USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 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 15 LYS NZ :NH3+ -170:sc= 0.0771 (180deg=0) USER MOD Set 1.2: A 76 SER OG : rot -140:sc= 0.0744 USER MOD Single : A 2 SER OG : rot 141:sc= 1.23 USER MOD Single : A 4 ASN : amide:sc=-0.00342 X(o=-0.0034,f=0.39) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 175:sc= 0.399 USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= 0.812 (180deg=-0.704) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.229 (180deg=-0.794) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.595 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -150:sc= -0.397 USER MOD Single : A 46 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.29) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -140:sc= 0.912 (180deg=-1.85!) USER MOD Single : A 61 MET CE :methyl -137:sc= -0.0586 (180deg=-1.3) USER MOD Single : A 62 THR OG1 : rot -47:sc= 0.247 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.27) USER MOD Single : A 72 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 79 LYS NZ :NH3+ 145:sc= -1.84! (180deg=-2.72!) USER MOD Single : A 90 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.12) USER MOD Single : A 91 SER OG : rot -85:sc= 0.891 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc=-0.00141 (180deg=-0.144) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.944) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -5.001 21.533 -2.536 1.00 0.00 N ATOM 15 CA SER A 2 -5.147 20.141 -2.138 1.00 0.00 C ATOM 16 C SER A 2 -4.322 19.221 -3.038 1.00 0.00 C ATOM 17 O SER A 2 -3.958 19.589 -4.159 1.00 0.00 O ATOM 18 CB SER A 2 -6.616 19.746 -2.189 1.00 0.00 C ATOM 19 OG SER A 2 -7.412 20.663 -1.456 1.00 0.00 O ATOM 0 HA SER A 2 -4.777 20.033 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.952 19.714 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.741 18.743 -1.782 1.00 0.00 H new ATOM 0 HG SER A 2 -8.255 20.817 -1.931 1.00 0.00 H new ATOM 25 N ARG A 3 -4.051 18.020 -2.550 1.00 0.00 N ATOM 26 CA ARG A 3 -3.206 17.071 -3.255 1.00 0.00 C ATOM 27 C ARG A 3 -4.062 15.987 -3.902 1.00 0.00 C ATOM 28 O ARG A 3 -5.212 15.787 -3.512 1.00 0.00 O ATOM 29 CB ARG A 3 -2.223 16.437 -2.264 1.00 0.00 C ATOM 30 CG ARG A 3 -1.076 15.671 -2.908 1.00 0.00 C ATOM 31 CD ARG A 3 -0.122 16.604 -3.635 1.00 0.00 C ATOM 32 NE ARG A 3 0.406 17.642 -2.751 1.00 0.00 N ATOM 33 CZ ARG A 3 1.249 18.591 -3.136 1.00 0.00 C ATOM 34 NH1 ARG A 3 1.740 18.589 -4.372 1.00 0.00 N ATOM 35 NH2 ARG A 3 1.623 19.529 -2.271 1.00 0.00 N ATOM 0 H ARG A 3 -4.409 17.678 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.652 17.591 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.808 17.222 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.773 15.760 -1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.532 15.117 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.475 14.938 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.704 16.027 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.639 17.070 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 3 0.107 17.636 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.469 17.856 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.388 19.320 -4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.262 19.516 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.271 20.261 -2.561 1.00 0.00 H new ATOM 49 N ASN A 4 -3.513 15.324 -4.908 1.00 0.00 N ATOM 50 CA ASN A 4 -4.141 14.150 -5.500 1.00 0.00 C ATOM 51 C ASN A 4 -3.102 13.286 -6.209 1.00 0.00 C ATOM 52 O ASN A 4 -2.592 13.646 -7.269 1.00 0.00 O ATOM 53 CB ASN A 4 -5.296 14.526 -6.448 1.00 0.00 C ATOM 54 CG ASN A 4 -5.037 15.751 -7.315 1.00 0.00 C ATOM 55 OD1 ASN A 4 -3.903 16.059 -7.690 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.105 16.467 -7.634 1.00 0.00 N ATOM 0 H ASN A 4 -2.624 15.582 -5.336 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.577 13.568 -4.689 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.506 13.676 -7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.193 14.702 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.005 17.304 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.027 16.181 -7.305 1.00 0.00 H new ATOM 63 N PRO A 5 -2.743 12.145 -5.594 1.00 0.00 N ATOM 64 CA PRO A 5 -1.745 11.218 -6.132 1.00 0.00 C ATOM 65 C PRO A 5 -2.301 10.327 -7.244 1.00 0.00 C ATOM 66 O PRO A 5 -3.340 10.625 -7.833 1.00 0.00 O ATOM 67 CB PRO A 5 -1.346 10.363 -4.914 1.00 0.00 C ATOM 68 CG PRO A 5 -2.103 10.914 -3.745 1.00 0.00 C ATOM 69 CD PRO A 5 -3.269 11.665 -4.314 1.00 0.00 C ATOM 0 HA PRO A 5 -0.912 11.753 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.594 9.314 -5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.271 10.413 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.440 10.113 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.471 11.571 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.139 11.022 -4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.577 12.487 -3.668 1.00 0.00 H new ATOM 77 N GLU A 6 -1.596 9.236 -7.523 1.00 0.00 N ATOM 78 CA GLU A 6 -1.990 8.310 -8.573 1.00 0.00 C ATOM 79 C GLU A 6 -3.275 7.579 -8.194 1.00 0.00 C ATOM 80 O GLU A 6 -3.403 7.053 -7.082 1.00 0.00 O ATOM 81 CB GLU A 6 -0.860 7.316 -8.835 1.00 0.00 C ATOM 82 CG GLU A 6 -1.113 6.391 -10.010 1.00 0.00 C ATOM 83 CD GLU A 6 0.056 5.467 -10.266 1.00 0.00 C ATOM 84 OE1 GLU A 6 0.161 4.429 -9.583 1.00 0.00 O ATOM 85 OE2 GLU A 6 0.891 5.787 -11.136 1.00 0.00 O ATOM 0 H GLU A 6 -0.742 8.972 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.183 8.873 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.062 7.869 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.704 6.715 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.008 5.799 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.308 6.985 -10.903 1.00 0.00 H new ATOM 92 N VAL A 7 -4.222 7.567 -9.120 1.00 0.00 N ATOM 93 CA VAL A 7 -5.520 6.955 -8.901 1.00 0.00 C ATOM 94 C VAL A 7 -5.793 5.886 -9.955 1.00 0.00 C ATOM 95 O VAL A 7 -5.843 6.176 -11.152 1.00 0.00 O ATOM 96 CB VAL A 7 -6.640 8.021 -8.936 1.00 0.00 C ATOM 97 CG1 VAL A 7 -8.014 7.376 -8.885 1.00 0.00 C ATOM 98 CG2 VAL A 7 -6.478 9.006 -7.787 1.00 0.00 C ATOM 0 H VAL A 7 -4.110 7.982 -10.045 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.510 6.488 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.554 8.563 -9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.781 8.150 -8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.137 6.714 -9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.112 6.800 -7.965 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.275 9.748 -7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.530 8.471 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.513 9.506 -7.869 1.00 0.00 H new ATOM 108 N LEU A 8 -5.955 4.649 -9.505 1.00 0.00 N ATOM 109 CA LEU A 8 -6.219 3.532 -10.399 1.00 0.00 C ATOM 110 C LEU A 8 -7.616 2.997 -10.140 1.00 0.00 C ATOM 111 O LEU A 8 -8.117 3.087 -9.022 1.00 0.00 O ATOM 112 CB LEU A 8 -5.196 2.410 -10.174 1.00 0.00 C ATOM 113 CG LEU A 8 -3.752 2.867 -9.966 1.00 0.00 C ATOM 114 CD1 LEU A 8 -2.869 1.689 -9.589 1.00 0.00 C ATOM 115 CD2 LEU A 8 -3.221 3.543 -11.214 1.00 0.00 C ATOM 0 H LEU A 8 -5.908 4.394 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.139 3.881 -11.429 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.504 1.831 -9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.226 1.738 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.737 3.588 -9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.845 2.033 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.235 1.241 -8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.893 0.946 -10.386 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.192 3.861 -11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.253 2.843 -12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.836 4.412 -11.447 1.00 0.00 H new ATOM 127 N TRP A 9 -8.262 2.466 -11.162 1.00 0.00 N ATOM 128 CA TRP A 9 -9.552 1.828 -10.961 1.00 0.00 C ATOM 129 C TRP A 9 -9.529 0.383 -11.436 1.00 0.00 C ATOM 130 O TRP A 9 -8.756 0.014 -12.322 1.00 0.00 O ATOM 131 CB TRP A 9 -10.679 2.602 -11.649 1.00 0.00 C ATOM 132 CG TRP A 9 -10.582 2.635 -13.140 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.712 3.368 -13.881 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.401 1.914 -14.068 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.928 3.148 -15.219 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.963 2.260 -15.360 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.460 1.009 -13.931 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.550 1.732 -16.508 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -13.040 0.487 -15.069 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.585 0.850 -16.345 1.00 0.00 C ATOM 0 H TRP A 9 -7.923 2.462 -12.124 1.00 0.00 H new ATOM 0 HA TRP A 9 -9.750 1.834 -9.889 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.634 2.157 -11.369 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.682 3.626 -11.274 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.959 4.028 -13.477 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.404 3.575 -15.983 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.817 0.724 -12.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.201 2.009 -17.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.858 -0.212 -14.976 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.060 0.425 -17.217 1.00 0.00 H new ATOM 151 N ALA A 10 -10.377 -0.419 -10.818 1.00 0.00 N ATOM 152 CA ALA A 10 -10.500 -1.836 -11.128 1.00 0.00 C ATOM 153 C ALA A 10 -11.950 -2.258 -10.976 1.00 0.00 C ATOM 154 O ALA A 10 -12.673 -1.684 -10.170 1.00 0.00 O ATOM 155 CB ALA A 10 -9.615 -2.657 -10.202 1.00 0.00 C ATOM 0 H ALA A 10 -11.006 -0.104 -10.080 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.178 -2.009 -12.155 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.717 -3.715 -10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.576 -2.354 -10.329 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.918 -2.491 -9.168 1.00 0.00 H new ATOM 161 N GLN A 11 -12.389 -3.249 -11.734 1.00 0.00 N ATOM 162 CA GLN A 11 -13.786 -3.648 -11.679 1.00 0.00 C ATOM 163 C GLN A 11 -13.945 -5.128 -11.357 1.00 0.00 C ATOM 164 O GLN A 11 -13.105 -5.960 -11.714 1.00 0.00 O ATOM 165 CB GLN A 11 -14.496 -3.331 -13.001 1.00 0.00 C ATOM 166 CG GLN A 11 -14.068 -4.222 -14.159 1.00 0.00 C ATOM 167 CD GLN A 11 -14.942 -4.052 -15.387 1.00 0.00 C ATOM 168 OE1 GLN A 11 -14.655 -3.239 -16.265 1.00 0.00 O ATOM 169 NE2 GLN A 11 -16.019 -4.818 -15.454 1.00 0.00 N ATOM 0 H GLN A 11 -11.812 -3.783 -12.383 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.246 -3.074 -10.874 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.572 -3.430 -12.857 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.304 -2.291 -13.265 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.034 -3.998 -14.421 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.097 -5.264 -13.840 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.222 -5.480 -14.705 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.647 -4.747 -16.255 1.00 0.00 H new ATOM 178 N ARG A 12 -15.024 -5.430 -10.655 1.00 0.00 N ATOM 179 CA ARG A 12 -15.464 -6.795 -10.442 1.00 0.00 C ATOM 180 C ARG A 12 -16.572 -7.106 -11.433 1.00 0.00 C ATOM 181 O ARG A 12 -16.770 -6.366 -12.401 1.00 0.00 O ATOM 182 CB ARG A 12 -15.987 -6.989 -9.014 1.00 0.00 C ATOM 183 CG ARG A 12 -14.931 -6.841 -7.929 1.00 0.00 C ATOM 184 CD ARG A 12 -13.892 -7.948 -8.000 1.00 0.00 C ATOM 185 NE ARG A 12 -14.498 -9.279 -7.934 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.798 -10.408 -7.866 1.00 0.00 C ATOM 187 NH1 ARG A 12 -12.480 -10.358 -7.759 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.421 -11.580 -7.878 1.00 0.00 N ATOM 0 H ARG A 12 -15.621 -4.730 -10.215 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.619 -7.467 -10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -16.782 -6.266 -8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.433 -7.980 -8.936 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.439 -5.873 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.411 -6.854 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.326 -7.854 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.183 -7.832 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.516 -9.344 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.005 -9.456 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.939 -11.221 -7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.439 -11.616 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.882 -12.445 -7.826 1.00 0.00 H new ATOM 202 N SER A 13 -17.293 -8.188 -11.200 1.00 0.00 N ATOM 203 CA SER A 13 -18.415 -8.546 -12.051 1.00 0.00 C ATOM 204 C SER A 13 -19.581 -7.568 -11.855 1.00 0.00 C ATOM 205 O SER A 13 -20.357 -7.327 -12.778 1.00 0.00 O ATOM 206 CB SER A 13 -18.853 -9.979 -11.748 1.00 0.00 C ATOM 207 OG SER A 13 -17.740 -10.867 -11.799 1.00 0.00 O ATOM 0 H SER A 13 -17.122 -8.834 -10.429 1.00 0.00 H new ATOM 0 HA SER A 13 -18.102 -8.485 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.315 -10.023 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.609 -10.293 -12.468 1.00 0.00 H new ATOM 0 HG SER A 13 -18.040 -11.779 -11.601 1.00 0.00 H new ATOM 213 N ASP A 14 -19.693 -6.986 -10.661 1.00 0.00 N ATOM 214 CA ASP A 14 -20.786 -6.054 -10.377 1.00 0.00 C ATOM 215 C ASP A 14 -20.270 -4.784 -9.698 1.00 0.00 C ATOM 216 O ASP A 14 -20.652 -3.670 -10.062 1.00 0.00 O ATOM 217 CB ASP A 14 -21.854 -6.719 -9.494 1.00 0.00 C ATOM 218 CG ASP A 14 -23.233 -6.085 -9.645 1.00 0.00 C ATOM 219 OD1 ASP A 14 -23.320 -4.871 -9.926 1.00 0.00 O ATOM 220 OD2 ASP A 14 -24.245 -6.807 -9.505 1.00 0.00 O ATOM 0 H ASP A 14 -19.050 -7.140 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 14 -21.236 -5.778 -11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -21.918 -7.778 -9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -21.544 -6.657 -8.451 1.00 0.00 H new ATOM 225 N LYS A 15 -19.391 -4.952 -8.719 1.00 0.00 N ATOM 226 CA LYS A 15 -18.879 -3.819 -7.956 1.00 0.00 C ATOM 227 C LYS A 15 -17.562 -3.303 -8.536 1.00 0.00 C ATOM 228 O LYS A 15 -16.877 -4.012 -9.268 1.00 0.00 O ATOM 229 CB LYS A 15 -18.704 -4.211 -6.484 1.00 0.00 C ATOM 230 CG LYS A 15 -17.776 -5.397 -6.264 1.00 0.00 C ATOM 231 CD LYS A 15 -17.825 -5.884 -4.826 1.00 0.00 C ATOM 232 CE LYS A 15 -17.412 -4.798 -3.845 1.00 0.00 C ATOM 233 NZ LYS A 15 -17.549 -5.243 -2.435 1.00 0.00 N ATOM 0 H LYS A 15 -19.018 -5.858 -8.434 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.606 -3.010 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.317 -3.353 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.682 -4.445 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.057 -6.209 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.755 -5.113 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.835 -6.221 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.167 -6.746 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.378 -4.511 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.024 -3.911 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.423 -4.429 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.494 -5.651 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.826 -5.961 -2.226 1.00 0.00 H new ATOM 247 N VAL A 16 -17.224 -2.063 -8.209 1.00 0.00 N ATOM 248 CA VAL A 16 -16.011 -1.425 -8.706 1.00 0.00 C ATOM 249 C VAL A 16 -15.099 -1.033 -7.537 1.00 0.00 C ATOM 250 O VAL A 16 -15.574 -0.692 -6.451 1.00 0.00 O ATOM 251 CB VAL A 16 -16.350 -0.163 -9.540 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.099 0.443 -10.164 1.00 0.00 C ATOM 253 CG2 VAL A 16 -17.374 -0.487 -10.622 1.00 0.00 C ATOM 0 H VAL A 16 -17.781 -1.471 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.495 -2.141 -9.346 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.780 0.572 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.372 1.326 -10.742 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.400 0.726 -9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.629 -0.289 -10.820 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.596 0.414 -11.194 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -16.971 -1.250 -11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.288 -0.857 -10.158 1.00 0.00 H new ATOM 263 N TYR A 17 -13.794 -1.113 -7.763 1.00 0.00 N ATOM 264 CA TYR A 17 -12.807 -0.722 -6.771 1.00 0.00 C ATOM 265 C TYR A 17 -12.045 0.510 -7.236 1.00 0.00 C ATOM 266 O TYR A 17 -11.786 0.680 -8.429 1.00 0.00 O ATOM 267 CB TYR A 17 -11.799 -1.848 -6.525 1.00 0.00 C ATOM 268 CG TYR A 17 -12.386 -3.100 -5.920 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.342 -3.034 -4.914 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.965 -4.352 -6.342 1.00 0.00 C ATOM 271 CE1 TYR A 17 -13.855 -4.183 -4.343 1.00 0.00 C ATOM 272 CE2 TYR A 17 -12.477 -5.504 -5.781 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.422 -5.416 -4.784 1.00 0.00 C ATOM 274 OH TYR A 17 -13.927 -6.566 -4.221 1.00 0.00 O ATOM 0 H TYR A 17 -13.393 -1.450 -8.638 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.343 -0.505 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.325 -2.106 -7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.014 -1.477 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.689 -2.070 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.223 -4.427 -7.123 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.591 -4.116 -3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.138 -6.471 -6.123 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.517 -7.347 -4.648 1.00 0.00 H new ATOM 284 N LEU A 18 -11.691 1.362 -6.293 1.00 0.00 N ATOM 285 CA LEU A 18 -10.844 2.506 -6.583 1.00 0.00 C ATOM 286 C LEU A 18 -9.566 2.395 -5.763 1.00 0.00 C ATOM 287 O LEU A 18 -9.617 2.353 -4.533 1.00 0.00 O ATOM 288 CB LEU A 18 -11.583 3.816 -6.266 1.00 0.00 C ATOM 289 CG LEU A 18 -10.996 5.090 -6.892 1.00 0.00 C ATOM 290 CD1 LEU A 18 -12.020 6.209 -6.853 1.00 0.00 C ATOM 291 CD2 LEU A 18 -9.727 5.531 -6.171 1.00 0.00 C ATOM 0 H LEU A 18 -11.977 1.284 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.592 2.515 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.617 3.716 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.606 3.944 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.739 4.865 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.594 7.108 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.906 5.911 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.296 6.413 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.338 6.435 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.955 5.734 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.980 4.740 -6.233 1.00 0.00 H new ATOM 303 N THR A 19 -8.435 2.343 -6.445 1.00 0.00 N ATOM 304 CA THR A 19 -7.146 2.192 -5.794 1.00 0.00 C ATOM 305 C THR A 19 -6.397 3.516 -5.781 1.00 0.00 C ATOM 306 O THR A 19 -5.948 3.994 -6.823 1.00 0.00 O ATOM 307 CB THR A 19 -6.270 1.146 -6.515 1.00 0.00 C ATOM 308 OG1 THR A 19 -6.988 -0.085 -6.676 1.00 0.00 O ATOM 309 CG2 THR A 19 -4.994 0.886 -5.731 1.00 0.00 C ATOM 0 H THR A 19 -8.384 2.404 -7.462 1.00 0.00 H new ATOM 0 HA THR A 19 -7.340 1.859 -4.774 1.00 0.00 H new ATOM 0 HB THR A 19 -6.012 1.542 -7.497 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.453 -0.708 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.389 0.146 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.430 1.814 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.246 0.512 -4.739 1.00 0.00 H new ATOM 317 N VAL A 20 -6.272 4.121 -4.615 1.00 0.00 N ATOM 318 CA VAL A 20 -5.477 5.328 -4.493 1.00 0.00 C ATOM 319 C VAL A 20 -4.149 5.005 -3.809 1.00 0.00 C ATOM 320 O VAL A 20 -4.120 4.435 -2.714 1.00 0.00 O ATOM 321 CB VAL A 20 -6.231 6.455 -3.745 1.00 0.00 C ATOM 322 CG1 VAL A 20 -6.596 6.039 -2.330 1.00 0.00 C ATOM 323 CG2 VAL A 20 -5.410 7.740 -3.741 1.00 0.00 C ATOM 0 H VAL A 20 -6.705 3.802 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.280 5.703 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.162 6.643 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.124 6.855 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.238 5.159 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.688 5.805 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.957 8.520 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.457 7.562 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.228 8.059 -4.767 1.00 0.00 H new ATOM 333 N ALA A 21 -3.052 5.332 -4.481 1.00 0.00 N ATOM 334 CA ALA A 21 -1.726 5.052 -3.955 1.00 0.00 C ATOM 335 C ALA A 21 -1.356 6.067 -2.886 1.00 0.00 C ATOM 336 O ALA A 21 -0.880 7.167 -3.184 1.00 0.00 O ATOM 337 CB ALA A 21 -0.698 5.046 -5.077 1.00 0.00 C ATOM 0 H ALA A 21 -3.057 5.792 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.734 4.063 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.289 4.835 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.959 4.278 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.686 6.021 -5.565 1.00 0.00 H new ATOM 343 N LEU A 22 -1.590 5.694 -1.642 1.00 0.00 N ATOM 344 CA LEU A 22 -1.398 6.592 -0.520 1.00 0.00 C ATOM 345 C LEU A 22 -1.083 5.790 0.740 1.00 0.00 C ATOM 346 O LEU A 22 -1.913 5.012 1.209 1.00 0.00 O ATOM 347 CB LEU A 22 -2.659 7.436 -0.323 1.00 0.00 C ATOM 348 CG LEU A 22 -2.561 8.550 0.720 1.00 0.00 C ATOM 349 CD1 LEU A 22 -1.469 9.544 0.349 1.00 0.00 C ATOM 350 CD2 LEU A 22 -3.904 9.250 0.850 1.00 0.00 C ATOM 0 H LEU A 22 -1.917 4.764 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.558 7.256 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.926 7.884 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.477 6.772 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.297 8.110 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.418 10.327 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.510 9.028 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.696 9.989 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.830 10.043 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.185 9.679 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.661 8.530 1.161 1.00 0.00 H new ATOM 362 N PRO A 23 0.138 5.953 1.281 1.00 0.00 N ATOM 363 CA PRO A 23 0.591 5.212 2.465 1.00 0.00 C ATOM 364 C PRO A 23 -0.231 5.513 3.719 1.00 0.00 C ATOM 365 O PRO A 23 -0.703 4.598 4.392 1.00 0.00 O ATOM 366 CB PRO A 23 2.041 5.679 2.652 1.00 0.00 C ATOM 367 CG PRO A 23 2.128 6.977 1.925 1.00 0.00 C ATOM 368 CD PRO A 23 1.184 6.855 0.766 1.00 0.00 C ATOM 0 HA PRO A 23 0.485 4.137 2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.283 5.802 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.745 4.952 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.848 7.808 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.145 7.167 1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.775 7.823 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.677 6.440 -0.113 1.00 0.00 H new ATOM 376 N ASP A 24 -0.406 6.792 4.031 1.00 0.00 N ATOM 377 CA ASP A 24 -1.088 7.177 5.260 1.00 0.00 C ATOM 378 C ASP A 24 -2.265 8.098 4.974 1.00 0.00 C ATOM 379 O ASP A 24 -2.090 9.298 4.720 1.00 0.00 O ATOM 380 CB ASP A 24 -0.119 7.856 6.230 1.00 0.00 C ATOM 381 CG ASP A 24 -0.780 8.192 7.552 1.00 0.00 C ATOM 382 OD1 ASP A 24 -0.758 7.344 8.468 1.00 0.00 O ATOM 383 OD2 ASP A 24 -1.323 9.306 7.686 1.00 0.00 O ATOM 0 H ASP A 24 -0.089 7.573 3.456 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.469 6.266 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.734 7.201 6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.268 8.768 5.776 1.00 0.00 H new ATOM 388 N ALA A 25 -3.462 7.531 5.007 1.00 0.00 N ATOM 389 CA ALA A 25 -4.674 8.292 4.768 1.00 0.00 C ATOM 390 C ALA A 25 -5.554 8.309 6.010 1.00 0.00 C ATOM 391 O ALA A 25 -5.750 7.281 6.660 1.00 0.00 O ATOM 392 CB ALA A 25 -5.432 7.714 3.587 1.00 0.00 C ATOM 0 H ALA A 25 -3.617 6.541 5.198 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.396 9.320 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.339 8.294 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.804 7.755 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.697 6.678 3.797 1.00 0.00 H new ATOM 398 N LYS A 26 -6.099 9.473 6.315 1.00 0.00 N ATOM 399 CA LYS A 26 -6.922 9.659 7.500 1.00 0.00 C ATOM 400 C LYS A 26 -8.110 10.537 7.146 1.00 0.00 C ATOM 401 O LYS A 26 -8.074 11.239 6.134 1.00 0.00 O ATOM 402 CB LYS A 26 -6.115 10.294 8.638 1.00 0.00 C ATOM 403 CG LYS A 26 -4.983 9.414 9.152 1.00 0.00 C ATOM 404 CD LYS A 26 -4.361 9.987 10.413 1.00 0.00 C ATOM 405 CE LYS A 26 -3.332 9.040 11.015 1.00 0.00 C ATOM 406 NZ LYS A 26 -2.057 9.025 10.252 1.00 0.00 N ATOM 0 H LYS A 26 -5.985 10.315 5.751 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.271 8.685 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.699 11.240 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.788 10.524 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.363 8.413 9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.219 9.315 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.887 10.941 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.143 10.188 11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.132 9.334 12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.745 8.032 11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.689 8.053 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.226 9.373 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.362 9.638 10.724 1.00 0.00 H new ATOM 420 N ASP A 27 -9.159 10.488 7.971 1.00 0.00 N ATOM 421 CA ASP A 27 -10.393 11.243 7.717 1.00 0.00 C ATOM 422 C ASP A 27 -10.910 10.978 6.310 1.00 0.00 C ATOM 423 O ASP A 27 -11.512 11.847 5.679 1.00 0.00 O ATOM 424 CB ASP A 27 -10.166 12.748 7.918 1.00 0.00 C ATOM 425 CG ASP A 27 -10.014 13.125 9.376 1.00 0.00 C ATOM 426 OD1 ASP A 27 -11.041 13.184 10.087 1.00 0.00 O ATOM 427 OD2 ASP A 27 -8.874 13.360 9.825 1.00 0.00 O ATOM 0 H ASP A 27 -9.180 9.931 8.825 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.142 10.906 8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.273 13.053 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.004 13.298 7.490 1.00 0.00 H new ATOM 432 N ILE A 28 -10.679 9.761 5.836 1.00 0.00 N ATOM 433 CA ILE A 28 -11.034 9.371 4.482 1.00 0.00 C ATOM 434 C ILE A 28 -12.544 9.424 4.277 1.00 0.00 C ATOM 435 O ILE A 28 -13.282 8.584 4.795 1.00 0.00 O ATOM 436 CB ILE A 28 -10.532 7.944 4.174 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.024 7.834 4.419 1.00 0.00 C ATOM 438 CG2 ILE A 28 -10.861 7.563 2.739 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.548 6.401 4.545 1.00 0.00 C ATOM 0 H ILE A 28 -10.240 9.018 6.380 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.556 10.077 3.803 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.041 7.252 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.492 8.317 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.769 8.377 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.500 6.554 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.940 7.598 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.379 8.263 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.472 6.389 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.055 5.921 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.774 5.860 3.626 1.00 0.00 H new ATOM 451 N SER A 29 -12.991 10.418 3.526 1.00 0.00 N ATOM 452 CA SER A 29 -14.397 10.569 3.221 1.00 0.00 C ATOM 453 C SER A 29 -14.586 10.719 1.717 1.00 0.00 C ATOM 454 O SER A 29 -14.150 11.701 1.118 1.00 0.00 O ATOM 455 CB SER A 29 -14.968 11.786 3.953 1.00 0.00 C ATOM 456 OG SER A 29 -16.368 11.895 3.762 1.00 0.00 O ATOM 0 H SER A 29 -12.392 11.135 3.116 1.00 0.00 H new ATOM 0 HA SER A 29 -14.932 9.680 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.750 11.707 5.018 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.479 12.691 3.593 1.00 0.00 H new ATOM 0 HG SER A 29 -16.704 12.680 4.243 1.00 0.00 H new ATOM 462 N VAL A 30 -15.226 9.741 1.107 1.00 0.00 N ATOM 463 CA VAL A 30 -15.463 9.776 -0.321 1.00 0.00 C ATOM 464 C VAL A 30 -16.940 10.027 -0.610 1.00 0.00 C ATOM 465 O VAL A 30 -17.808 9.233 -0.244 1.00 0.00 O ATOM 466 CB VAL A 30 -14.979 8.476 -1.010 1.00 0.00 C ATOM 467 CG1 VAL A 30 -15.568 7.242 -0.343 1.00 0.00 C ATOM 468 CG2 VAL A 30 -15.305 8.490 -2.496 1.00 0.00 C ATOM 0 H VAL A 30 -15.591 8.913 1.578 1.00 0.00 H new ATOM 0 HA VAL A 30 -14.883 10.600 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.896 8.432 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -15.208 6.347 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -15.263 7.213 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -16.656 7.280 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.954 7.565 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -16.383 8.575 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.812 9.339 -2.969 1.00 0.00 H new ATOM 478 N LYS A 31 -17.218 11.151 -1.247 1.00 0.00 N ATOM 479 CA LYS A 31 -18.581 11.513 -1.594 1.00 0.00 C ATOM 480 C LYS A 31 -18.839 11.154 -3.043 1.00 0.00 C ATOM 481 O LYS A 31 -18.172 11.686 -3.936 1.00 0.00 O ATOM 482 CB LYS A 31 -18.818 13.012 -1.392 1.00 0.00 C ATOM 483 CG LYS A 31 -18.523 13.509 0.011 1.00 0.00 C ATOM 484 CD LYS A 31 -19.503 12.950 1.027 1.00 0.00 C ATOM 485 CE LYS A 31 -19.379 13.664 2.365 1.00 0.00 C ATOM 486 NZ LYS A 31 -19.590 15.130 2.226 1.00 0.00 N ATOM 0 H LYS A 31 -16.515 11.831 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.263 10.965 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.198 13.564 -2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.856 13.239 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.508 13.225 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.565 14.598 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.520 13.054 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.321 11.884 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.108 13.256 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.392 13.477 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.868 15.529 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.708 15.579 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.342 15.308 1.530 1.00 0.00 H new ATOM 500 N CYS A 32 -19.764 10.227 -3.268 1.00 0.00 N ATOM 501 CA CYS A 32 -20.153 9.820 -4.618 1.00 0.00 C ATOM 502 C CYS A 32 -21.674 9.897 -4.807 1.00 0.00 C ATOM 503 O CYS A 32 -22.425 9.452 -3.941 1.00 0.00 O ATOM 504 CB CYS A 32 -19.666 8.397 -4.893 1.00 0.00 C ATOM 505 SG CYS A 32 -17.868 8.230 -4.890 1.00 0.00 S ATOM 0 H CYS A 32 -20.264 9.738 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.689 10.507 -5.325 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -20.085 7.728 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -20.050 8.072 -5.860 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.547 6.993 -5.129 1.00 0.00 H new ATOM 511 N GLU A 33 -22.140 10.476 -5.920 1.00 0.00 N ATOM 512 CA GLU A 33 -23.541 10.367 -6.286 1.00 0.00 C ATOM 513 C GLU A 33 -23.663 9.381 -7.434 1.00 0.00 C ATOM 514 O GLU A 33 -22.660 9.068 -8.071 1.00 0.00 O ATOM 515 CB GLU A 33 -24.118 11.725 -6.689 1.00 0.00 C ATOM 516 CG GLU A 33 -24.402 12.634 -5.510 1.00 0.00 C ATOM 517 CD GLU A 33 -25.278 13.811 -5.875 1.00 0.00 C ATOM 518 OE1 GLU A 33 -24.776 14.768 -6.493 1.00 0.00 O ATOM 519 OE2 GLU A 33 -26.483 13.781 -5.540 1.00 0.00 O ATOM 0 H GLU A 33 -21.569 11.016 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.110 10.015 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.419 12.223 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.041 11.568 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.886 12.058 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.459 13.001 -5.104 1.00 0.00 H new ATOM 526 N PRO A 34 -24.877 8.880 -7.735 1.00 0.00 N ATOM 527 CA PRO A 34 -25.091 7.934 -8.843 1.00 0.00 C ATOM 528 C PRO A 34 -24.724 8.532 -10.199 1.00 0.00 C ATOM 529 O PRO A 34 -24.737 7.847 -11.217 1.00 0.00 O ATOM 530 CB PRO A 34 -26.591 7.633 -8.782 1.00 0.00 C ATOM 531 CG PRO A 34 -27.185 8.762 -8.012 1.00 0.00 C ATOM 532 CD PRO A 34 -26.135 9.177 -7.024 1.00 0.00 C ATOM 0 HA PRO A 34 -24.463 7.049 -8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.021 7.569 -9.782 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -26.781 6.678 -8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -27.451 9.588 -8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -28.099 8.452 -7.505 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.215 10.234 -6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.214 8.618 -6.092 1.00 0.00 H new ATOM 540 N GLN A 35 -24.383 9.811 -10.178 1.00 0.00 N ATOM 541 CA GLN A 35 -24.028 10.550 -11.376 1.00 0.00 C ATOM 542 C GLN A 35 -22.653 11.206 -11.218 1.00 0.00 C ATOM 543 O GLN A 35 -22.135 11.816 -12.153 1.00 0.00 O ATOM 544 CB GLN A 35 -25.089 11.618 -11.650 1.00 0.00 C ATOM 545 CG GLN A 35 -25.237 12.613 -10.511 1.00 0.00 C ATOM 546 CD GLN A 35 -26.368 13.598 -10.720 1.00 0.00 C ATOM 547 OE1 GLN A 35 -27.389 13.279 -11.332 1.00 0.00 O ATOM 548 NE2 GLN A 35 -26.190 14.804 -10.208 1.00 0.00 N ATOM 0 H GLN A 35 -24.345 10.367 -9.324 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.983 9.858 -12.217 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.829 12.155 -12.563 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -26.048 11.132 -11.828 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.405 12.069 -9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.303 13.162 -10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -25.328 15.024 -9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -26.915 15.514 -10.312 1.00 0.00 H new ATOM 557 N GLY A 36 -22.058 11.080 -10.034 1.00 0.00 N ATOM 558 CA GLY A 36 -20.765 11.687 -9.795 1.00 0.00 C ATOM 559 C GLY A 36 -20.727 12.467 -8.501 1.00 0.00 C ATOM 560 O GLY A 36 -21.728 13.042 -8.096 1.00 0.00 O ATOM 0 H GLY A 36 -22.448 10.570 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -20.001 10.910 -9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.519 12.351 -10.624 1.00 0.00 H new ATOM 564 N LEU A 37 -19.627 12.360 -7.784 1.00 0.00 N ATOM 565 CA LEU A 37 -19.337 13.235 -6.659 1.00 0.00 C ATOM 566 C LEU A 37 -17.831 13.265 -6.400 1.00 0.00 C ATOM 567 O LEU A 37 -17.058 12.634 -7.124 1.00 0.00 O ATOM 568 CB LEU A 37 -20.139 12.897 -5.408 1.00 0.00 C ATOM 569 CG LEU A 37 -21.192 13.933 -4.993 1.00 0.00 C ATOM 570 CD1 LEU A 37 -21.739 13.610 -3.610 1.00 0.00 C ATOM 571 CD2 LEU A 37 -20.612 15.337 -5.012 1.00 0.00 C ATOM 0 H LEU A 37 -18.905 11.663 -7.963 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.662 14.240 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.639 11.941 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.444 12.760 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.008 13.891 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.485 14.354 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.199 12.622 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.925 13.622 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.379 16.052 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.774 15.394 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.266 15.574 -6.018 1.00 0.00 H new ATOM 583 N PHE A 38 -17.414 14.011 -5.389 1.00 0.00 N ATOM 584 CA PHE A 38 -15.999 14.286 -5.165 1.00 0.00 C ATOM 585 C PHE A 38 -15.525 13.649 -3.861 1.00 0.00 C ATOM 586 O PHE A 38 -16.261 13.592 -2.880 1.00 0.00 O ATOM 587 CB PHE A 38 -15.738 15.801 -5.141 1.00 0.00 C ATOM 588 CG PHE A 38 -16.318 16.513 -3.949 1.00 0.00 C ATOM 589 CD1 PHE A 38 -17.662 16.839 -3.899 1.00 0.00 C ATOM 590 CD2 PHE A 38 -15.509 16.857 -2.874 1.00 0.00 C ATOM 591 CE1 PHE A 38 -18.190 17.493 -2.803 1.00 0.00 C ATOM 592 CE2 PHE A 38 -16.031 17.510 -1.778 1.00 0.00 C ATOM 593 CZ PHE A 38 -17.374 17.828 -1.741 1.00 0.00 C ATOM 0 H PHE A 38 -18.038 14.440 -4.706 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.435 13.849 -5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.662 15.972 -5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.150 16.243 -6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.305 16.579 -4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.458 16.610 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.241 17.742 -2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.390 17.773 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.786 18.338 -0.883 1.00 0.00 H new ATOM 603 N SER A 39 -14.295 13.174 -3.851 1.00 0.00 N ATOM 604 CA SER A 39 -13.732 12.549 -2.667 1.00 0.00 C ATOM 605 C SER A 39 -12.821 13.532 -1.938 1.00 0.00 C ATOM 606 O SER A 39 -12.148 14.348 -2.575 1.00 0.00 O ATOM 607 CB SER A 39 -12.960 11.287 -3.053 1.00 0.00 C ATOM 608 OG SER A 39 -12.488 10.598 -1.907 1.00 0.00 O ATOM 0 H SER A 39 -13.664 13.208 -4.651 1.00 0.00 H new ATOM 0 HA SER A 39 -14.544 12.266 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.604 10.628 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.118 11.555 -3.691 1.00 0.00 H new ATOM 0 HG SER A 39 -12.000 9.795 -2.186 1.00 0.00 H new ATOM 614 N PHE A 40 -12.810 13.459 -0.613 1.00 0.00 N ATOM 615 CA PHE A 40 -12.001 14.354 0.199 1.00 0.00 C ATOM 616 C PHE A 40 -11.411 13.609 1.394 1.00 0.00 C ATOM 617 O PHE A 40 -12.126 13.202 2.312 1.00 0.00 O ATOM 618 CB PHE A 40 -12.847 15.543 0.667 1.00 0.00 C ATOM 619 CG PHE A 40 -12.127 16.488 1.587 1.00 0.00 C ATOM 620 CD1 PHE A 40 -10.853 16.936 1.284 1.00 0.00 C ATOM 621 CD2 PHE A 40 -12.730 16.933 2.752 1.00 0.00 C ATOM 622 CE1 PHE A 40 -10.192 17.810 2.125 1.00 0.00 C ATOM 623 CE2 PHE A 40 -12.075 17.806 3.599 1.00 0.00 C ATOM 624 CZ PHE A 40 -10.803 18.244 3.283 1.00 0.00 C ATOM 0 H PHE A 40 -13.356 12.785 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.176 14.728 -0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.191 16.096 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.735 15.165 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.370 16.598 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.724 16.593 3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.199 18.153 1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.555 18.145 4.505 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.287 18.926 3.943 1.00 0.00 H new ATOM 634 N SER A 41 -10.100 13.444 1.382 1.00 0.00 N ATOM 635 CA SER A 41 -9.413 12.731 2.443 1.00 0.00 C ATOM 636 C SER A 41 -8.240 13.553 2.957 1.00 0.00 C ATOM 637 O SER A 41 -7.792 14.488 2.294 1.00 0.00 O ATOM 638 CB SER A 41 -8.936 11.363 1.938 1.00 0.00 C ATOM 639 OG SER A 41 -8.298 10.620 2.965 1.00 0.00 O ATOM 0 H SER A 41 -9.488 13.796 0.646 1.00 0.00 H new ATOM 0 HA SER A 41 -10.107 12.571 3.268 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.787 10.799 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.245 11.502 1.106 1.00 0.00 H new ATOM 0 HG SER A 41 -7.621 10.032 2.571 1.00 0.00 H new ATOM 645 N ALA A 42 -7.754 13.218 4.141 1.00 0.00 N ATOM 646 CA ALA A 42 -6.609 13.900 4.707 1.00 0.00 C ATOM 647 C ALA A 42 -5.371 13.018 4.634 1.00 0.00 C ATOM 648 O ALA A 42 -5.453 11.798 4.784 1.00 0.00 O ATOM 649 CB ALA A 42 -6.890 14.304 6.146 1.00 0.00 C ATOM 0 H ALA A 42 -8.137 12.476 4.727 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.423 14.802 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.020 14.815 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.751 14.972 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.101 13.414 6.739 1.00 0.00 H new ATOM 655 N LEU A 43 -4.234 13.636 4.374 1.00 0.00 N ATOM 656 CA LEU A 43 -2.963 12.938 4.357 1.00 0.00 C ATOM 657 C LEU A 43 -2.300 13.124 5.709 1.00 0.00 C ATOM 658 O LEU A 43 -1.844 14.223 6.034 1.00 0.00 O ATOM 659 CB LEU A 43 -2.050 13.495 3.263 1.00 0.00 C ATOM 660 CG LEU A 43 -2.728 13.813 1.926 1.00 0.00 C ATOM 661 CD1 LEU A 43 -1.723 14.410 0.956 1.00 0.00 C ATOM 662 CD2 LEU A 43 -3.357 12.568 1.332 1.00 0.00 C ATOM 0 H LEU A 43 -4.166 14.633 4.169 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.135 11.881 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.581 14.405 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.251 12.776 3.082 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.518 14.542 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.217 14.631 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.314 15.329 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.915 13.698 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.832 12.818 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.586 11.815 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.105 12.175 2.020 1.00 0.00 H new ATOM 674 N GLY A 44 -2.250 12.063 6.493 1.00 0.00 N ATOM 675 CA GLY A 44 -1.815 12.187 7.873 1.00 0.00 C ATOM 676 C GLY A 44 -0.339 12.480 8.002 1.00 0.00 C ATOM 677 O GLY A 44 0.054 13.413 8.701 1.00 0.00 O ATOM 0 H GLY A 44 -2.501 11.118 6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.381 12.983 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.044 11.264 8.405 1.00 0.00 H new ATOM 681 N ALA A 45 0.475 11.694 7.312 1.00 0.00 N ATOM 682 CA ALA A 45 1.928 11.829 7.373 1.00 0.00 C ATOM 683 C ALA A 45 2.396 13.189 6.860 1.00 0.00 C ATOM 684 O ALA A 45 3.449 13.685 7.265 1.00 0.00 O ATOM 685 CB ALA A 45 2.586 10.710 6.580 1.00 0.00 C ATOM 0 H ALA A 45 0.152 10.948 6.696 1.00 0.00 H new ATOM 0 HA ALA A 45 2.226 11.756 8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.670 10.817 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.297 9.747 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.264 10.763 5.540 1.00 0.00 H new ATOM 691 N GLN A 46 1.614 13.792 5.975 1.00 0.00 N ATOM 692 CA GLN A 46 1.984 15.071 5.382 1.00 0.00 C ATOM 693 C GLN A 46 1.294 16.239 6.079 1.00 0.00 C ATOM 694 O GLN A 46 1.814 17.356 6.087 1.00 0.00 O ATOM 695 CB GLN A 46 1.650 15.090 3.890 1.00 0.00 C ATOM 696 CG GLN A 46 2.520 14.166 3.053 1.00 0.00 C ATOM 697 CD GLN A 46 3.984 14.558 3.084 1.00 0.00 C ATOM 698 OE1 GLN A 46 4.749 14.088 3.930 1.00 0.00 O ATOM 699 NE2 GLN A 46 4.380 15.423 2.167 1.00 0.00 N ATOM 0 H GLN A 46 0.722 13.418 5.652 1.00 0.00 H new ATOM 0 HA GLN A 46 3.060 15.187 5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.605 14.808 3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.755 16.109 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.413 13.144 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.167 14.176 2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.713 15.786 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.353 15.728 2.140 1.00 0.00 H new ATOM 708 N GLY A 47 0.131 15.984 6.666 1.00 0.00 N ATOM 709 CA GLY A 47 -0.652 17.057 7.253 1.00 0.00 C ATOM 710 C GLY A 47 -1.317 17.898 6.182 1.00 0.00 C ATOM 711 O GLY A 47 -1.601 19.080 6.381 1.00 0.00 O ATOM 0 H GLY A 47 -0.284 15.056 6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.411 16.638 7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.008 17.687 7.867 1.00 0.00 H new ATOM 715 N GLU A 48 -1.550 17.273 5.040 1.00 0.00 N ATOM 716 CA GLU A 48 -2.095 17.955 3.873 1.00 0.00 C ATOM 717 C GLU A 48 -3.438 17.334 3.504 1.00 0.00 C ATOM 718 O GLU A 48 -3.734 16.227 3.929 1.00 0.00 O ATOM 719 CB GLU A 48 -1.096 17.846 2.717 1.00 0.00 C ATOM 720 CG GLU A 48 -1.458 18.652 1.487 1.00 0.00 C ATOM 721 CD GLU A 48 -0.341 18.654 0.467 1.00 0.00 C ATOM 722 OE1 GLU A 48 -0.128 17.620 -0.191 1.00 0.00 O ATOM 723 OE2 GLU A 48 0.354 19.685 0.339 1.00 0.00 O ATOM 0 H GLU A 48 -1.368 16.280 4.894 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.257 19.010 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.116 18.168 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.003 16.798 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.361 18.241 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.686 19.677 1.779 1.00 0.00 H new ATOM 730 N ARG A 49 -4.262 18.040 2.746 1.00 0.00 N ATOM 731 CA ARG A 49 -5.548 17.489 2.336 1.00 0.00 C ATOM 732 C ARG A 49 -5.513 17.021 0.886 1.00 0.00 C ATOM 733 O ARG A 49 -4.749 17.535 0.071 1.00 0.00 O ATOM 734 CB ARG A 49 -6.682 18.499 2.526 1.00 0.00 C ATOM 735 CG ARG A 49 -7.124 18.669 3.973 1.00 0.00 C ATOM 736 CD ARG A 49 -6.147 19.510 4.779 1.00 0.00 C ATOM 737 NE ARG A 49 -6.070 20.881 4.277 1.00 0.00 N ATOM 738 CZ ARG A 49 -6.806 21.889 4.749 1.00 0.00 C ATOM 739 NH1 ARG A 49 -7.673 21.687 5.738 1.00 0.00 N ATOM 740 NH2 ARG A 49 -6.686 23.102 4.227 1.00 0.00 N ATOM 0 H ARG A 49 -4.070 18.982 2.405 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.741 16.630 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.362 19.466 2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.539 18.184 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.108 19.136 3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.225 17.688 4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.454 19.522 5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.158 19.053 4.743 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.415 21.079 3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.779 20.756 6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.232 22.463 6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.030 23.266 3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.250 23.871 4.589 1.00 0.00 H new ATOM 754 N PHE A 50 -6.352 16.045 0.579 1.00 0.00 N ATOM 755 CA PHE A 50 -6.418 15.461 -0.751 1.00 0.00 C ATOM 756 C PHE A 50 -7.864 15.428 -1.240 1.00 0.00 C ATOM 757 O PHE A 50 -8.773 15.097 -0.478 1.00 0.00 O ATOM 758 CB PHE A 50 -5.806 14.051 -0.696 1.00 0.00 C ATOM 759 CG PHE A 50 -6.442 13.026 -1.598 1.00 0.00 C ATOM 760 CD1 PHE A 50 -6.139 12.976 -2.946 1.00 0.00 C ATOM 761 CD2 PHE A 50 -7.326 12.091 -1.081 1.00 0.00 C ATOM 762 CE1 PHE A 50 -6.708 12.017 -3.764 1.00 0.00 C ATOM 763 CE2 PHE A 50 -7.900 11.133 -1.892 1.00 0.00 C ATOM 764 CZ PHE A 50 -7.588 11.095 -3.236 1.00 0.00 C ATOM 0 H PHE A 50 -7.007 15.635 1.245 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.851 16.065 -1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.748 14.124 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.864 13.690 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.450 13.694 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.569 12.113 -0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.464 11.990 -4.816 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.591 10.415 -1.476 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.032 10.345 -3.873 1.00 0.00 H new ATOM 774 N GLU A 51 -8.073 15.765 -2.509 1.00 0.00 N ATOM 775 CA GLU A 51 -9.418 15.789 -3.076 1.00 0.00 C ATOM 776 C GLU A 51 -9.394 15.575 -4.588 1.00 0.00 C ATOM 777 O GLU A 51 -8.394 15.863 -5.253 1.00 0.00 O ATOM 778 CB GLU A 51 -10.113 17.119 -2.764 1.00 0.00 C ATOM 779 CG GLU A 51 -9.434 18.325 -3.392 1.00 0.00 C ATOM 780 CD GLU A 51 -10.193 19.612 -3.154 1.00 0.00 C ATOM 781 OE1 GLU A 51 -9.945 20.271 -2.123 1.00 0.00 O ATOM 782 OE2 GLU A 51 -11.032 19.976 -4.005 1.00 0.00 O ATOM 0 H GLU A 51 -7.333 16.024 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.974 14.971 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.144 17.071 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.149 17.255 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.427 18.422 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.332 18.161 -4.465 1.00 0.00 H new ATOM 789 N PHE A 52 -10.501 15.064 -5.114 1.00 0.00 N ATOM 790 CA PHE A 52 -10.688 14.908 -6.554 1.00 0.00 C ATOM 791 C PHE A 52 -12.144 14.571 -6.849 1.00 0.00 C ATOM 792 O PHE A 52 -12.817 13.936 -6.034 1.00 0.00 O ATOM 793 CB PHE A 52 -9.754 13.828 -7.131 1.00 0.00 C ATOM 794 CG PHE A 52 -10.127 12.415 -6.773 1.00 0.00 C ATOM 795 CD1 PHE A 52 -9.926 11.927 -5.493 1.00 0.00 C ATOM 796 CD2 PHE A 52 -10.673 11.573 -7.726 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.264 10.627 -5.172 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.013 10.274 -7.409 1.00 0.00 C ATOM 799 CZ PHE A 52 -10.810 9.801 -6.130 1.00 0.00 C ATOM 0 H PHE A 52 -11.294 14.746 -4.556 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.432 15.851 -7.037 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.741 13.921 -8.217 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.739 14.021 -6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.500 12.570 -4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.835 11.937 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.100 10.258 -4.170 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.438 9.628 -8.163 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.078 8.785 -5.880 1.00 0.00 H new ATOM 809 N SER A 53 -12.635 15.007 -7.999 1.00 0.00 N ATOM 810 CA SER A 53 -14.027 14.785 -8.360 1.00 0.00 C ATOM 811 C SER A 53 -14.146 13.728 -9.456 1.00 0.00 C ATOM 812 O SER A 53 -13.378 13.734 -10.418 1.00 0.00 O ATOM 813 CB SER A 53 -14.656 16.097 -8.831 1.00 0.00 C ATOM 814 OG SER A 53 -14.410 17.145 -7.907 1.00 0.00 O ATOM 0 H SER A 53 -12.092 15.515 -8.697 1.00 0.00 H new ATOM 0 HA SER A 53 -14.557 14.424 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.252 16.367 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.731 15.964 -8.956 1.00 0.00 H new ATOM 0 HG SER A 53 -14.822 17.972 -8.234 1.00 0.00 H new ATOM 820 N LEU A 54 -15.101 12.820 -9.305 1.00 0.00 N ATOM 821 CA LEU A 54 -15.372 11.820 -10.333 1.00 0.00 C ATOM 822 C LEU A 54 -16.824 11.882 -10.777 1.00 0.00 C ATOM 823 O LEU A 54 -17.735 11.636 -9.987 1.00 0.00 O ATOM 824 CB LEU A 54 -15.048 10.408 -9.838 1.00 0.00 C ATOM 825 CG LEU A 54 -13.560 10.076 -9.720 1.00 0.00 C ATOM 826 CD1 LEU A 54 -13.376 8.631 -9.284 1.00 0.00 C ATOM 827 CD2 LEU A 54 -12.850 10.325 -11.044 1.00 0.00 C ATOM 0 H LEU A 54 -15.701 12.754 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.727 12.047 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.512 10.269 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.510 9.690 -10.515 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.119 10.727 -8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.312 8.408 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.852 8.480 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.831 7.968 -10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.792 10.083 -10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.292 9.697 -11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.957 11.373 -11.323 1.00 0.00 H new ATOM 839 N GLU A 55 -17.030 12.226 -12.036 1.00 0.00 N ATOM 840 CA GLU A 55 -18.364 12.236 -12.611 1.00 0.00 C ATOM 841 C GLU A 55 -18.656 10.894 -13.264 1.00 0.00 C ATOM 842 O GLU A 55 -17.851 10.391 -14.051 1.00 0.00 O ATOM 843 CB GLU A 55 -18.494 13.355 -13.638 1.00 0.00 C ATOM 844 CG GLU A 55 -18.233 14.736 -13.070 1.00 0.00 C ATOM 845 CD GLU A 55 -18.477 15.827 -14.088 1.00 0.00 C ATOM 846 OE1 GLU A 55 -19.648 16.229 -14.258 1.00 0.00 O ATOM 847 OE2 GLU A 55 -17.509 16.262 -14.740 1.00 0.00 O ATOM 0 H GLU A 55 -16.290 12.503 -12.681 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.086 12.411 -11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.796 13.170 -14.455 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.497 13.331 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -18.875 14.899 -12.205 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.203 14.794 -12.718 1.00 0.00 H new ATOM 854 N LEU A 56 -19.805 10.321 -12.948 1.00 0.00 N ATOM 855 CA LEU A 56 -20.149 8.997 -13.435 1.00 0.00 C ATOM 856 C LEU A 56 -20.947 9.076 -14.728 1.00 0.00 C ATOM 857 O LEU A 56 -21.905 9.838 -14.842 1.00 0.00 O ATOM 858 CB LEU A 56 -20.927 8.201 -12.381 1.00 0.00 C ATOM 859 CG LEU A 56 -20.073 7.494 -11.320 1.00 0.00 C ATOM 860 CD1 LEU A 56 -19.052 6.579 -11.975 1.00 0.00 C ATOM 861 CD2 LEU A 56 -19.378 8.494 -10.408 1.00 0.00 C ATOM 0 H LEU A 56 -20.515 10.752 -12.356 1.00 0.00 H new ATOM 0 HA LEU A 56 -19.214 8.475 -13.639 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.615 8.878 -11.875 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -21.533 7.453 -12.891 1.00 0.00 H new ATOM 0 HG LEU A 56 -20.743 6.890 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.457 6.088 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.568 5.826 -12.571 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.398 7.166 -12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.782 7.959 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -18.728 9.137 -11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -20.125 9.103 -9.900 1.00 0.00 H new ATOM 873 N TYR A 57 -20.522 8.282 -15.697 1.00 0.00 N ATOM 874 CA TYR A 57 -21.162 8.210 -17.006 1.00 0.00 C ATOM 875 C TYR A 57 -22.429 7.356 -16.919 1.00 0.00 C ATOM 876 O TYR A 57 -23.274 7.375 -17.815 1.00 0.00 O ATOM 877 CB TYR A 57 -20.161 7.604 -17.997 1.00 0.00 C ATOM 878 CG TYR A 57 -20.532 7.684 -19.464 1.00 0.00 C ATOM 879 CD1 TYR A 57 -20.242 8.816 -20.212 1.00 0.00 C ATOM 880 CD2 TYR A 57 -21.124 6.604 -20.112 1.00 0.00 C ATOM 881 CE1 TYR A 57 -20.529 8.876 -21.560 1.00 0.00 C ATOM 882 CE2 TYR A 57 -21.425 6.658 -21.460 1.00 0.00 C ATOM 883 CZ TYR A 57 -21.121 7.796 -22.180 1.00 0.00 C ATOM 884 OH TYR A 57 -21.401 7.854 -23.525 1.00 0.00 O ATOM 0 H TYR A 57 -19.717 7.663 -15.599 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.452 9.205 -17.345 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.201 8.102 -17.860 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.016 6.555 -17.738 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.783 9.666 -19.730 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.352 5.709 -19.552 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.291 9.764 -22.127 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.895 5.816 -21.947 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.816 7.013 -23.809 1.00 0.00 H new ATOM 894 N GLY A 58 -22.553 6.614 -15.823 1.00 0.00 N ATOM 895 CA GLY A 58 -23.691 5.737 -15.648 1.00 0.00 C ATOM 896 C GLY A 58 -24.164 5.691 -14.210 1.00 0.00 C ATOM 897 O GLY A 58 -23.405 6.004 -13.296 1.00 0.00 O ATOM 0 H GLY A 58 -21.884 6.606 -15.053 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -24.508 6.073 -16.286 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -23.425 4.731 -15.973 1.00 0.00 H new ATOM 901 N LYS A 59 -25.411 5.279 -14.020 1.00 0.00 N ATOM 902 CA LYS A 59 -26.030 5.248 -12.696 1.00 0.00 C ATOM 903 C LYS A 59 -25.409 4.170 -11.806 1.00 0.00 C ATOM 904 O LYS A 59 -25.578 2.965 -12.036 1.00 0.00 O ATOM 905 CB LYS A 59 -27.541 5.030 -12.842 1.00 0.00 C ATOM 906 CG LYS A 59 -28.244 6.206 -13.505 1.00 0.00 C ATOM 907 CD LYS A 59 -29.675 5.889 -13.927 1.00 0.00 C ATOM 908 CE LYS A 59 -30.605 5.631 -12.744 1.00 0.00 C ATOM 909 NZ LYS A 59 -30.486 4.245 -12.225 1.00 0.00 N ATOM 0 H LYS A 59 -26.021 4.958 -14.772 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.849 6.207 -12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -27.719 4.129 -13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.976 4.860 -11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.254 7.051 -12.816 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.674 6.515 -14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -30.066 6.719 -14.515 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.671 5.013 -14.576 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.377 6.337 -11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -31.635 5.816 -13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -31.430 3.884 -11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -30.062 3.637 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -29.883 4.242 -11.378 1.00 0.00 H new ATOM 923 N ILE A 60 -24.673 4.616 -10.794 1.00 0.00 N ATOM 924 CA ILE A 60 -24.041 3.708 -9.850 1.00 0.00 C ATOM 925 C ILE A 60 -24.880 3.547 -8.588 1.00 0.00 C ATOM 926 O ILE A 60 -25.817 4.312 -8.344 1.00 0.00 O ATOM 927 CB ILE A 60 -22.631 4.176 -9.463 1.00 0.00 C ATOM 928 CG1 ILE A 60 -22.666 5.580 -8.855 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.710 4.131 -10.674 1.00 0.00 C ATOM 930 CD1 ILE A 60 -21.307 6.069 -8.417 1.00 0.00 C ATOM 0 H ILE A 60 -24.500 5.604 -10.608 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.963 2.745 -10.354 1.00 0.00 H new ATOM 0 HB ILE A 60 -22.239 3.497 -8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -23.078 6.276 -9.586 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -23.340 5.582 -7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.713 4.465 -10.386 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.655 3.110 -11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.101 4.785 -11.453 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.399 7.070 -7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.903 5.393 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.637 6.098 -9.276 1.00 0.00 H new ATOM 942 N MET A 61 -24.531 2.553 -7.787 1.00 0.00 N ATOM 943 CA MET A 61 -25.282 2.234 -6.587 1.00 0.00 C ATOM 944 C MET A 61 -24.521 2.710 -5.355 1.00 0.00 C ATOM 945 O MET A 61 -23.679 1.995 -4.810 1.00 0.00 O ATOM 946 CB MET A 61 -25.525 0.723 -6.518 1.00 0.00 C ATOM 947 CG MET A 61 -26.773 0.320 -5.747 1.00 0.00 C ATOM 948 SD MET A 61 -26.729 0.789 -4.008 1.00 0.00 S ATOM 949 CE MET A 61 -28.282 0.093 -3.441 1.00 0.00 C ATOM 0 H MET A 61 -23.725 1.950 -7.950 1.00 0.00 H new ATOM 0 HA MET A 61 -26.245 2.744 -6.617 1.00 0.00 H new ATOM 0 HB2 MET A 61 -25.598 0.333 -7.533 1.00 0.00 H new ATOM 0 HB3 MET A 61 -24.659 0.249 -6.056 1.00 0.00 H new ATOM 0 HG2 MET A 61 -27.644 0.778 -6.216 1.00 0.00 H new ATOM 0 HG3 MET A 61 -26.902 -0.760 -5.820 1.00 0.00 H new ATOM 0 HE1 MET A 61 -28.783 0.806 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 61 -28.919 -0.122 -4.299 1.00 0.00 H new ATOM 0 HE3 MET A 61 -28.089 -0.829 -2.893 1.00 0.00 H new ATOM 959 N THR A 62 -24.801 3.935 -4.942 1.00 0.00 N ATOM 960 CA THR A 62 -24.123 4.537 -3.806 1.00 0.00 C ATOM 961 C THR A 62 -24.921 4.319 -2.516 1.00 0.00 C ATOM 962 O THR A 62 -25.417 5.263 -1.898 1.00 0.00 O ATOM 963 CB THR A 62 -23.859 6.045 -4.047 1.00 0.00 C ATOM 964 OG1 THR A 62 -23.308 6.652 -2.872 1.00 0.00 O ATOM 965 CG2 THR A 62 -25.127 6.781 -4.463 1.00 0.00 C ATOM 0 H THR A 62 -25.499 4.536 -5.380 1.00 0.00 H new ATOM 0 HA THR A 62 -23.157 4.044 -3.693 1.00 0.00 H new ATOM 0 HB THR A 62 -23.141 6.122 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 62 -23.831 6.382 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 62 -24.900 7.835 -4.622 1.00 0.00 H new ATOM 0 HG22 THR A 62 -25.512 6.349 -5.387 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.877 6.686 -3.678 1.00 0.00 H new ATOM 973 N GLU A 63 -25.065 3.059 -2.133 1.00 0.00 N ATOM 974 CA GLU A 63 -25.712 2.711 -0.875 1.00 0.00 C ATOM 975 C GLU A 63 -24.872 3.221 0.291 1.00 0.00 C ATOM 976 O GLU A 63 -25.281 4.117 1.029 1.00 0.00 O ATOM 977 CB GLU A 63 -25.880 1.193 -0.768 1.00 0.00 C ATOM 978 CG GLU A 63 -26.732 0.752 0.407 1.00 0.00 C ATOM 979 CD GLU A 63 -28.169 1.213 0.284 1.00 0.00 C ATOM 980 OE1 GLU A 63 -28.477 2.339 0.727 1.00 0.00 O ATOM 981 OE2 GLU A 63 -28.997 0.454 -0.259 1.00 0.00 O ATOM 0 H GLU A 63 -24.742 2.258 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 63 -26.697 3.176 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -26.328 0.821 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -24.895 0.733 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -26.707 -0.335 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -26.305 1.145 1.330 1.00 0.00 H new ATOM 988 N TYR A 64 -23.694 2.637 0.432 1.00 0.00 N ATOM 989 CA TYR A 64 -22.712 3.074 1.408 1.00 0.00 C ATOM 990 C TYR A 64 -21.322 2.893 0.825 1.00 0.00 C ATOM 991 O TYR A 64 -20.994 1.819 0.322 1.00 0.00 O ATOM 992 CB TYR A 64 -22.828 2.282 2.718 1.00 0.00 C ATOM 993 CG TYR A 64 -23.974 2.712 3.605 1.00 0.00 C ATOM 994 CD1 TYR A 64 -23.888 3.875 4.358 1.00 0.00 C ATOM 995 CD2 TYR A 64 -25.133 1.950 3.701 1.00 0.00 C ATOM 996 CE1 TYR A 64 -24.923 4.272 5.180 1.00 0.00 C ATOM 997 CE2 TYR A 64 -26.175 2.342 4.518 1.00 0.00 C ATOM 998 CZ TYR A 64 -26.064 3.504 5.256 1.00 0.00 C ATOM 999 OH TYR A 64 -27.097 3.897 6.078 1.00 0.00 O ATOM 0 H TYR A 64 -23.391 1.842 -0.131 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.896 4.124 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -22.945 1.225 2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -21.896 2.383 3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -22.995 4.480 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -25.220 1.038 3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -24.839 5.179 5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -27.072 1.743 4.579 1.00 0.00 H new ATOM 0 HH TYR A 64 -27.829 3.248 6.017 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.514 3.939 0.873 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.164 3.862 0.333 1.00 0.00 C ATOM 1011 C ARG A 65 -18.211 3.280 1.367 1.00 0.00 C ATOM 1012 O ARG A 65 -18.163 3.730 2.511 1.00 0.00 O ATOM 1013 CB ARG A 65 -18.678 5.232 -0.188 1.00 0.00 C ATOM 1014 CG ARG A 65 -19.126 6.450 0.624 1.00 0.00 C ATOM 1015 CD ARG A 65 -18.358 6.603 1.929 1.00 0.00 C ATOM 1016 NE ARG A 65 -18.706 7.844 2.619 1.00 0.00 N ATOM 1017 CZ ARG A 65 -18.213 8.211 3.802 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -17.362 7.427 4.449 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -18.584 9.364 4.341 1.00 0.00 N ATOM 0 H ARG A 65 -20.764 4.842 1.275 1.00 0.00 H new ATOM 0 HA ARG A 65 -19.181 3.191 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -17.589 5.221 -0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.027 5.354 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -18.995 7.350 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -20.191 6.364 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.571 5.754 2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.287 6.588 1.725 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.370 8.471 2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -17.080 6.535 4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.990 7.715 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.245 9.967 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.209 9.648 5.246 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.469 2.257 0.964 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.576 1.568 1.882 1.00 0.00 C ATOM 1035 C LYS A 66 -15.124 1.828 1.506 1.00 0.00 C ATOM 1036 O LYS A 66 -14.762 1.786 0.333 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.863 0.060 1.871 1.00 0.00 C ATOM 1038 CG LYS A 66 -16.057 -0.741 2.888 1.00 0.00 C ATOM 1039 CD LYS A 66 -16.460 -0.412 4.320 1.00 0.00 C ATOM 1040 CE LYS A 66 -17.942 -0.659 4.555 1.00 0.00 C ATOM 1041 NZ LYS A 66 -18.346 -0.371 5.958 1.00 0.00 N ATOM 0 H LYS A 66 -17.468 1.889 0.013 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.750 1.952 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.925 -0.097 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.657 -0.330 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.200 -1.806 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.995 -0.534 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.875 -1.018 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.226 0.631 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.524 -0.036 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.178 -1.696 4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.364 -0.554 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.811 -0.983 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.146 0.625 6.179 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.305 2.117 2.506 1.00 0.00 N ATOM 1056 CA ASN A 67 -12.885 2.371 2.285 1.00 0.00 C ATOM 1057 C ASN A 67 -12.026 1.488 3.190 1.00 0.00 C ATOM 1058 O ASN A 67 -12.083 1.584 4.415 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.556 3.864 2.489 1.00 0.00 C ATOM 1060 CG ASN A 67 -12.735 4.355 3.921 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -11.784 4.417 4.698 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -13.960 4.712 4.275 1.00 0.00 N ATOM 0 H ASN A 67 -14.598 2.182 3.481 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.652 2.116 1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.525 4.042 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.191 4.457 1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.139 5.052 5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.724 4.647 3.603 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.268 0.592 2.578 1.00 0.00 N ATOM 1070 CA VAL A 68 -10.354 -0.273 3.312 1.00 0.00 C ATOM 1071 C VAL A 68 -8.914 0.042 2.918 1.00 0.00 C ATOM 1072 O VAL A 68 -8.662 0.466 1.794 1.00 0.00 O ATOM 1073 CB VAL A 68 -10.650 -1.773 3.064 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -12.015 -2.151 3.628 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -10.569 -2.107 1.580 1.00 0.00 C ATOM 0 H VAL A 68 -11.267 0.443 1.569 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.498 -0.079 4.375 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.890 -2.358 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.205 -3.208 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.031 -1.961 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.787 -1.554 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.781 -3.166 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.300 -1.512 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.568 -1.883 1.211 1.00 0.00 H new ATOM 1085 N GLY A 69 -7.974 -0.140 3.835 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.589 0.163 3.516 1.00 0.00 C ATOM 1087 C GLY A 69 -5.627 -0.926 3.935 1.00 0.00 C ATOM 1088 O GLY A 69 -5.614 -1.352 5.093 1.00 0.00 O ATOM 0 H GLY A 69 -8.139 -0.486 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.498 0.325 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.306 1.096 4.004 1.00 0.00 H new ATOM 1092 N LEU A 70 -4.819 -1.377 2.988 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.793 -2.375 3.257 1.00 0.00 C ATOM 1094 C LEU A 70 -2.421 -1.775 2.964 1.00 0.00 C ATOM 1095 O LEU A 70 -1.692 -1.387 3.875 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.027 -3.623 2.395 1.00 0.00 C ATOM 1097 CG LEU A 70 -5.395 -4.291 2.568 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -5.554 -5.437 1.584 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -5.576 -4.785 3.998 1.00 0.00 C ATOM 0 H LEU A 70 -4.854 -1.065 2.018 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.840 -2.671 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.905 -3.349 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.252 -4.354 2.626 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.167 -3.550 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.531 -5.901 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.472 -5.056 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.773 -6.178 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.554 -5.256 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.798 -5.511 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.506 -3.942 4.686 1.00 0.00 H new ATOM 1111 N ARG A 71 -2.092 -1.681 1.681 1.00 0.00 N ATOM 1112 CA ARG A 71 -0.889 -0.983 1.236 1.00 0.00 C ATOM 1113 C ARG A 71 -1.307 0.321 0.560 1.00 0.00 C ATOM 1114 O ARG A 71 -0.483 1.119 0.109 1.00 0.00 O ATOM 1115 CB ARG A 71 -0.083 -1.874 0.269 1.00 0.00 C ATOM 1116 CG ARG A 71 1.185 -1.227 -0.271 1.00 0.00 C ATOM 1117 CD ARG A 71 2.197 -0.951 0.831 1.00 0.00 C ATOM 1118 NE ARG A 71 3.032 -2.116 1.125 1.00 0.00 N ATOM 1119 CZ ARG A 71 3.864 -2.189 2.162 1.00 0.00 C ATOM 1120 NH1 ARG A 71 3.847 -1.247 3.097 1.00 0.00 N ATOM 1121 NH2 ARG A 71 4.684 -3.225 2.283 1.00 0.00 N ATOM 0 H ARG A 71 -2.646 -2.082 0.924 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.248 -0.758 2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.185 -2.797 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.722 -2.150 -0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.634 -1.879 -1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.931 -0.293 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.833 -0.116 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.671 -0.647 1.736 1.00 0.00 H new ATOM 0 HE ARG A 71 2.973 -2.919 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.196 -0.466 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.485 -1.305 3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.677 -3.966 1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.321 -3.281 3.077 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.614 0.529 0.536 1.00 0.00 N ATOM 1136 CA ASN A 72 -3.230 1.648 -0.155 1.00 0.00 C ATOM 1137 C ASN A 72 -4.689 1.716 0.254 1.00 0.00 C ATOM 1138 O ASN A 72 -5.139 0.880 1.039 1.00 0.00 O ATOM 1139 CB ASN A 72 -3.109 1.495 -1.682 1.00 0.00 C ATOM 1140 CG ASN A 72 -3.522 0.121 -2.183 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -4.334 -0.571 -1.575 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -2.962 -0.284 -3.310 1.00 0.00 N ATOM 0 H ASN A 72 -3.284 -0.083 1.002 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.717 2.570 0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.727 2.251 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.078 1.688 -1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.201 -1.196 -3.699 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.291 0.316 -3.790 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.427 2.683 -0.265 1.00 0.00 N ATOM 1150 CA ILE A 73 -6.828 2.817 0.092 1.00 0.00 C ATOM 1151 C ILE A 73 -7.720 2.338 -1.046 1.00 0.00 C ATOM 1152 O ILE A 73 -7.707 2.899 -2.145 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.190 4.272 0.468 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -6.262 4.790 1.575 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -8.646 4.365 0.905 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -6.303 3.968 2.846 1.00 0.00 C ATOM 0 H ILE A 73 -5.084 3.379 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.998 2.192 0.969 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.055 4.898 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.239 4.808 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.533 5.819 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.882 5.397 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.292 4.040 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.807 3.725 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.621 4.398 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.316 3.970 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.002 2.944 2.627 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.469 1.282 -0.779 1.00 0.00 N ATOM 1169 CA ILE A 74 -9.375 0.704 -1.757 1.00 0.00 C ATOM 1170 C ILE A 74 -10.815 1.099 -1.440 1.00 0.00 C ATOM 1171 O ILE A 74 -11.326 0.814 -0.354 1.00 0.00 O ATOM 1172 CB ILE A 74 -9.273 -0.841 -1.775 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.831 -1.294 -2.044 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -10.217 -1.428 -2.814 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -7.297 -0.868 -3.392 1.00 0.00 C ATOM 0 H ILE A 74 -8.466 0.801 0.121 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.089 1.088 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.567 -1.209 -0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.183 -0.893 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.782 -2.381 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.131 -2.515 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.242 -1.145 -2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.955 -1.046 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.274 -1.225 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.920 -1.291 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.312 0.220 -3.462 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.454 1.768 -2.382 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.846 2.152 -2.225 1.00 0.00 C ATOM 1189 C PHE A 75 -13.757 1.123 -2.884 1.00 0.00 C ATOM 1190 O PHE A 75 -13.491 0.671 -3.997 1.00 0.00 O ATOM 1191 CB PHE A 75 -13.095 3.532 -2.833 1.00 0.00 C ATOM 1192 CG PHE A 75 -12.304 4.634 -2.186 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -12.629 5.082 -0.917 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -11.244 5.225 -2.852 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -11.906 6.098 -0.321 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -10.518 6.241 -2.264 1.00 0.00 C ATOM 1197 CZ PHE A 75 -10.849 6.679 -0.996 1.00 0.00 C ATOM 0 H PHE A 75 -11.032 2.057 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 75 -13.071 2.194 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -12.853 3.499 -3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -14.157 3.766 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -13.456 4.633 -0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.982 4.887 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.167 6.437 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.693 6.693 -2.794 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.283 7.474 -0.533 1.00 0.00 H new ATOM 1207 N SER A 76 -14.821 0.751 -2.187 1.00 0.00 N ATOM 1208 CA SER A 76 -15.778 -0.218 -2.693 1.00 0.00 C ATOM 1209 C SER A 76 -17.114 0.453 -2.998 1.00 0.00 C ATOM 1210 O SER A 76 -17.812 0.918 -2.087 1.00 0.00 O ATOM 1211 CB SER A 76 -15.966 -1.352 -1.678 1.00 0.00 C ATOM 1212 OG SER A 76 -17.001 -2.239 -2.074 1.00 0.00 O ATOM 0 H SER A 76 -15.043 1.111 -1.259 1.00 0.00 H new ATOM 0 HA SER A 76 -15.389 -0.638 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.033 -1.905 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.200 -0.931 -0.700 1.00 0.00 H new ATOM 0 HG SER A 76 -17.524 -2.503 -1.288 1.00 0.00 H new ATOM 1218 N ILE A 77 -17.437 0.523 -4.289 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.710 1.060 -4.765 1.00 0.00 C ATOM 1220 C ILE A 77 -19.249 0.154 -5.865 1.00 0.00 C ATOM 1221 O ILE A 77 -18.514 -0.200 -6.778 1.00 0.00 O ATOM 1222 CB ILE A 77 -18.573 2.485 -5.358 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -17.929 3.460 -4.366 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.929 3.016 -5.797 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -16.416 3.479 -4.417 1.00 0.00 C ATOM 0 H ILE A 77 -16.820 0.207 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 77 -19.379 1.107 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.918 2.408 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.302 4.465 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.245 3.197 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.811 4.018 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -20.349 2.357 -6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.600 3.054 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -16.036 4.193 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.032 2.485 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.089 3.772 -5.415 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.517 -0.216 -5.792 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.095 -1.114 -6.788 1.00 0.00 C ATOM 1239 C GLN A 78 -21.910 -0.317 -7.807 1.00 0.00 C ATOM 1240 O GLN A 78 -22.448 0.740 -7.481 1.00 0.00 O ATOM 1241 CB GLN A 78 -21.964 -2.178 -6.103 1.00 0.00 C ATOM 1242 CG GLN A 78 -22.352 -3.333 -7.014 1.00 0.00 C ATOM 1243 CD GLN A 78 -22.902 -4.513 -6.243 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -22.151 -5.388 -5.808 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -24.212 -4.562 -6.083 1.00 0.00 N ATOM 0 H GLN A 78 -21.163 0.086 -5.063 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.289 -1.622 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -21.427 -2.572 -5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.870 -1.705 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.098 -2.992 -7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -21.480 -3.650 -7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -24.800 -3.818 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -24.636 -5.344 -5.584 1.00 0.00 H new ATOM 1254 N LYS A 79 -21.986 -0.798 -9.046 1.00 0.00 N ATOM 1255 CA LYS A 79 -22.772 -0.099 -10.056 1.00 0.00 C ATOM 1256 C LYS A 79 -24.233 -0.527 -9.963 1.00 0.00 C ATOM 1257 O LYS A 79 -24.535 -1.679 -9.650 1.00 0.00 O ATOM 1258 CB LYS A 79 -22.192 -0.304 -11.475 1.00 0.00 C ATOM 1259 CG LYS A 79 -22.103 -1.752 -11.961 1.00 0.00 C ATOM 1260 CD LYS A 79 -23.421 -2.247 -12.542 1.00 0.00 C ATOM 1261 CE LYS A 79 -23.259 -3.567 -13.288 1.00 0.00 C ATOM 1262 NZ LYS A 79 -22.644 -4.624 -12.441 1.00 0.00 N ATOM 0 H LYS A 79 -21.524 -1.649 -9.368 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.719 0.972 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.804 0.258 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -21.192 0.130 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -21.322 -1.832 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -21.810 -2.395 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -24.147 -2.372 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -23.823 -1.495 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -24.234 -3.906 -13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -22.642 -3.408 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -23.056 -5.547 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.618 -4.648 -12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -22.828 -4.416 -11.439 1.00 0.00 H new ATOM 1276 N GLU A 80 -25.142 0.406 -10.212 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.565 0.143 -10.039 1.00 0.00 C ATOM 1278 C GLU A 80 -27.160 -0.471 -11.291 1.00 0.00 C ATOM 1279 O GLU A 80 -27.663 -1.598 -11.263 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.307 1.433 -9.696 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.815 1.263 -9.615 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.535 2.583 -9.460 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -29.126 3.566 -10.113 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -30.529 2.641 -8.710 1.00 0.00 O ATOM 0 H GLU A 80 -24.921 1.349 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 80 -26.677 -0.565 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -26.940 1.811 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -27.074 2.187 -10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -29.170 0.762 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -29.061 0.617 -8.772 1.00 0.00 H new ATOM 1427 N LEU A 88 -17.204 4.462 -17.633 1.00 0.00 N ATOM 1428 CA LEU A 88 -17.760 4.860 -16.337 1.00 0.00 C ATOM 1429 C LEU A 88 -17.489 6.331 -16.045 1.00 0.00 C ATOM 1430 O LEU A 88 -18.128 6.926 -15.178 1.00 0.00 O ATOM 1431 CB LEU A 88 -17.214 3.992 -15.193 1.00 0.00 C ATOM 1432 CG LEU A 88 -15.756 4.238 -14.795 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -15.495 3.691 -13.401 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -14.801 3.601 -15.795 1.00 0.00 C ATOM 0 HA LEU A 88 -18.838 4.708 -16.398 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.840 4.149 -14.315 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.320 2.945 -15.477 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.580 5.314 -14.795 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.455 3.871 -13.128 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.149 4.190 -12.686 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.693 2.619 -13.388 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.773 3.791 -15.488 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.976 2.526 -15.831 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.970 4.029 -16.783 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.561 6.921 -16.780 1.00 0.00 N ATOM 1447 CA LEU A 89 -16.175 8.306 -16.560 1.00 0.00 C ATOM 1448 C LEU A 89 -16.969 9.242 -17.462 1.00 0.00 C ATOM 1449 O LEU A 89 -16.835 9.200 -18.683 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.675 8.484 -16.804 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.767 7.673 -15.878 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -12.305 7.906 -16.222 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -14.034 8.031 -14.422 1.00 0.00 C ATOM 0 H LEU A 89 -16.058 6.460 -17.538 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.397 8.560 -15.524 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.455 8.209 -17.835 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.428 9.540 -16.696 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.989 6.616 -16.021 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.676 7.320 -15.552 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.121 7.601 -17.252 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.069 8.964 -16.109 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.379 7.445 -13.777 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.840 9.092 -14.267 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.074 7.813 -14.178 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.806 10.071 -16.852 1.00 0.00 N ATOM 1466 CA LYS A 90 -18.597 11.048 -17.593 1.00 0.00 C ATOM 1467 C LYS A 90 -17.686 12.105 -18.202 1.00 0.00 C ATOM 1468 O LYS A 90 -17.862 12.515 -19.348 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.649 11.676 -16.668 1.00 0.00 C ATOM 1470 CG LYS A 90 -20.430 12.840 -17.266 1.00 0.00 C ATOM 1471 CD LYS A 90 -19.775 14.173 -16.943 1.00 0.00 C ATOM 1472 CE LYS A 90 -20.649 15.347 -17.348 1.00 0.00 C ATOM 1473 NZ LYS A 90 -20.094 16.634 -16.854 1.00 0.00 N ATOM 0 H LYS A 90 -17.956 10.087 -15.843 1.00 0.00 H new ATOM 0 HA LYS A 90 -19.120 10.550 -18.409 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -20.355 10.901 -16.369 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -19.152 12.021 -15.761 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -20.496 12.718 -18.347 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -21.450 12.832 -16.881 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -19.568 14.226 -15.874 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -18.816 14.240 -17.457 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -20.736 15.380 -18.434 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -21.655 15.207 -16.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -20.568 17.424 -17.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -20.252 16.709 -15.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -19.073 16.670 -17.051 1.00 0.00 H new ATOM 1487 N SER A 91 -16.694 12.523 -17.434 1.00 0.00 N ATOM 1488 CA SER A 91 -15.735 13.506 -17.903 1.00 0.00 C ATOM 1489 C SER A 91 -14.566 12.795 -18.584 1.00 0.00 C ATOM 1490 O SER A 91 -13.408 13.005 -18.234 1.00 0.00 O ATOM 1491 CB SER A 91 -15.240 14.360 -16.725 1.00 0.00 C ATOM 1492 OG SER A 91 -14.431 15.439 -17.166 1.00 0.00 O ATOM 0 H SER A 91 -16.532 12.196 -16.482 1.00 0.00 H new ATOM 0 HA SER A 91 -16.214 14.166 -18.627 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.095 14.748 -16.172 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.671 13.736 -16.036 1.00 0.00 H new ATOM 0 HG SER A 91 -13.506 15.133 -17.270 1.00 0.00 H new ATOM 1498 N GLU A 92 -14.871 11.944 -19.555 1.00 0.00 N ATOM 1499 CA GLU A 92 -13.829 11.205 -20.260 1.00 0.00 C ATOM 1500 C GLU A 92 -13.153 12.088 -21.302 1.00 0.00 C ATOM 1501 O GLU A 92 -12.064 11.776 -21.786 1.00 0.00 O ATOM 1502 CB GLU A 92 -14.388 9.945 -20.924 1.00 0.00 C ATOM 1503 CG GLU A 92 -15.445 10.214 -21.982 1.00 0.00 C ATOM 1504 CD GLU A 92 -15.540 9.085 -22.985 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -14.733 9.077 -23.940 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -16.399 8.194 -22.823 1.00 0.00 O ATOM 0 H GLU A 92 -15.821 11.749 -19.871 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.088 10.899 -19.521 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.566 9.393 -21.380 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.816 9.302 -20.155 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.413 10.354 -21.501 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -15.210 11.143 -22.502 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.807 13.191 -21.650 1.00 0.00 N ATOM 1514 CA GLU A 93 -13.237 14.152 -22.584 1.00 0.00 C ATOM 1515 C GLU A 93 -12.171 14.986 -21.888 1.00 0.00 C ATOM 1516 O GLU A 93 -11.296 15.563 -22.532 1.00 0.00 O ATOM 1517 CB GLU A 93 -14.322 15.063 -23.155 1.00 0.00 C ATOM 1518 CG GLU A 93 -15.400 14.320 -23.930 1.00 0.00 C ATOM 1519 CD GLU A 93 -16.427 15.253 -24.536 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -17.363 15.658 -23.818 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -16.300 15.585 -25.734 1.00 0.00 O ATOM 0 H GLU A 93 -14.732 13.441 -21.299 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.781 13.602 -23.407 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.789 15.613 -22.338 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.858 15.799 -23.811 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.934 13.734 -24.722 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.901 13.616 -23.265 1.00 0.00 H new ATOM 1528 N LYS A 94 -12.251 15.044 -20.567 1.00 0.00 N ATOM 1529 CA LYS A 94 -11.263 15.752 -19.774 1.00 0.00 C ATOM 1530 C LYS A 94 -10.955 14.940 -18.517 1.00 0.00 C ATOM 1531 O LYS A 94 -11.634 15.077 -17.496 1.00 0.00 O ATOM 1532 CB LYS A 94 -11.768 17.160 -19.411 1.00 0.00 C ATOM 1533 CG LYS A 94 -10.678 18.145 -18.976 1.00 0.00 C ATOM 1534 CD LYS A 94 -10.051 17.763 -17.643 1.00 0.00 C ATOM 1535 CE LYS A 94 -9.005 18.769 -17.191 1.00 0.00 C ATOM 1536 NZ LYS A 94 -9.600 20.102 -16.913 1.00 0.00 N ATOM 0 H LYS A 94 -12.994 14.607 -20.022 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.348 15.871 -20.354 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -12.290 17.576 -20.273 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.499 17.072 -18.607 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.903 18.186 -19.741 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.105 19.145 -18.901 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.831 17.687 -16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.592 16.778 -17.728 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.509 18.399 -16.294 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.239 18.867 -17.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.904 20.697 -16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.869 20.556 -17.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.444 19.988 -16.316 1.00 0.00 H new ATOM 1550 N PRO A 95 -9.957 14.050 -18.593 1.00 0.00 N ATOM 1551 CA PRO A 95 -9.529 13.246 -17.459 1.00 0.00 C ATOM 1552 C PRO A 95 -8.450 13.939 -16.638 1.00 0.00 C ATOM 1553 O PRO A 95 -8.323 15.164 -16.658 1.00 0.00 O ATOM 1554 CB PRO A 95 -8.960 11.998 -18.131 1.00 0.00 C ATOM 1555 CG PRO A 95 -8.413 12.481 -19.436 1.00 0.00 C ATOM 1556 CD PRO A 95 -9.169 13.741 -19.801 1.00 0.00 C ATOM 0 HA PRO A 95 -10.340 13.049 -16.758 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.181 11.541 -17.521 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.732 11.243 -18.281 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.345 12.683 -19.354 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.535 11.722 -20.209 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.489 14.555 -20.053 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.812 13.583 -20.667 1.00 0.00 H new ATOM 1564 N ALA A 96 -7.676 13.145 -15.922 1.00 0.00 N ATOM 1565 CA ALA A 96 -6.568 13.657 -15.144 1.00 0.00 C ATOM 1566 C ALA A 96 -5.354 12.763 -15.339 1.00 0.00 C ATOM 1567 O ALA A 96 -5.492 11.545 -15.430 1.00 0.00 O ATOM 1568 CB ALA A 96 -6.946 13.743 -13.676 1.00 0.00 C ATOM 0 H ALA A 96 -7.798 12.134 -15.864 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.323 14.662 -15.486 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.102 14.130 -13.105 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.800 14.410 -13.559 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.208 12.751 -13.309 1.00 0.00 H new ATOM 1574 N PRO A 97 -4.153 13.354 -15.406 1.00 0.00 N ATOM 1575 CA PRO A 97 -2.911 12.609 -15.667 1.00 0.00 C ATOM 1576 C PRO A 97 -2.627 11.525 -14.628 1.00 0.00 C ATOM 1577 O PRO A 97 -1.829 10.617 -14.872 1.00 0.00 O ATOM 1578 CB PRO A 97 -1.819 13.687 -15.621 1.00 0.00 C ATOM 1579 CG PRO A 97 -2.440 14.845 -14.914 1.00 0.00 C ATOM 1580 CD PRO A 97 -3.902 14.797 -15.248 1.00 0.00 C ATOM 0 HA PRO A 97 -2.968 12.075 -16.616 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.936 13.330 -15.091 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.498 13.965 -16.625 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.283 14.775 -13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.996 15.785 -15.240 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.512 15.229 -14.455 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.127 15.349 -16.161 1.00 0.00 H new ATOM 1588 N TYR A 98 -3.278 11.612 -13.476 1.00 0.00 N ATOM 1589 CA TYR A 98 -3.067 10.638 -12.416 1.00 0.00 C ATOM 1590 C TYR A 98 -4.069 9.491 -12.497 1.00 0.00 C ATOM 1591 O TYR A 98 -3.987 8.540 -11.721 1.00 0.00 O ATOM 1592 CB TYR A 98 -3.121 11.303 -11.032 1.00 0.00 C ATOM 1593 CG TYR A 98 -4.379 12.110 -10.756 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -5.561 11.489 -10.369 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -4.374 13.496 -10.867 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -6.703 12.224 -10.105 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -5.512 14.238 -10.604 1.00 0.00 C ATOM 1598 CZ TYR A 98 -6.673 13.597 -10.222 1.00 0.00 C ATOM 1599 OH TYR A 98 -7.810 14.332 -9.966 1.00 0.00 O ATOM 0 H TYR A 98 -3.953 12.343 -13.253 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.070 10.221 -12.558 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.029 10.529 -10.270 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.256 11.958 -10.926 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.588 10.414 -10.273 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.467 14.002 -11.163 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.613 11.724 -9.809 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.492 15.314 -10.697 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.619 15.285 -10.093 1.00 0.00 H new ATOM 1609 N ILE A 99 -5.008 9.568 -13.433 1.00 0.00 N ATOM 1610 CA ILE A 99 -6.002 8.519 -13.574 1.00 0.00 C ATOM 1611 C ILE A 99 -5.521 7.432 -14.510 1.00 0.00 C ATOM 1612 O ILE A 99 -5.238 7.667 -15.688 1.00 0.00 O ATOM 1613 CB ILE A 99 -7.369 9.074 -14.025 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -8.108 9.588 -12.802 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.203 8.011 -14.735 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -9.093 10.697 -13.094 1.00 0.00 C ATOM 0 H ILE A 99 -5.099 10.337 -14.097 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.143 8.078 -12.587 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.203 9.882 -14.737 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.640 8.758 -12.337 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.379 9.947 -12.075 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.158 8.440 -15.037 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.668 7.658 -15.617 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.379 7.175 -14.058 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.577 11.007 -12.168 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.566 11.546 -13.529 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.846 10.339 -13.796 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.417 6.243 -13.953 1.00 0.00 N ATOM 1629 CA LYS A 100 -4.963 5.075 -14.692 1.00 0.00 C ATOM 1630 C LYS A 100 -5.800 3.857 -14.308 1.00 0.00 C ATOM 1631 O LYS A 100 -6.731 3.954 -13.509 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.489 4.777 -14.394 1.00 0.00 C ATOM 1633 CG LYS A 100 -2.534 5.943 -14.599 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.146 5.590 -14.089 1.00 0.00 C ATOM 1635 CE LYS A 100 -0.169 6.742 -14.239 1.00 0.00 C ATOM 1636 NZ LYS A 100 1.160 6.401 -13.665 1.00 0.00 N ATOM 0 H LYS A 100 -5.644 6.055 -12.976 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.076 5.286 -15.755 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.406 4.438 -13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.168 3.950 -15.027 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.485 6.199 -15.657 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.907 6.823 -14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.209 5.304 -13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.770 4.724 -14.634 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.058 6.993 -15.294 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.567 7.626 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.868 7.086 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.109 6.434 -12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.434 5.444 -13.968 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.458 2.708 -14.867 1.00 0.00 N ATOM 1651 CA VAL A 101 -6.143 1.468 -14.539 1.00 0.00 C ATOM 1652 C VAL A 101 -5.243 0.586 -13.673 1.00 0.00 C ATOM 1653 O VAL A 101 -4.049 0.448 -13.948 1.00 0.00 O ATOM 1654 CB VAL A 101 -6.575 0.712 -15.823 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -5.379 0.429 -16.720 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -7.313 -0.575 -15.479 1.00 0.00 C ATOM 0 H VAL A 101 -4.709 2.608 -15.552 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.045 1.712 -13.977 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.262 1.356 -16.372 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.711 -0.102 -17.612 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.911 1.370 -17.010 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.657 -0.184 -16.181 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.604 -1.084 -16.398 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.660 -1.224 -14.896 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.204 -0.339 -14.897 1.00 0.00 H new ATOM 1666 N ASP A 102 -5.801 0.026 -12.606 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.033 -0.838 -11.719 1.00 0.00 C ATOM 1668 C ASP A 102 -4.826 -2.201 -12.366 1.00 0.00 C ATOM 1669 O ASP A 102 -5.746 -3.007 -12.455 1.00 0.00 O ATOM 1670 CB ASP A 102 -5.732 -1.011 -10.372 1.00 0.00 C ATOM 1671 CG ASP A 102 -4.813 -1.622 -9.333 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -4.187 -2.665 -9.617 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -4.701 -1.051 -8.233 1.00 0.00 O ATOM 0 H ASP A 102 -6.776 0.154 -12.336 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.066 -0.365 -11.546 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.085 -0.042 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.610 -1.644 -10.497 1.00 0.00 H new ATOM 1678 N TRP A 103 -3.611 -2.450 -12.807 1.00 0.00 N ATOM 1679 CA TRP A 103 -3.294 -3.663 -13.555 1.00 0.00 C ATOM 1680 C TRP A 103 -3.133 -4.878 -12.633 1.00 0.00 C ATOM 1681 O TRP A 103 -2.907 -5.994 -13.101 1.00 0.00 O ATOM 1682 CB TRP A 103 -2.017 -3.429 -14.368 1.00 0.00 C ATOM 1683 CG TRP A 103 -1.829 -4.375 -15.515 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -1.140 -5.552 -15.507 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -2.328 -4.212 -16.848 1.00 0.00 C ATOM 1686 NE1 TRP A 103 -1.184 -6.136 -16.749 1.00 0.00 N ATOM 1687 CE2 TRP A 103 -1.906 -5.333 -17.591 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -3.093 -3.231 -17.485 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 -2.226 -5.497 -18.935 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -3.407 -3.396 -18.821 1.00 0.00 C ATOM 1691 CH2 TRP A 103 -2.973 -4.520 -19.533 1.00 0.00 C ATOM 0 H TRP A 103 -2.816 -1.827 -12.662 1.00 0.00 H new ATOM 0 HA TRP A 103 -4.124 -3.883 -14.226 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.028 -2.409 -14.753 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -1.158 -3.510 -13.702 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.633 -5.965 -14.648 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -0.750 -7.023 -17.003 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -3.432 -2.360 -16.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -1.896 -6.365 -19.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.997 -2.645 -19.324 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.233 -4.618 -20.577 1.00 0.00 H new ATOM 1702 N ASN A 104 -3.255 -4.679 -11.325 1.00 0.00 N ATOM 1703 CA ASN A 104 -3.035 -5.772 -10.384 1.00 0.00 C ATOM 1704 C ASN A 104 -4.308 -6.124 -9.618 1.00 0.00 C ATOM 1705 O ASN A 104 -4.557 -7.293 -9.314 1.00 0.00 O ATOM 1706 CB ASN A 104 -1.902 -5.428 -9.409 1.00 0.00 C ATOM 1707 CG ASN A 104 -1.562 -6.585 -8.483 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -2.023 -6.645 -7.341 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -0.776 -7.526 -8.983 1.00 0.00 N ATOM 0 H ASN A 104 -3.501 -3.786 -10.897 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.745 -6.648 -10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.014 -5.145 -9.974 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.190 -4.562 -8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -0.531 -8.339 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -0.416 -7.438 -9.933 1.00 0.00 H new ATOM 1716 N LYS A 105 -5.117 -5.121 -9.304 1.00 0.00 N ATOM 1717 CA LYS A 105 -6.353 -5.354 -8.567 1.00 0.00 C ATOM 1718 C LYS A 105 -7.482 -5.778 -9.500 1.00 0.00 C ATOM 1719 O LYS A 105 -8.579 -6.097 -9.046 1.00 0.00 O ATOM 1720 CB LYS A 105 -6.765 -4.113 -7.767 1.00 0.00 C ATOM 1721 CG LYS A 105 -5.723 -3.650 -6.755 1.00 0.00 C ATOM 1722 CD LYS A 105 -5.248 -4.781 -5.858 1.00 0.00 C ATOM 1723 CE LYS A 105 -6.384 -5.383 -5.048 1.00 0.00 C ATOM 1724 NZ LYS A 105 -5.927 -6.547 -4.251 1.00 0.00 N ATOM 0 H LYS A 105 -4.942 -4.145 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.163 -6.167 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.969 -3.298 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.696 -4.325 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.870 -3.226 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.145 -2.855 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.787 -5.558 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.479 -4.408 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.799 -4.626 -4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.186 -5.692 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.727 -6.933 -3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.554 -7.279 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.179 -6.246 -3.594 1.00 0.00 H new ATOM 1738 N TRP A 106 -7.217 -5.773 -10.802 1.00 0.00 N ATOM 1739 CA TRP A 106 -8.195 -6.258 -11.765 1.00 0.00 C ATOM 1740 C TRP A 106 -8.394 -7.764 -11.620 1.00 0.00 C ATOM 1741 O TRP A 106 -7.508 -8.482 -11.147 1.00 0.00 O ATOM 1742 CB TRP A 106 -7.782 -5.911 -13.195 1.00 0.00 C ATOM 1743 CG TRP A 106 -8.565 -4.773 -13.774 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -8.492 -3.460 -13.415 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -9.535 -4.850 -14.825 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -9.370 -2.716 -14.165 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -10.017 -3.544 -15.043 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -10.043 -5.894 -15.602 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -10.983 -3.257 -16.003 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -11.000 -5.606 -16.556 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -11.460 -4.297 -16.749 1.00 0.00 C ATOM 0 H TRP A 106 -6.343 -5.442 -11.210 1.00 0.00 H new ATOM 0 HA TRP A 106 -9.142 -5.760 -11.556 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -6.722 -5.659 -13.209 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -7.909 -6.790 -13.827 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.839 -3.063 -12.652 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.516 -1.710 -14.081 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -9.695 -6.906 -15.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -11.342 -2.249 -16.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -11.400 -6.404 -17.164 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -12.208 -4.106 -17.504 1.00 0.00 H new