 -2.422 -22.897 1.00 0.00 O ATOM 0 H SER A 105 -10.650 -2.402 -19.093 1.00 0.00 H new ATOM 0 HA SER A 105 -12.372 -3.922 -20.854 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.818 -1.462 -21.124 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.137 -1.883 -21.386 1.00 0.00 H new ATOM 0 HG SER A 105 -11.285 -1.576 -23.372 1.00 0.00 H new ATOM 1595 N GLY A 106 -9.243 -4.765 -20.511 1.00 0.00 N ATOM 1596 CA GLY A 106 -8.172 -5.673 -20.933 1.00 0.00 C ATOM 1597 C GLY A 106 -7.086 -4.951 -21.726 1.00 0.00 C ATOM 1598 O GLY A 106 -5.920 -5.370 -21.723 1.00 0.00 O ATOM 0 H GLY A 106 -9.041 -4.256 -19.650 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.728 -6.142 -20.055 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.594 -6.472 -21.542 1.00 0.00 H new ATOM 1602 N TRP A 107 -7.484 -3.869 -22.421 1.00 0.00 N ATOM 1603 CA TRP A 107 -6.555 -2.973 -23.134 1.00 0.00 C ATOM 1604 C TRP A 107 -5.678 -2.220 -22.120 1.00 0.00 C ATOM 1605 O TRP A 107 -6.159 -1.864 -21.032 1.00 0.00 O ATOM 1606 CB TRP A 107 -7.343 -1.977 -24.033 1.00 0.00 C ATOM 1607 CG TRP A 107 -8.070 -2.635 -25.191 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -9.153 -3.463 -25.120 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -7.767 -2.501 -26.591 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -9.534 -3.856 -26.377 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -8.704 -3.278 -27.296 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -6.801 -1.796 -27.313 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -8.698 -3.382 -28.682 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -6.795 -1.896 -28.692 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -7.743 -2.681 -29.366 1.00 0.00 C ATOM 0 H TRP A 107 -8.462 -3.591 -22.504 1.00 0.00 H new ATOM 0 HA TRP A 107 -5.909 -3.569 -23.779 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.068 -1.444 -23.418 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -6.651 -1.233 -24.427 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -9.640 -3.765 -24.205 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -10.312 -4.480 -26.592 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.072 -1.184 -26.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -9.421 -3.994 -29.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.048 -1.361 -29.260 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.718 -2.733 -30.444 1.00 0.00 H new ATOM 1626 N ASP A 108 -4.399 -2.002 -22.483 1.00 0.00 N ATOM 1627 CA ASP A 108 -3.390 -1.406 -21.585 1.00 0.00 C ATOM 1628 C ASP A 108 -3.746 0.062 -21.272 1.00 0.00 C ATOM 1629 O ASP A 108 -3.523 0.965 -22.089 1.00 0.00 O ATOM 1630 CB ASP A 108 -1.976 -1.522 -22.204 1.00 0.00 C ATOM 1631 CG ASP A 108 -0.839 -1.234 -21.197 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -0.652 -2.056 -20.274 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -0.103 -0.231 -21.361 1.00 0.00 O ATOM 0 H ASP A 108 -4.036 -2.234 -23.407 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.389 -1.958 -20.645 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.846 -2.525 -22.610 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -1.895 -0.827 -23.040 1.00 0.00 H new ATOM 1638 N THR A 109 -4.353 0.256 -20.095 1.00 0.00 N ATOM 1639 CA THR A 109 -4.892 1.537 -19.629 1.00 0.00 C ATOM 1640 C THR A 109 -4.467 1.769 -18.162 1.00 0.00 C ATOM 1641 O THR A 109 -4.299 0.791 -17.419 1.00 0.00 O ATOM 1642 CB THR A 109 -6.459 1.541 -19.730 1.00 0.00 C ATOM 1643 OG1 THR A 109 -6.976 0.355 -19.107 1.00 0.00 O ATOM 1644 CG2 THR A 109 -6.951 1.608 -21.191 1.00 0.00 C ATOM 0 H THR A 109 -4.486 -0.498 -19.421 1.00 0.00 H new ATOM 0 HA THR A 109 -4.499 2.336 -20.258 1.00 0.00 H new ATOM 0 HB THR A 109 -6.822 2.433 -19.220 1.00 0.00 H new ATOM 0 HG1 THR A 109 -6.776 -0.423 -19.668 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.041 1.608 -21.208 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.580 2.520 -21.658 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.580 0.743 -21.740 1.00 0.00 H new ATOM 1652 N PRO A 110 -4.284 3.055 -17.719 1.00 0.00 N ATOM 1653 CA PRO A 110 -3.886 3.366 -16.330 1.00 0.00 C ATOM 1654 C PRO A 110 -5.061 3.269 -15.340 1.00 0.00 C ATOM 1655 O PRO A 110 -6.226 3.437 -15.720 1.00 0.00 O ATOM 1656 CB PRO A 110 -3.391 4.818 -16.446 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.245 5.417 -17.524 1.00 0.00 C ATOM 1658 CD PRO A 110 -4.456 4.300 -18.529 1.00 0.00 C ATOM 0 HA PRO A 110 -3.145 2.667 -15.942 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.506 5.354 -15.504 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -2.334 4.858 -16.708 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.195 5.771 -17.123 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.754 6.274 -17.985 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.447 4.350 -18.981 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.732 4.351 -19.342 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.735 3.011 -14.067 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.727 2.983 -12.975 1.00 0.00 C ATOM 1668 C ASP A 111 -5.623 4.286 -12.164 1.00 0.00 C ATOM 1669 O ASP A 111 -6.636 4.877 -11.768 1.00 0.00 O ATOM 1670 CB ASP A 111 -5.516 1.739 -12.074 1.00 0.00 C ATOM 1671 CG ASP A 111 -6.659 1.547 -11.055 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -6.482 1.852 -9.864 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -7.745 1.090 -11.455 1.00 0.00 O ATOM 0 H ASP A 111 -3.781 2.816 -13.762 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.730 2.910 -13.396 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.438 0.850 -12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.571 1.837 -11.541 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.375 4.725 -11.948 1.00 0.00 N ATOM 1679 CA TYR A 112 -4.049 5.969 -11.234 1.00 0.00 C ATOM 1680 C TYR A 112 -3.223 6.895 -12.135 1.00 0.00 C ATOM 1681 O TYR A 112 -2.690 6.472 -13.167 1.00 0.00 O ATOM 1682 CB TYR A 112 -3.258 5.660 -9.931 1.00 0.00 C ATOM 1683 CG TYR A 112 -4.020 4.781 -8.936 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -3.548 3.519 -8.570 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -5.222 5.217 -8.370 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -4.243 2.727 -7.680 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -5.916 4.430 -7.481 1.00 0.00 C ATOM 1688 CZ TYR A 112 -5.425 3.189 -7.139 1.00 0.00 C ATOM 1689 OH TYR A 112 -6.134 2.399 -6.262 1.00 0.00 O ATOM 0 H TYR A 112 -3.550 4.218 -12.269 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.982 6.467 -10.968 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.322 5.167 -10.194 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -2.997 6.600 -9.445 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.622 3.156 -8.991 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.612 6.188 -8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.865 1.752 -7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -6.842 4.783 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.941 2.874 -5.973 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.147 8.168 -11.726 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.320 9.208 -12.367 1.00 0.00 C ATOM 1701 C TRP A 113 -1.307 9.737 -11.339 1.00 0.00 C ATOM 1702 O TRP A 113 -1.526 9.600 -10.129 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.230 10.348 -12.919 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.109 9.906 -14.073 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -3.818 10.014 -15.401 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.399 9.274 -14.005 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -4.830 9.492 -16.156 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -5.813 9.034 -15.327 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.240 8.891 -12.957 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.027 8.429 -15.632 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.448 8.289 -13.257 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.830 8.062 -14.587 1.00 0.00 C ATOM 0 H TRP A 113 -3.670 8.515 -10.922 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.773 8.790 -13.212 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.861 10.723 -12.113 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -2.604 11.178 -13.245 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.914 10.451 -15.800 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.848 9.451 -17.175 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.951 9.062 -11.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.325 8.255 -16.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.107 7.989 -12.455 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.778 7.587 -14.791 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.201 10.320 -11.823 1.00 0.00 N ATOM 1724 CA GLY A 114 0.881 10.788 -10.953 1.00 0.00 C ATOM 1725 C GLY A 114 0.552 12.094 -10.246 1.00 0.00 C ATOM 1726 O GLY A 114 0.217 12.105 -9.054 1.00 0.00 O ATOM 0 H GLY A 114 -0.034 10.478 -12.817 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.098 10.022 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.786 10.920 -11.546 1.00 0.00 H new ATOM 1730 N GLN A 115 0.634 13.195 -10.998 1.00 0.00 N ATOM 1731 CA GLN A 115 0.369 14.550 -10.494 1.00 0.00 C ATOM 1732 C GLN A 115 0.013 15.474 -11.664 1.00 0.00 C ATOM 1733 O GLN A 115 -0.943 16.252 -11.584 1.00 0.00 O ATOM 1734 CB GLN A 115 1.598 15.099 -9.696 1.00 0.00 C ATOM 1735 CG GLN A 115 2.933 15.076 -10.473 1.00 0.00 C ATOM 1736 CD GLN A 115 4.128 15.566 -9.661 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.786 14.789 -8.977 1.00 0.00 O ATOM 1738 NE2 GLN A 115 4.436 16.851 -9.746 1.00 0.00 N ATOM 0 H GLN A 115 0.889 13.173 -11.985 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.476 14.513 -9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.388 16.124 -9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.713 14.513 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.128 14.058 -10.811 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.834 15.694 -11.365 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.871 17.474 -10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.239 17.218 -9.235 1.00 0.00 H new ATOM 1747 N GLY A 116 0.761 15.340 -12.766 1.00 0.00 N ATOM 1748 CA GLY A 116 0.657 16.242 -13.899 1.00 0.00 C ATOM 1749 C GLY A 116 1.765 17.281 -13.896 1.00 0.00 C ATOM 1750 O GLY A 116 1.806 18.142 -13.008 1.00 0.00 O ATOM 0 H GLY A 116 1.453 14.600 -12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.699 15.669 -14.825 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.311 16.743 -13.877 1.00 0.00 H new ATOM 1754 N THR A 117 2.659 17.221 -14.892 1.00 0.00 N ATOM 1755 CA THR A 117 3.761 18.186 -15.042 1.00 0.00 C ATOM 1756 C THR A 117 3.343 19.294 -16.047 1.00 0.00 C ATOM 1757 O THR A 117 3.180 19.055 -17.256 1.00 0.00 O ATOM 1758 CB THR A 117 5.113 17.479 -15.453 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.143 18.450 -15.676 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.984 16.569 -16.686 1.00 0.00 C ATOM 0 H THR A 117 2.640 16.504 -15.617 1.00 0.00 H new ATOM 0 HA THR A 117 3.955 18.653 -14.076 1.00 0.00 H new ATOM 0 HB THR A 117 5.379 16.837 -14.613 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.244 18.605 -16.638 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.951 16.118 -16.908 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.256 15.784 -16.484 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.654 17.159 -17.541 1.00 0.00 H new ATOM 1768 N GLN A 118 3.108 20.498 -15.489 1.00 0.00 N ATOM 1769 CA GLN A 118 2.605 21.670 -16.223 1.00 0.00 C ATOM 1770 C GLN A 118 3.681 22.250 -17.152 1.00 0.00 C ATOM 1771 O GLN A 118 4.649 22.864 -16.692 1.00 0.00 O ATOM 1772 CB GLN A 118 2.101 22.748 -15.214 1.00 0.00 C ATOM 1773 CG GLN A 118 0.839 22.335 -14.413 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.511 22.558 -15.140 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.536 22.582 -16.474 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 -1.538 22.750 -14.490 1.00 0.00 N flip ATOM 0 H GLN A 118 3.266 20.684 -14.499 1.00 0.00 H new ATOM 0 HA GLN A 118 1.771 21.354 -16.850 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.904 22.975 -14.512 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.886 23.667 -15.760 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.923 21.280 -14.154 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.825 22.893 -13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.508 22.729 -13.471 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.420 22.930 -14.971 1.00 0.00 H new ATOM 1785 N VAL A 119 3.510 22.015 -18.458 1.00 0.00 N ATOM 1786 CA VAL A 119 4.380 22.556 -19.508 1.00 0.00 C ATOM 1787 C VAL A 119 3.689 23.789 -20.120 1.00 0.00 C ATOM 1788 O VAL A 119 2.524 23.723 -20.511 1.00 0.00 O ATOM 1789 CB VAL A 119 4.713 21.458 -20.600 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.536 20.298 -19.979 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.432 20.904 -21.286 1.00 0.00 C ATOM 0 H VAL A 119 2.753 21.436 -18.820 1.00 0.00 H new ATOM 0 HA VAL A 119 5.337 22.857 -19.081 1.00 0.00 H new ATOM 0 HB VAL A 119 5.311 21.945 -21.370 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.754 19.555 -20.746 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.471 20.689 -19.577 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.962 19.834 -19.177 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.711 20.155 -22.027 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.785 20.449 -20.536 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.901 21.719 -21.777 1.00 0.00 H new ATOM 1801 N THR A 120 4.377 24.933 -20.138 1.00 0.00 N ATOM 1802 CA THR A 120 3.832 26.179 -20.688 1.00 0.00 C ATOM 1803 C THR A 120 4.738 26.630 -21.833 1.00 0.00 C ATOM 1804 O THR A 120 5.844 27.089 -21.598 1.00 0.00 O ATOM 1805 CB THR A 120 3.746 27.271 -19.568 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.055 26.734 -18.430 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.032 28.555 -20.032 1.00 0.00 C ATOM 0 H THR A 120 5.325 25.023 -19.773 1.00 0.00 H new ATOM 0 HA THR A 120 2.822 26.020 -21.066 1.00 0.00 H new ATOM 0 HB THR A 120 4.769 27.544 -19.311 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.002 27.416 -17.728 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.004 29.273 -19.212 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.572 28.987 -20.874 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.014 28.315 -20.338 1.00 0.00 H new ATOM 1815 N VAL A 121 4.303 26.446 -23.079 1.00 0.00 N ATOM 1816 CA VAL A 121 5.133 26.798 -24.228 1.00 0.00 C ATOM 1817 C VAL A 121 4.888 28.265 -24.638 1.00 0.00 C ATOM 1818 O VAL A 121 3.824 28.598 -25.181 1.00 0.00 O ATOM 1819 CB VAL A 121 4.903 25.822 -25.432 1.00 0.00 C ATOM 1820 CG1 VAL A 121 5.795 26.192 -26.636 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.146 24.354 -25.000 1.00 0.00 C ATOM 0 H VAL A 121 3.390 26.059 -23.316 1.00 0.00 H new ATOM 0 HA VAL A 121 6.177 26.694 -23.932 1.00 0.00 H new ATOM 0 HB VAL A 121 3.864 25.922 -25.747 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.610 25.495 -27.453 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.562 27.205 -26.963 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.843 26.137 -26.343 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.981 23.692 -25.850 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.172 24.243 -24.648 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.457 24.092 -24.197 1.00 0.00 H new ATOM 1831 N SER A 122 5.866 29.156 -24.322 1.00 0.00 N ATOM 1832 CA SER A 122 5.933 30.496 -24.928 1.00 0.00 C ATOM 1833 C SER A 122 6.044 30.389 -26.459 1.00 0.00 C ATOM 1834 O SER A 122 6.764 29.529 -26.975 1.00 0.00 O ATOM 1835 CB SER A 122 7.139 31.286 -24.378 1.00 0.00 C ATOM 1836 OG SER A 122 6.930 31.683 -23.049 1.00 0.00 O ATOM 0 H SER A 122 6.612 28.963 -23.653 1.00 0.00 H new ATOM 0 HA SER A 122 5.016 31.027 -24.671 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.037 30.671 -24.438 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.313 32.165 -24.998 1.00 0.00 H new ATOM 0 HG SER A 122 6.056 32.120 -22.972 1.00 0.00 H new ATOM 1842 N SER A 123 5.328 31.265 -27.171 1.00 0.00 N ATOM 1843 CA SER A 123 5.353 31.303 -28.637 1.00 0.00 C ATOM 1844 C SER A 123 6.698 31.880 -29.116 1.00 0.00 C ATOM 1845 O SER A 123 6.868 33.101 -29.188 1.00 0.00 O ATOM 1846 CB SER A 123 4.170 32.138 -29.160 1.00 0.00 C ATOM 1847 OG SER A 123 2.934 31.655 -28.650 1.00 0.00 O ATOM 0 H SER A 123 4.717 31.965 -26.750 1.00 0.00 H new ATOM 0 HA SER A 123 5.253 30.292 -29.033 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.302 33.181 -28.872 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.154 32.108 -30.249 1.00 0.00 H new ATOM 0 HG SER A 123 2.200 32.204 -28.997 1.00 0.00 H new ATOM 1853 N LEU A 124 7.673 30.963 -29.340 1.00 0.00 N ATOM 1854 CA LEU A 124 9.037 31.256 -29.851 1.00 0.00 C ATOM 1855 C LEU A 124 9.958 31.928 -28.787 1.00 0.00 C ATOM 1856 O LEU A 124 11.188 31.814 -28.884 1.00 0.00 O ATOM 1857 CB LEU A 124 9.007 32.088 -31.182 1.00 0.00 C ATOM 1858 CG LEU A 124 8.473 31.380 -32.479 1.00 0.00 C ATOM 1859 CD1 LEU A 124 9.189 30.042 -32.729 1.00 0.00 C ATOM 1860 CD2 LEU A 124 6.939 31.205 -32.479 1.00 0.00 C ATOM 0 H LEU A 124 7.527 29.969 -29.165 1.00 0.00 H new ATOM 0 HA LEU A 124 9.478 30.285 -30.078 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.396 32.974 -31.009 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.021 32.434 -31.383 1.00 0.00 H new ATOM 0 HG LEU A 124 8.708 32.047 -33.309 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.794 29.581 -33.634 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.258 30.218 -32.849 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.024 29.377 -31.881 1.00 0.00 H new ATOM 0 HD21 LEU A 124 6.629 30.710 -33.400 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.642 30.598 -31.623 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.461 32.183 -32.414 1.00 0.00 H new ATOM 1872 N GLU A 125 9.359 32.582 -27.773 1.00 0.00 N ATOM 1873 CA GLU A 125 10.082 33.350 -26.742 1.00 0.00 C ATOM 1874 C GLU A 125 10.708 32.405 -25.698 1.00 0.00 C ATOM 1875 O GLU A 125 10.126 31.377 -25.355 1.00 0.00 O ATOM 1876 CB GLU A 125 9.107 34.343 -26.056 1.00 0.00 C ATOM 1877 CG GLU A 125 8.385 35.298 -27.032 1.00 0.00 C ATOM 1878 CD GLU A 125 7.406 36.246 -26.324 1.00 0.00 C ATOM 1879 OE1 GLU A 125 6.249 35.841 -26.071 1.00 0.00 O ATOM 1880 OE2 GLU A 125 7.798 37.392 -25.991 1.00 0.00 O ATOM 0 H GLU A 125 8.347 32.592 -27.646 1.00 0.00 H new ATOM 0 HA GLU A 125 10.888 33.909 -27.218 1.00 0.00 H new ATOM 0 HB2 GLU A 125 8.360 33.776 -25.501 1.00 0.00 H new ATOM 0 HB3 GLU A 125 9.662 34.936 -25.329 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.127 35.886 -27.572 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.843 34.711 -27.773 1.00 0.00 H new ATOM 1887 N HIS A 126 11.881 32.783 -25.185 1.00 0.00 N ATOM 1888 CA HIS A 126 12.679 31.943 -24.275 1.00 0.00 C ATOM 1889 C HIS A 126 12.475 32.380 -22.814 1.00 0.00 C ATOM 1890 O HIS A 126 12.292 33.577 -22.532 1.00 0.00 O ATOM 1891 CB HIS A 126 14.172 32.034 -24.673 1.00 0.00 C ATOM 1892 CG HIS A 126 14.458 31.490 -26.048 1.00 0.00 C ATOM 1893 ND1 HIS A 126 14.063 32.131 -27.206 1.00 0.00 N ATOM 1894 CD2 HIS A 126 15.075 30.355 -26.450 1.00 0.00 C ATOM 1895 CE1 HIS A 126 14.421 31.417 -28.249 1.00 0.00 C ATOM 1896 NE2 HIS A 126 15.040 30.334 -27.822 1.00 0.00 N ATOM 0 H HIS A 126 12.311 33.686 -25.388 1.00 0.00 H new ATOM 0 HA HIS A 126 12.350 30.907 -24.360 1.00 0.00 H new ATOM 0 HB2 HIS A 126 14.489 33.076 -24.629 1.00 0.00 H new ATOM 0 HB3 HIS A 126 14.769 31.488 -23.943 1.00 0.00 H new ATOM 0 HD2 HIS A 126 15.514 29.604 -25.810 1.00 0.00 H new ATOM 0 HE1 HIS A 126 14.239 31.674 -29.282 1.00 0.00 H new ATOM 0 HE2 HIS A 126 15.429 29.600 -28.414 1.00 0.00 H new ATOM 1905 N HIS A 127 12.506 31.399 -21.900 1.00 0.00 N ATOM 1906 CA HIS A 127 12.367 31.624 -20.454 1.00 0.00 C ATOM 1907 C HIS A 127 13.721 32.027 -19.848 1.00 0.00 C ATOM 1908 O HIS A 127 14.567 31.172 -19.567 1.00 0.00 O ATOM 1909 CB HIS A 127 11.810 30.358 -19.750 1.00 0.00 C ATOM 1910 CG HIS A 127 11.693 30.487 -18.250 1.00 0.00 C ATOM 1911 ND1 HIS A 127 12.583 29.910 -17.372 1.00 0.00 N ATOM 1912 CD2 HIS A 127 10.792 31.138 -17.486 1.00 0.00 C ATOM 1913 CE1 HIS A 127 12.233 30.211 -16.137 1.00 0.00 C ATOM 1914 NE2 HIS A 127 11.148 30.952 -16.176 1.00 0.00 N ATOM 0 H HIS A 127 12.630 30.417 -22.147 1.00 0.00 H new ATOM 0 HA HIS A 127 11.658 32.437 -20.298 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.827 30.129 -20.162 1.00 0.00 H new ATOM 0 HB3 HIS A 127 12.457 29.512 -19.982 1.00 0.00 H new ATOM 0 HD2 HIS A 127 9.944 31.703 -17.842 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.752 29.900 -15.242 1.00 0.00 H new ATOM 0 HE2 HIS A 127 10.654 31.326 -15.366 1.00 0.00 H new ATOM 1923 N HIS A 128 13.923 33.339 -19.696 1.00 0.00 N ATOM 1924 CA HIS A 128 15.101 33.895 -19.010 1.00 0.00 C ATOM 1925 C HIS A 128 14.928 33.730 -17.483 1.00 0.00 C ATOM 1926 O HIS A 128 14.040 34.344 -16.877 1.00 0.00 O ATOM 1927 CB HIS A 128 15.340 35.387 -19.409 1.00 0.00 C ATOM 1928 CG HIS A 128 14.180 36.322 -19.151 1.00 0.00 C ATOM 1929 ND1 HIS A 128 14.151 37.221 -18.106 1.00 0.00 N ATOM 1930 CD2 HIS A 128 13.011 36.487 -19.811 1.00 0.00 C ATOM 1931 CE1 HIS A 128 13.013 37.884 -18.127 1.00 0.00 C ATOM 1932 NE2 HIS A 128 12.302 37.459 -19.154 1.00 0.00 N ATOM 0 H HIS A 128 13.277 34.048 -20.043 1.00 0.00 H new ATOM 0 HA HIS A 128 15.989 33.345 -19.322 1.00 0.00 H new ATOM 0 HB2 HIS A 128 16.210 35.756 -18.865 1.00 0.00 H new ATOM 0 HB3 HIS A 128 15.587 35.426 -20.470 1.00 0.00 H new ATOM 0 HD2 HIS A 128 12.694 35.951 -20.694 1.00 0.00 H new ATOM 0 HE1 HIS A 128 12.713 38.646 -17.423 1.00 0.00 H new ATOM 0 HE2 HIS A 128 11.376 37.798 -19.416 1.00 0.00 H new ATOM 1941 N HIS A 129 15.753 32.851 -16.889 1.00 0.00 N ATOM 1942 CA HIS A 129 15.738 32.564 -15.444 1.00 0.00 C ATOM 1943 C HIS A 129 16.237 33.769 -14.638 1.00 0.00 C ATOM 1944 O HIS A 129 17.251 34.390 -14.984 1.00 0.00 O ATOM 1945 CB HIS A 129 16.610 31.321 -15.109 1.00 0.00 C ATOM 1946 CG HIS A 129 15.997 30.007 -15.504 1.00 0.00 C ATOM 1947 ND1 HIS A 129 15.255 29.239 -14.628 1.00 0.00 N ATOM 1948 CD2 HIS A 129 16.031 29.312 -16.668 1.00 0.00 C ATOM 1949 CE1 HIS A 129 14.865 28.136 -15.232 1.00 0.00 C ATOM 1950 NE2 HIS A 129 15.321 28.156 -16.470 1.00 0.00 N ATOM 0 H HIS A 129 16.454 32.316 -17.402 1.00 0.00 H new ATOM 0 HA HIS A 129 14.705 32.355 -15.168 1.00 0.00 H new ATOM 0 HB2 HIS A 129 17.573 31.423 -15.608 1.00 0.00 H new ATOM 0 HB3 HIS A 129 16.806 31.309 -14.037 1.00 0.00 H new ATOM 0 HD2 HIS A 129 16.525 29.613 -17.580 1.00 0.00 H new ATOM 0 HE1 HIS A 129 14.273 27.349 -14.789 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.170 27.428 -17.168 1.00 0.00 H new ATOM 1959 N HIS A 130 15.496 34.093 -13.579 1.00 0.00 N ATOM 1960 CA HIS A 130 15.889 35.087 -12.579 1.00 0.00 C ATOM 1961 C HIS A 130 15.698 34.472 -11.185 1.00 0.00 C ATOM 1962 O HIS A 130 14.653 33.875 -10.903 1.00 0.00 O ATOM 1963 CB HIS A 130 15.059 36.389 -12.724 1.00 0.00 C ATOM 1964 CG HIS A 130 15.375 37.437 -11.678 1.00 0.00 C ATOM 1965 ND1 HIS A 130 14.446 37.909 -10.774 1.00 0.00 N ATOM 1966 CD2 HIS A 130 16.534 38.083 -11.386 1.00 0.00 C ATOM 1967 CE1 HIS A 130 15.012 38.795 -9.981 1.00 0.00 C ATOM 1968 NE2 HIS A 130 16.276 38.921 -10.330 1.00 0.00 N ATOM 0 H HIS A 130 14.590 33.665 -13.388 1.00 0.00 H new ATOM 0 HA HIS A 130 16.935 35.357 -12.727 1.00 0.00 H new ATOM 0 HB2 HIS A 130 15.235 36.812 -13.713 1.00 0.00 H new ATOM 0 HB3 HIS A 130 13.999 36.141 -12.667 1.00 0.00 H new ATOM 0 HD2 HIS A 130 17.481 37.960 -11.890 1.00 0.00 H new ATOM 0 HE1 HIS A 130 14.522 39.328 -9.180 1.00 0.00 H new ATOM 0 HE2 HIS A 130 16.954 39.541 -9.887 1.00 0.00 H new ATOM 1977 N HIS A 131 16.718 34.605 -10.333 1.00 0.00 N ATOM 1978 CA HIS A 131 16.685 34.114 -8.949 1.00 0.00 C ATOM 1979 C HIS A 131 16.205 35.262 -8.035 1.00 0.00 C ATOM 1980 O HIS A 131 16.971 36.233 -7.836 1.00 0.00 O ATOM 1981 CB HIS A 131 18.087 33.583 -8.529 1.00 0.00 C ATOM 1982 CG HIS A 131 18.608 32.477 -9.417 1.00 0.00 C ATOM 1983 ND1 HIS A 131 18.517 31.137 -9.097 1.00 0.00 N ATOM 1984 CD2 HIS A 131 19.234 32.524 -10.620 1.00 0.00 C ATOM 1985 CE1 HIS A 131 19.065 30.416 -10.058 1.00 0.00 C ATOM 1986 NE2 HIS A 131 19.502 31.230 -10.995 1.00 0.00 N ATOM 1987 OXT HIS A 131 15.055 35.211 -7.552 1.00 0.00 O ATOM 0 H HIS A 131 17.596 35.059 -10.584 1.00 0.00 H new ATOM 0 HA HIS A 131 15.991 33.279 -8.858 1.00 0.00 H new ATOM 0 HB2 HIS A 131 18.797 34.410 -8.539 1.00 0.00 H new ATOM 0 HB3 HIS A 131 18.036 33.219 -7.503 1.00 0.00 H new ATOM 0 HD2 HIS A 131 19.477 33.415 -11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 131 19.142 29.339 -10.073 1.00 0.00 H new ATOM 0 HE2 HIS A 131 19.964 30.946 -11.859 1.00 0.00 H new TER 1996 HIS A 131