USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 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 100 GLN : amide:sc= -1.5 K(o=-1.4,f=-2.1!) USER MOD Set 1.2: A 102 TYR OH : rot 109:sc= 0.0631 USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.988 (180deg=-0.636) USER MOD Single : A 5 THR OG1 : rot -86:sc= 0.117 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= -0.757 (180deg=-0.757) USER MOD Single : A 11 ASN : amide:sc= 0.302 K(o=0.3,f=-4.5!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -55:sc= 1.2 USER MOD Single : A 18 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.94) USER MOD Single : A 20 ASN : amide:sc=-9.59e-05 X(o=-9.6e-05,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 70:sc= -2.9! USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 27 GLN : amide:sc= -1.59 K(o=-1.6,f=-7.4!) USER MOD Single : A 30 ASN : amide:sc= -0.445 X(o=-0.44,f=-0.11) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 35 LYS NZ :NH3+ -131:sc= -1.85! (180deg=-5.28!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.226 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 39 ASN : amide:sc=-0.000141 X(o=-0.00014,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.561 K(o=0.56,f=-4.3!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -50:sc= 1.11 USER MOD Single : A 61 THR OG1 : rot -140:sc= -2.28! USER MOD Single : A 64 THR OG1 : rot -11:sc= -0.643 USER MOD Single : A 66 THR OG1 : rot 36:sc= -0.156! USER MOD Single : A 68 THR OG1 : rot -67:sc= 0.839 USER MOD Single : A 69 MET CE :methyl 168:sc= 0 (180deg=-0.0752) USER MOD Single : A 72 ASN : amide:sc= -0.627 K(o=-0.63,f=-2.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= -0.408 (180deg=-1.28!) USER MOD Single : A 83 ASN : amide:sc= -0.0395 K(o=-0.039,f=-2!) USER MOD Single : A 85 LYS NZ :NH3+ -116:sc= -6.25! (180deg=-7.25!) USER MOD Single : A 94 SER OG : rot -120:sc= 0.0504 USER MOD Single : A 96 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.9!) USER MOD Single : A 101 THR OG1 : rot 150:sc= -0.948 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -137:sc= 0.0853 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.210 -13.616 5.737 1.00 0.00 N ATOM 2 CA ALA A 1 14.172 -12.769 4.576 1.00 0.00 C ATOM 3 C ALA A 1 13.469 -11.423 4.798 1.00 0.00 C ATOM 4 O ALA A 1 14.095 -10.384 4.597 1.00 0.00 O ATOM 5 CB ALA A 1 13.493 -13.524 3.425 1.00 0.00 C ATOM 0 H1 ALA A 1 14.022 -14.599 5.456 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.149 -13.556 6.180 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.486 -13.306 6.417 1.00 0.00 H new ATOM 0 HA ALA A 1 15.207 -12.527 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.461 -12.887 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.058 -14.429 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.477 -13.793 3.715 1.00 0.00 H new ATOM 13 N PHE A 2 12.198 -11.587 5.205 1.00 0.00 N ATOM 14 CA PHE A 2 11.452 -10.369 5.437 1.00 0.00 C ATOM 15 C PHE A 2 11.595 -10.001 6.936 1.00 0.00 C ATOM 16 O PHE A 2 11.583 -8.793 7.223 1.00 0.00 O ATOM 17 CB PHE A 2 9.961 -10.481 5.145 1.00 0.00 C ATOM 18 CG PHE A 2 9.531 -9.899 3.820 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.326 -9.245 2.915 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.208 -10.046 3.496 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.746 -8.784 1.756 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.688 -9.556 2.300 1.00 0.00 C ATOM 23 CZ PHE A 2 8.413 -8.968 1.497 1.00 0.00 C ATOM 0 H PHE A 2 11.713 -12.470 5.365 1.00 0.00 H new ATOM 0 HA PHE A 2 11.861 -9.621 4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.677 -11.533 5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.410 -9.981 5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.378 -9.096 3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.551 -10.555 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.356 -8.264 1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.641 -9.693 2.075 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.993 -8.592 0.576 1.00 0.00 H new ATOM 33 N ASP A 3 11.717 -11.064 7.757 1.00 0.00 N ATOM 34 CA ASP A 3 11.855 -10.827 9.158 1.00 0.00 C ATOM 35 C ASP A 3 12.708 -9.631 9.573 1.00 0.00 C ATOM 36 O ASP A 3 13.913 -9.766 9.757 1.00 0.00 O ATOM 37 CB ASP A 3 12.565 -12.034 9.813 1.00 0.00 C ATOM 38 CG ASP A 3 13.502 -12.691 8.823 1.00 0.00 C ATOM 39 OD1 ASP A 3 13.059 -13.576 8.075 1.00 0.00 O ATOM 40 OD2 ASP A 3 14.683 -12.360 8.750 1.00 0.00 O ATOM 0 H ASP A 3 11.720 -12.042 7.467 1.00 0.00 H new ATOM 0 HA ASP A 3 10.829 -10.645 9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.123 -11.705 10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.825 -12.756 10.159 1.00 0.00 H new ATOM 45 N GLY A 4 12.062 -8.454 9.709 1.00 0.00 N ATOM 46 CA GLY A 4 12.914 -7.324 10.102 1.00 0.00 C ATOM 47 C GLY A 4 12.094 -6.073 9.829 1.00 0.00 C ATOM 48 O GLY A 4 10.990 -6.248 9.303 1.00 0.00 O ATOM 0 H GLY A 4 11.068 -8.272 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.189 -7.389 11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.842 -7.316 9.530 1.00 0.00 H new ATOM 52 N THR A 5 12.646 -4.911 10.185 1.00 0.00 N ATOM 53 CA THR A 5 11.760 -3.763 9.883 1.00 0.00 C ATOM 54 C THR A 5 12.093 -3.207 8.523 1.00 0.00 C ATOM 55 O THR A 5 13.210 -3.522 8.099 1.00 0.00 O ATOM 56 CB THR A 5 12.268 -2.664 10.858 1.00 0.00 C ATOM 57 OG1 THR A 5 13.565 -2.859 11.275 1.00 0.00 O ATOM 58 CG2 THR A 5 11.338 -2.443 12.060 1.00 0.00 C ATOM 0 H THR A 5 13.554 -4.737 10.615 1.00 0.00 H new ATOM 0 HA THR A 5 10.708 -4.039 9.949 1.00 0.00 H new ATOM 0 HB THR A 5 12.255 -1.750 10.264 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.572 -3.452 12.055 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.750 -1.664 12.701 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.353 -2.139 11.707 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.250 -3.370 12.627 1.00 0.00 H new ATOM 66 N TRP A 6 11.192 -2.441 7.895 1.00 0.00 N ATOM 67 CA TRP A 6 11.468 -1.883 6.606 1.00 0.00 C ATOM 68 C TRP A 6 11.226 -0.363 6.597 1.00 0.00 C ATOM 69 O TRP A 6 10.531 0.008 7.505 1.00 0.00 O ATOM 70 CB TRP A 6 10.618 -2.408 5.442 1.00 0.00 C ATOM 71 CG TRP A 6 11.004 -3.762 4.953 1.00 0.00 C ATOM 72 CD1 TRP A 6 11.139 -4.905 5.790 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.340 -4.293 3.628 1.00 0.00 C ATOM 74 NE1 TRP A 6 11.485 -5.895 5.028 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.651 -5.666 3.679 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.397 -3.690 2.403 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.995 -6.382 2.600 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.752 -4.423 1.287 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.047 -5.747 1.385 1.00 0.00 C ATOM 0 H TRP A 6 10.275 -2.206 8.274 1.00 0.00 H new ATOM 0 HA TRP A 6 12.506 -2.176 6.450 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.574 -2.433 5.754 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.686 -1.704 4.613 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.983 -4.941 6.858 1.00 0.00 H new ATOM 0 HE1 TRP A 6 11.632 -6.826 5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.164 -2.640 2.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.226 -7.434 2.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.796 -3.938 0.323 1.00 0.00 H new ATOM 0 HH2 TRP A 6 12.324 -6.302 0.501 1.00 0.00 H new ATOM 90 N LYS A 7 11.754 0.395 5.656 1.00 0.00 N ATOM 91 CA LYS A 7 11.586 1.808 5.542 1.00 0.00 C ATOM 92 C LYS A 7 11.763 2.653 6.823 1.00 0.00 C ATOM 93 O LYS A 7 12.008 2.173 7.888 1.00 0.00 O ATOM 94 CB LYS A 7 10.102 2.094 5.114 1.00 0.00 C ATOM 95 CG LYS A 7 9.945 1.206 3.930 1.00 0.00 C ATOM 96 CD LYS A 7 8.678 1.547 3.085 1.00 0.00 C ATOM 97 CE LYS A 7 7.465 1.898 3.891 1.00 0.00 C ATOM 98 NZ LYS A 7 6.177 1.380 3.363 1.00 0.00 N ATOM 0 H LYS A 7 12.341 0.009 4.917 1.00 0.00 H new ATOM 0 HA LYS A 7 12.370 2.095 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.394 1.848 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.945 3.143 4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.830 1.288 3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.886 0.170 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.912 2.381 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.441 0.694 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.601 1.520 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.399 2.984 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.401 1.676 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.015 1.760 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.211 0.341 3.321 1.00 0.00 H new ATOM 112 N VAL A 8 11.548 3.906 6.446 1.00 0.00 N ATOM 113 CA VAL A 8 11.494 5.078 7.285 1.00 0.00 C ATOM 114 C VAL A 8 11.719 4.935 8.748 1.00 0.00 C ATOM 115 O VAL A 8 11.128 4.329 9.625 1.00 0.00 O ATOM 116 CB VAL A 8 9.990 5.471 7.084 1.00 0.00 C ATOM 117 CG1 VAL A 8 9.212 5.855 8.320 1.00 0.00 C ATOM 118 CG2 VAL A 8 9.876 6.706 6.199 1.00 0.00 C ATOM 0 H VAL A 8 11.396 4.139 5.465 1.00 0.00 H new ATOM 0 HA VAL A 8 12.294 5.761 7.001 1.00 0.00 H new ATOM 0 HB VAL A 8 9.573 4.552 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.188 6.104 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.206 5.020 9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.680 6.719 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.825 6.965 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.400 7.539 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.321 6.499 5.226 1.00 0.00 H new ATOM 128 N ASP A 9 12.821 5.637 9.093 1.00 0.00 N ATOM 129 CA ASP A 9 13.263 5.664 10.461 1.00 0.00 C ATOM 130 C ASP A 9 13.867 7.045 10.777 1.00 0.00 C ATOM 131 O ASP A 9 14.824 7.133 11.525 1.00 0.00 O ATOM 132 CB ASP A 9 14.319 4.595 10.640 1.00 0.00 C ATOM 133 CG ASP A 9 15.535 4.996 9.793 1.00 0.00 C ATOM 134 OD1 ASP A 9 15.316 5.071 8.605 1.00 0.00 O ATOM 135 OD2 ASP A 9 16.628 5.213 10.294 1.00 0.00 O ATOM 0 H ASP A 9 13.394 6.174 8.442 1.00 0.00 H new ATOM 0 HA ASP A 9 12.425 5.480 11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.597 4.504 11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.937 3.624 10.326 1.00 0.00 H new ATOM 140 N ARG A 10 13.291 8.105 10.184 1.00 0.00 N ATOM 141 CA ARG A 10 13.827 9.426 10.446 1.00 0.00 C ATOM 142 C ARG A 10 13.481 9.855 11.883 1.00 0.00 C ATOM 143 O ARG A 10 12.982 9.068 12.658 1.00 0.00 O ATOM 144 CB ARG A 10 13.166 10.425 9.487 1.00 0.00 C ATOM 145 CG ARG A 10 13.912 10.560 8.158 1.00 0.00 C ATOM 146 CD ARG A 10 14.874 11.725 8.085 1.00 0.00 C ATOM 147 NE ARG A 10 14.638 12.355 6.774 1.00 0.00 N ATOM 148 CZ ARG A 10 13.650 13.229 6.571 1.00 0.00 C ATOM 149 NH1 ARG A 10 12.813 13.577 7.565 1.00 0.00 N ATOM 150 NH2 ARG A 10 13.479 13.762 5.375 1.00 0.00 N ATOM 0 H ARG A 10 12.492 8.067 9.551 1.00 0.00 H new ATOM 0 HA ARG A 10 14.908 9.407 10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.141 10.109 9.292 1.00 0.00 H new ATOM 0 HB3 ARG A 10 13.113 11.402 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.464 9.639 7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.181 10.660 7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.696 12.431 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.906 11.387 8.177 1.00 0.00 H new ATOM 0 HE ARG A 10 15.251 12.115 5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.927 13.171 8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.064 14.247 7.390 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.101 13.506 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.725 14.430 5.218 1.00 0.00 H new ATOM 164 N ASN A 11 13.785 11.153 12.175 1.00 0.00 N ATOM 165 CA ASN A 11 13.517 11.713 13.492 1.00 0.00 C ATOM 166 C ASN A 11 11.990 11.905 13.618 1.00 0.00 C ATOM 167 O ASN A 11 11.277 11.116 13.034 1.00 0.00 O ATOM 168 CB ASN A 11 14.231 13.027 13.651 1.00 0.00 C ATOM 169 CG ASN A 11 14.625 13.237 15.128 1.00 0.00 C ATOM 170 OD1 ASN A 11 13.804 13.555 15.983 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.942 13.017 15.249 1.00 0.00 N ATOM 0 H ASN A 11 14.208 11.805 11.514 1.00 0.00 H new ATOM 0 HA ASN A 11 13.877 11.044 14.274 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.121 13.045 13.022 1.00 0.00 H new ATOM 0 HB3 ASN A 11 13.589 13.842 13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.393 13.110 16.159 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.493 12.756 14.431 1.00 0.00 H new ATOM 178 N GLU A 12 11.561 12.929 14.356 1.00 0.00 N ATOM 179 CA GLU A 12 10.130 13.194 14.532 1.00 0.00 C ATOM 180 C GLU A 12 9.492 12.114 15.418 1.00 0.00 C ATOM 181 O GLU A 12 9.530 10.935 15.067 1.00 0.00 O ATOM 182 CB GLU A 12 9.472 13.237 13.163 1.00 0.00 C ATOM 183 CG GLU A 12 10.305 14.072 12.171 1.00 0.00 C ATOM 184 CD GLU A 12 9.536 14.178 10.855 1.00 0.00 C ATOM 185 OE1 GLU A 12 9.609 13.247 10.039 1.00 0.00 O ATOM 186 OE2 GLU A 12 8.862 15.183 10.638 1.00 0.00 O ATOM 0 H GLU A 12 12.176 13.584 14.838 1.00 0.00 H new ATOM 0 HA GLU A 12 9.987 14.153 15.030 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.355 12.223 12.781 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.472 13.662 13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.495 15.065 12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.276 13.604 12.005 1.00 0.00 H new ATOM 193 N ASN A 13 8.920 12.561 16.555 1.00 0.00 N ATOM 194 CA ASN A 13 8.294 11.589 17.444 1.00 0.00 C ATOM 195 C ASN A 13 6.793 11.825 17.418 1.00 0.00 C ATOM 196 O ASN A 13 5.930 11.021 17.064 1.00 0.00 O ATOM 197 CB ASN A 13 8.852 11.814 18.855 1.00 0.00 C ATOM 198 CG ASN A 13 8.171 10.878 19.869 1.00 0.00 C ATOM 199 OD1 ASN A 13 7.510 11.369 20.766 1.00 0.00 O ATOM 200 ND2 ASN A 13 8.361 9.553 19.684 1.00 0.00 N ATOM 0 H ASN A 13 8.882 13.534 16.859 1.00 0.00 H new ATOM 0 HA ASN A 13 8.500 10.565 17.134 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.928 11.639 18.857 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.697 12.852 19.151 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.935 8.882 20.323 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.931 9.223 18.905 1.00 0.00 H new ATOM 207 N TYR A 14 6.504 13.058 17.852 1.00 0.00 N ATOM 208 CA TYR A 14 5.136 13.533 17.919 1.00 0.00 C ATOM 209 C TYR A 14 5.096 15.056 17.983 1.00 0.00 C ATOM 210 O TYR A 14 6.087 15.705 18.333 1.00 0.00 O ATOM 211 CB TYR A 14 4.510 12.897 19.172 1.00 0.00 C ATOM 212 CG TYR A 14 3.284 12.131 18.833 1.00 0.00 C ATOM 213 CD1 TYR A 14 3.279 10.779 18.478 1.00 0.00 C ATOM 214 CD2 TYR A 14 2.013 12.667 18.829 1.00 0.00 C ATOM 215 CE1 TYR A 14 2.092 10.100 18.173 1.00 0.00 C ATOM 216 CE2 TYR A 14 0.889 11.921 18.511 1.00 0.00 C ATOM 217 CZ TYR A 14 0.850 10.724 18.201 1.00 0.00 C ATOM 218 OH TYR A 14 -0.342 10.107 17.915 1.00 0.00 O ATOM 0 H TYR A 14 7.203 13.735 18.159 1.00 0.00 H new ATOM 0 HA TYR A 14 4.575 13.250 17.028 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.235 12.236 19.648 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.267 13.676 19.895 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.216 10.243 18.438 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.889 13.709 19.084 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.144 9.055 17.907 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.057 12.442 18.537 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.074 10.752 18.004 1.00 0.00 H new ATOM 228 N SER A 15 3.904 15.561 17.629 1.00 0.00 N ATOM 229 CA SER A 15 3.726 16.986 17.642 1.00 0.00 C ATOM 230 C SER A 15 4.744 17.581 16.668 1.00 0.00 C ATOM 231 O SER A 15 5.211 18.693 16.862 1.00 0.00 O ATOM 232 CB SER A 15 3.920 17.546 19.061 1.00 0.00 C ATOM 233 OG SER A 15 3.869 18.954 19.034 1.00 0.00 O ATOM 0 H SER A 15 3.091 15.015 17.344 1.00 0.00 H new ATOM 0 HA SER A 15 2.714 17.250 17.336 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.146 17.158 19.723 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.878 17.216 19.463 1.00 0.00 H new ATOM 0 HG SER A 15 4.528 19.293 18.392 1.00 0.00 H new ATOM 239 N GLY A 16 5.054 16.786 15.626 1.00 0.00 N ATOM 240 CA GLY A 16 6.000 17.215 14.624 1.00 0.00 C ATOM 241 C GLY A 16 5.311 17.910 13.445 1.00 0.00 C ATOM 242 O GLY A 16 5.524 19.085 13.190 1.00 0.00 O ATOM 0 H GLY A 16 4.660 15.858 15.472 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.722 17.896 15.075 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.559 16.353 14.260 1.00 0.00 H new ATOM 246 N ALA A 17 4.482 17.069 12.779 1.00 0.00 N ATOM 247 CA ALA A 17 3.728 17.552 11.609 1.00 0.00 C ATOM 248 C ALA A 17 3.045 16.308 11.047 1.00 0.00 C ATOM 249 O ALA A 17 1.800 16.237 11.018 1.00 0.00 O ATOM 250 CB ALA A 17 4.730 18.117 10.619 1.00 0.00 C ATOM 0 H ALA A 17 4.325 16.091 13.023 1.00 0.00 H new ATOM 0 HA ALA A 17 2.998 18.329 11.837 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.204 18.485 9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.277 18.937 11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.430 17.335 10.324 1.00 0.00 H new ATOM 256 N HIS A 18 3.824 15.318 10.588 1.00 0.00 N ATOM 257 CA HIS A 18 3.208 14.116 10.040 1.00 0.00 C ATOM 258 C HIS A 18 4.223 13.055 9.586 1.00 0.00 C ATOM 259 O HIS A 18 5.210 13.370 8.923 1.00 0.00 O ATOM 260 CB HIS A 18 2.254 14.460 8.912 1.00 0.00 C ATOM 261 CG HIS A 18 0.810 14.234 9.315 1.00 0.00 C ATOM 262 ND1 HIS A 18 -0.129 15.122 9.001 1.00 0.00 N ATOM 263 CD2 HIS A 18 0.279 13.168 10.007 1.00 0.00 C ATOM 264 CE1 HIS A 18 -1.300 14.662 9.484 1.00 0.00 C ATOM 265 NE2 HIS A 18 -1.034 13.350 10.156 1.00 0.00 N ATOM 0 H HIS A 18 4.844 15.328 10.586 1.00 0.00 H new ATOM 0 HA HIS A 18 2.646 13.669 10.860 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.393 15.501 8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.488 13.852 8.038 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.838 12.319 10.372 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.259 15.152 9.401 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.703 12.737 10.621 1.00 0.00 H new ATOM 274 N ASP A 19 3.881 11.809 10.001 1.00 0.00 N ATOM 275 CA ASP A 19 4.754 10.709 9.638 1.00 0.00 C ATOM 276 C ASP A 19 4.237 10.005 8.368 1.00 0.00 C ATOM 277 O ASP A 19 3.307 10.552 7.802 1.00 0.00 O ATOM 278 CB ASP A 19 4.843 9.783 10.837 1.00 0.00 C ATOM 279 CG ASP A 19 3.757 8.719 10.674 1.00 0.00 C ATOM 280 OD1 ASP A 19 2.584 8.958 10.875 1.00 0.00 O ATOM 281 OD2 ASP A 19 4.087 7.569 10.329 1.00 0.00 O ATOM 0 H ASP A 19 3.057 11.567 10.552 1.00 0.00 H new ATOM 0 HA ASP A 19 5.756 11.061 9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.828 9.320 10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.699 10.339 11.763 1.00 0.00 H new ATOM 286 N ASN A 20 4.877 8.866 8.029 1.00 0.00 N ATOM 287 CA ASN A 20 4.446 8.140 6.830 1.00 0.00 C ATOM 288 C ASN A 20 4.002 6.702 7.149 1.00 0.00 C ATOM 289 O ASN A 20 2.981 6.497 7.779 1.00 0.00 O ATOM 290 CB ASN A 20 5.609 8.252 5.868 1.00 0.00 C ATOM 291 CG ASN A 20 5.692 9.638 5.234 1.00 0.00 C ATOM 292 OD1 ASN A 20 6.562 10.399 5.630 1.00 0.00 O ATOM 293 ND2 ASN A 20 4.755 9.822 4.296 1.00 0.00 N ATOM 0 H ASN A 20 5.654 8.450 8.542 1.00 0.00 H new ATOM 0 HA ASN A 20 3.549 8.564 6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.538 8.038 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.506 7.500 5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.702 10.709 3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.094 9.075 4.082 1.00 0.00 H new ATOM 300 N LEU A 21 4.817 5.778 6.687 1.00 0.00 N ATOM 301 CA LEU A 21 4.532 4.346 6.914 1.00 0.00 C ATOM 302 C LEU A 21 5.911 3.712 7.233 1.00 0.00 C ATOM 303 O LEU A 21 6.837 4.490 7.426 1.00 0.00 O ATOM 304 CB LEU A 21 3.932 3.671 5.696 1.00 0.00 C ATOM 305 CG LEU A 21 3.896 4.495 4.409 1.00 0.00 C ATOM 306 CD1 LEU A 21 3.455 3.641 3.196 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.874 5.646 4.484 1.00 0.00 C ATOM 0 H LEU A 21 5.669 5.969 6.161 1.00 0.00 H new ATOM 0 HA LEU A 21 3.801 4.223 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.494 2.757 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.912 3.373 5.939 1.00 0.00 H new ATOM 0 HG LEU A 21 4.912 4.873 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.442 4.261 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.156 2.818 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.457 3.242 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.884 6.203 3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.878 5.237 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.136 6.313 5.306 1.00 0.00 H new ATOM 319 N LYS A 22 5.841 2.388 7.235 1.00 0.00 N ATOM 320 CA LYS A 22 6.973 1.545 7.502 1.00 0.00 C ATOM 321 C LYS A 22 6.429 0.097 7.259 1.00 0.00 C ATOM 322 O LYS A 22 5.370 -0.240 7.710 1.00 0.00 O ATOM 323 CB LYS A 22 7.263 1.436 9.026 1.00 0.00 C ATOM 324 CG LYS A 22 6.123 2.057 9.841 1.00 0.00 C ATOM 325 CD LYS A 22 6.211 1.933 11.348 1.00 0.00 C ATOM 326 CE LYS A 22 7.648 1.903 11.870 1.00 0.00 C ATOM 327 NZ LYS A 22 7.827 2.363 13.239 1.00 0.00 N ATOM 0 H LYS A 22 4.981 1.873 7.048 1.00 0.00 H new ATOM 0 HA LYS A 22 7.825 1.911 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.387 0.389 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.200 1.941 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.065 3.116 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.187 1.601 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.683 2.770 11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.699 1.023 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.021 0.882 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.267 2.516 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.833 2.304 13.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.507 3.349 13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.269 1.765 13.882 1.00 0.00 H new ATOM 341 N LEU A 23 7.305 -0.568 6.543 1.00 0.00 N ATOM 342 CA LEU A 23 6.976 -1.958 6.229 1.00 0.00 C ATOM 343 C LEU A 23 7.797 -2.631 7.365 1.00 0.00 C ATOM 344 O LEU A 23 8.689 -1.876 7.764 1.00 0.00 O ATOM 345 CB LEU A 23 7.232 -2.424 4.839 1.00 0.00 C ATOM 346 CG LEU A 23 6.082 -2.172 3.840 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.687 -2.169 2.417 1.00 0.00 C ATOM 348 CD2 LEU A 23 4.995 -3.200 3.745 1.00 0.00 C ATOM 0 H LEU A 23 8.191 -0.213 6.184 1.00 0.00 H new ATOM 0 HA LEU A 23 5.912 -2.193 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.130 -1.931 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.443 -3.493 4.864 1.00 0.00 H new ATOM 0 HG LEU A 23 5.634 -1.249 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.898 -1.993 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.434 -1.379 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.156 -3.133 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.260 -2.885 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.424 -4.157 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.509 -3.306 4.715 1.00 0.00 H new ATOM 360 N THR A 24 7.476 -3.834 7.745 1.00 0.00 N ATOM 361 CA THR A 24 8.248 -4.492 8.819 1.00 0.00 C ATOM 362 C THR A 24 7.447 -5.773 9.064 1.00 0.00 C ATOM 363 O THR A 24 6.479 -5.974 9.772 1.00 0.00 O ATOM 364 CB THR A 24 8.219 -3.619 10.055 1.00 0.00 C ATOM 365 OG1 THR A 24 9.174 -2.559 10.108 1.00 0.00 O ATOM 366 CG2 THR A 24 8.246 -4.341 11.411 1.00 0.00 C ATOM 0 H THR A 24 6.712 -4.386 7.355 1.00 0.00 H new ATOM 0 HA THR A 24 9.294 -4.674 8.574 1.00 0.00 H new ATOM 0 HB THR A 24 7.227 -3.191 9.910 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.941 -1.875 9.446 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.221 -3.606 12.215 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.379 -4.996 11.492 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.157 -4.934 11.489 1.00 0.00 H new ATOM 374 N ILE A 25 7.964 -6.760 8.347 1.00 0.00 N ATOM 375 CA ILE A 25 7.347 -8.069 8.440 1.00 0.00 C ATOM 376 C ILE A 25 8.216 -9.018 9.235 1.00 0.00 C ATOM 377 O ILE A 25 9.415 -8.985 9.036 1.00 0.00 O ATOM 378 CB ILE A 25 7.177 -8.466 6.957 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.482 -7.384 6.139 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.473 -9.814 6.829 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.426 -6.530 5.297 1.00 0.00 C ATOM 0 H ILE A 25 8.769 -6.687 7.725 1.00 0.00 H new ATOM 0 HA ILE A 25 6.396 -8.088 8.973 1.00 0.00 H new ATOM 0 HB ILE A 25 8.177 -8.570 6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.752 -7.855 5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.928 -6.733 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.366 -10.070 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.062 -10.581 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.487 -9.755 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.850 -5.786 4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.141 -6.027 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.962 -7.166 4.593 1.00 0.00 H new ATOM 393 N THR A 26 7.561 -9.809 10.090 1.00 0.00 N ATOM 394 CA THR A 26 8.379 -10.702 10.851 1.00 0.00 C ATOM 395 C THR A 26 7.452 -11.632 11.681 1.00 0.00 C ATOM 396 O THR A 26 7.325 -11.507 12.889 1.00 0.00 O ATOM 397 CB THR A 26 9.266 -10.024 11.891 1.00 0.00 C ATOM 398 OG1 THR A 26 10.059 -8.969 11.476 1.00 0.00 O ATOM 399 CG2 THR A 26 10.176 -11.109 12.528 1.00 0.00 C ATOM 0 H THR A 26 6.555 -9.841 10.253 1.00 0.00 H new ATOM 0 HA THR A 26 9.009 -11.206 10.118 1.00 0.00 H new ATOM 0 HB THR A 26 8.564 -9.562 12.585 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.573 -8.627 12.237 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.821 -10.649 13.276 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.557 -11.871 13.001 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.790 -11.570 11.754 1.00 0.00 H new ATOM 407 N GLN A 27 6.851 -12.538 10.905 1.00 0.00 N ATOM 408 CA GLN A 27 5.982 -13.435 11.637 1.00 0.00 C ATOM 409 C GLN A 27 6.705 -14.709 12.083 1.00 0.00 C ATOM 410 O GLN A 27 7.337 -14.672 13.125 1.00 0.00 O ATOM 411 CB GLN A 27 4.705 -13.697 10.791 1.00 0.00 C ATOM 412 CG GLN A 27 3.501 -12.866 11.176 1.00 0.00 C ATOM 413 CD GLN A 27 2.878 -13.181 12.534 1.00 0.00 C ATOM 414 OE1 GLN A 27 1.993 -13.994 12.713 1.00 0.00 O ATOM 415 NE2 GLN A 27 3.477 -12.410 13.449 1.00 0.00 N ATOM 0 H GLN A 27 6.935 -12.660 9.896 1.00 0.00 H new ATOM 0 HA GLN A 27 5.673 -12.966 12.571 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.937 -13.509 9.743 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.442 -14.751 10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.791 -11.815 11.166 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.737 -12.993 10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.213 -11.762 13.167 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.198 -12.470 14.428 1.00 0.00 H new ATOM 424 N GLU A 28 6.555 -15.758 11.233 1.00 0.00 N ATOM 425 CA GLU A 28 7.222 -16.994 11.612 1.00 0.00 C ATOM 426 C GLU A 28 7.603 -17.733 10.327 1.00 0.00 C ATOM 427 O GLU A 28 8.154 -18.837 10.531 1.00 0.00 O ATOM 428 CB GLU A 28 6.222 -17.790 12.450 1.00 0.00 C ATOM 429 CG GLU A 28 4.741 -17.506 12.237 1.00 0.00 C ATOM 430 CD GLU A 28 4.194 -16.910 13.531 1.00 0.00 C ATOM 431 OE1 GLU A 28 4.314 -15.692 13.637 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.674 -17.639 14.374 1.00 0.00 O ATOM 0 H GLU A 28 6.025 -15.766 10.361 1.00 0.00 H new ATOM 0 HA GLU A 28 8.130 -16.832 12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.392 -18.850 12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.450 -17.615 13.501 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.599 -16.814 11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.208 -18.422 11.982 1.00 0.00 H new ATOM 439 N GLY A 29 7.345 -17.201 9.138 1.00 0.00 N ATOM 440 CA GLY A 29 7.752 -18.010 7.970 1.00 0.00 C ATOM 441 C GLY A 29 6.388 -18.380 7.361 1.00 0.00 C ATOM 442 O GLY A 29 6.281 -18.504 6.158 1.00 0.00 O ATOM 0 H GLY A 29 6.900 -16.302 8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.371 -17.443 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.324 -18.891 8.261 1.00 0.00 H new ATOM 446 N ASN A 30 5.427 -18.537 8.286 1.00 0.00 N ATOM 447 CA ASN A 30 4.100 -18.888 7.939 1.00 0.00 C ATOM 448 C ASN A 30 3.174 -17.669 7.887 1.00 0.00 C ATOM 449 O ASN A 30 2.329 -17.744 6.971 1.00 0.00 O ATOM 450 CB ASN A 30 3.370 -19.832 8.935 1.00 0.00 C ATOM 451 CG ASN A 30 4.307 -20.685 9.716 1.00 0.00 C ATOM 452 OD1 ASN A 30 4.161 -20.841 10.924 1.00 0.00 O ATOM 453 ND2 ASN A 30 5.305 -21.260 9.029 1.00 0.00 N ATOM 0 H ASN A 30 5.580 -18.417 9.287 1.00 0.00 H new ATOM 0 HA ASN A 30 4.254 -19.380 6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.772 -19.234 9.623 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.679 -20.470 8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.980 -21.854 9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.389 -21.103 8.025 1.00 0.00 H new ATOM 460 N LYS A 31 3.316 -16.677 8.761 1.00 0.00 N ATOM 461 CA LYS A 31 2.386 -15.577 8.615 1.00 0.00 C ATOM 462 C LYS A 31 3.357 -14.478 8.140 1.00 0.00 C ATOM 463 O LYS A 31 4.545 -14.854 8.174 1.00 0.00 O ATOM 464 CB LYS A 31 1.729 -15.214 9.922 1.00 0.00 C ATOM 465 CG LYS A 31 0.721 -16.307 10.304 1.00 0.00 C ATOM 466 CD LYS A 31 0.306 -16.231 11.762 1.00 0.00 C ATOM 467 CE LYS A 31 -0.739 -17.285 12.002 1.00 0.00 C ATOM 468 NZ LYS A 31 -0.843 -17.674 13.427 1.00 0.00 N ATOM 0 H LYS A 31 4.003 -16.613 9.512 1.00 0.00 H new ATOM 0 HA LYS A 31 1.544 -15.772 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.482 -15.108 10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.224 -14.252 9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.163 -16.218 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.158 -17.285 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.166 -16.392 12.412 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.089 -15.242 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.706 -16.917 11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.504 -18.166 11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.577 -18.402 13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.070 -18.052 13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.095 -16.841 13.997 1.00 0.00 H new ATOM 482 N PHE A 32 2.869 -13.313 7.771 1.00 0.00 N ATOM 483 CA PHE A 32 3.955 -12.387 7.382 1.00 0.00 C ATOM 484 C PHE A 32 3.191 -11.064 7.313 1.00 0.00 C ATOM 485 O PHE A 32 2.977 -10.477 6.304 1.00 0.00 O ATOM 486 CB PHE A 32 4.809 -12.792 6.233 1.00 0.00 C ATOM 487 CG PHE A 32 4.303 -12.249 4.931 1.00 0.00 C ATOM 488 CD1 PHE A 32 3.241 -12.842 4.292 1.00 0.00 C ATOM 489 CD2 PHE A 32 4.836 -11.155 4.305 1.00 0.00 C ATOM 490 CE1 PHE A 32 2.835 -12.271 3.098 1.00 0.00 C ATOM 491 CE2 PHE A 32 4.362 -10.645 3.105 1.00 0.00 C ATOM 492 CZ PHE A 32 3.290 -11.311 2.542 1.00 0.00 C ATOM 0 H PHE A 32 1.899 -12.999 7.726 1.00 0.00 H new ATOM 0 HA PHE A 32 4.789 -12.345 8.083 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.828 -12.442 6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.850 -13.880 6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.747 -13.711 4.701 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.674 -10.660 4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.003 -12.751 2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.805 -9.778 2.638 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.866 -10.970 1.609 1.00 0.00 H new ATOM 502 N THR A 33 2.858 -10.770 8.575 1.00 0.00 N ATOM 503 CA THR A 33 2.112 -9.535 8.766 1.00 0.00 C ATOM 504 C THR A 33 2.974 -8.488 8.121 1.00 0.00 C ATOM 505 O THR A 33 4.139 -8.300 8.448 1.00 0.00 O ATOM 506 CB THR A 33 1.820 -9.351 10.229 1.00 0.00 C ATOM 507 OG1 THR A 33 0.433 -9.455 10.521 1.00 0.00 O ATOM 508 CG2 THR A 33 2.151 -7.976 10.731 1.00 0.00 C ATOM 0 H THR A 33 3.072 -11.318 9.408 1.00 0.00 H new ATOM 0 HA THR A 33 1.123 -9.503 8.309 1.00 0.00 H new ATOM 0 HB THR A 33 2.425 -10.128 10.696 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.291 -9.331 11.483 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.917 -7.910 11.793 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.213 -7.780 10.581 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.565 -7.238 10.184 1.00 0.00 H new ATOM 516 N VAL A 34 2.308 -7.836 7.184 1.00 0.00 N ATOM 517 CA VAL A 34 3.097 -6.786 6.495 1.00 0.00 C ATOM 518 C VAL A 34 2.790 -5.583 7.330 1.00 0.00 C ATOM 519 O VAL A 34 1.690 -5.384 7.810 1.00 0.00 O ATOM 520 CB VAL A 34 2.438 -6.876 5.119 1.00 0.00 C ATOM 521 CG1 VAL A 34 1.645 -5.705 4.585 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.427 -7.185 3.966 1.00 0.00 C ATOM 0 H VAL A 34 1.340 -7.974 6.894 1.00 0.00 H new ATOM 0 HA VAL A 34 4.181 -6.820 6.382 1.00 0.00 H new ATOM 0 HB VAL A 34 1.747 -7.681 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.253 -5.951 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.817 -5.488 5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.292 -4.831 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.883 -7.233 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.179 -6.398 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.915 -8.142 4.152 1.00 0.00 H new ATOM 532 N LYS A 35 3.899 -4.784 7.453 1.00 0.00 N ATOM 533 CA LYS A 35 3.745 -3.593 8.234 1.00 0.00 C ATOM 534 C LYS A 35 3.041 -2.400 7.610 1.00 0.00 C ATOM 535 O LYS A 35 2.889 -1.338 8.185 1.00 0.00 O ATOM 536 CB LYS A 35 5.020 -3.124 8.955 1.00 0.00 C ATOM 537 CG LYS A 35 4.699 -2.170 10.146 1.00 0.00 C ATOM 538 CD LYS A 35 5.679 -2.154 11.291 1.00 0.00 C ATOM 539 CE LYS A 35 5.087 -1.792 12.662 1.00 0.00 C ATOM 540 NZ LYS A 35 5.710 -0.610 13.259 1.00 0.00 N ATOM 0 H LYS A 35 4.819 -4.953 7.045 1.00 0.00 H new ATOM 0 HA LYS A 35 3.035 -3.981 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.569 -3.991 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.671 -2.612 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.617 -1.156 9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.720 -2.439 10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.143 -3.138 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.472 -1.444 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.017 -1.617 12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.205 -2.639 13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.975 -0.817 14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.561 -0.355 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.038 0.183 13.241 1.00 0.00 H new ATOM 554 N GLU A 36 2.628 -2.693 6.363 1.00 0.00 N ATOM 555 CA GLU A 36 1.935 -1.835 5.466 1.00 0.00 C ATOM 556 C GLU A 36 0.944 -0.946 6.261 1.00 0.00 C ATOM 557 O GLU A 36 -0.134 -1.437 6.586 1.00 0.00 O ATOM 558 CB GLU A 36 1.085 -2.774 4.584 1.00 0.00 C ATOM 559 CG GLU A 36 -0.100 -2.070 3.866 1.00 0.00 C ATOM 560 CD GLU A 36 0.195 -2.197 2.379 1.00 0.00 C ATOM 561 OE1 GLU A 36 -0.227 -3.205 1.831 1.00 0.00 O ATOM 562 OE2 GLU A 36 0.825 -1.290 1.830 1.00 0.00 O ATOM 0 H GLU A 36 2.797 -3.612 5.954 1.00 0.00 H new ATOM 0 HA GLU A 36 2.626 -1.207 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.729 -3.233 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.693 -3.581 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.049 -2.542 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.174 -1.024 4.164 1.00 0.00 H new ATOM 569 N SER A 37 1.396 0.278 6.502 1.00 0.00 N ATOM 570 CA SER A 37 0.507 1.158 7.251 1.00 0.00 C ATOM 571 C SER A 37 -0.072 2.220 6.332 1.00 0.00 C ATOM 572 O SER A 37 0.441 2.417 5.223 1.00 0.00 O ATOM 573 CB SER A 37 1.292 1.725 8.437 1.00 0.00 C ATOM 574 OG SER A 37 0.779 3.006 8.736 1.00 0.00 O ATOM 0 H SER A 37 2.297 0.663 6.218 1.00 0.00 H new ATOM 0 HA SER A 37 -0.352 0.618 7.650 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.201 1.068 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.353 1.788 8.195 1.00 0.00 H new ATOM 0 HG SER A 37 1.269 3.385 9.495 1.00 0.00 H new ATOM 580 N SER A 38 -1.145 2.879 6.823 1.00 0.00 N ATOM 581 CA SER A 38 -1.773 3.914 6.022 1.00 0.00 C ATOM 582 C SER A 38 -2.173 5.118 6.837 1.00 0.00 C ATOM 583 O SER A 38 -1.837 5.266 8.020 1.00 0.00 O ATOM 584 CB SER A 38 -2.992 3.227 5.349 1.00 0.00 C ATOM 585 OG SER A 38 -2.761 1.872 5.127 1.00 0.00 O ATOM 0 H SER A 38 -1.570 2.712 7.735 1.00 0.00 H new ATOM 0 HA SER A 38 -1.080 4.315 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.872 3.348 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.210 3.719 4.401 1.00 0.00 H new ATOM 0 HG SER A 38 -3.549 1.471 4.704 1.00 0.00 H new ATOM 591 N ASN A 39 -2.934 6.035 6.168 1.00 0.00 N ATOM 592 CA ASN A 39 -3.387 7.250 6.861 1.00 0.00 C ATOM 593 C ASN A 39 -4.545 6.887 7.797 1.00 0.00 C ATOM 594 O ASN A 39 -5.013 7.682 8.596 1.00 0.00 O ATOM 595 CB ASN A 39 -3.783 8.257 5.802 1.00 0.00 C ATOM 596 CG ASN A 39 -2.658 9.275 5.592 1.00 0.00 C ATOM 597 OD1 ASN A 39 -2.488 10.228 6.340 1.00 0.00 O ATOM 598 ND2 ASN A 39 -1.912 8.995 4.511 1.00 0.00 N ATOM 0 H ASN A 39 -3.228 5.952 5.195 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.604 7.690 7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.999 7.744 4.865 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.697 8.771 6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.131 9.601 4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.126 8.176 3.942 1.00 0.00 H new ATOM 605 N PHE A 40 -4.937 5.625 7.612 1.00 0.00 N ATOM 606 CA PHE A 40 -6.014 5.151 8.425 1.00 0.00 C ATOM 607 C PHE A 40 -5.493 4.739 9.825 1.00 0.00 C ATOM 608 O PHE A 40 -5.788 5.469 10.752 1.00 0.00 O ATOM 609 CB PHE A 40 -6.638 3.902 7.792 1.00 0.00 C ATOM 610 CG PHE A 40 -7.612 4.250 6.717 1.00 0.00 C ATOM 611 CD1 PHE A 40 -8.925 4.564 7.001 1.00 0.00 C ATOM 612 CD2 PHE A 40 -7.297 4.289 5.392 1.00 0.00 C ATOM 613 CE1 PHE A 40 -9.797 4.884 5.983 1.00 0.00 C ATOM 614 CE2 PHE A 40 -8.236 4.616 4.436 1.00 0.00 C ATOM 615 CZ PHE A 40 -9.386 4.892 4.677 1.00 0.00 C ATOM 0 H PHE A 40 -4.543 4.962 6.945 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.746 5.955 8.509 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.850 3.273 7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.141 3.318 8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.271 4.559 8.024 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.288 4.058 5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.821 5.132 6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.921 4.626 3.403 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.074 5.139 3.882 1.00 0.00 H new ATOM 625 N ARG A 41 -4.780 3.614 9.770 1.00 0.00 N ATOM 626 CA ARG A 41 -4.162 2.978 10.896 1.00 0.00 C ATOM 627 C ARG A 41 -2.910 2.204 10.511 1.00 0.00 C ATOM 628 O ARG A 41 -2.509 2.338 9.348 1.00 0.00 O ATOM 629 CB ARG A 41 -5.085 1.944 11.563 1.00 0.00 C ATOM 630 CG ARG A 41 -6.525 2.386 11.810 1.00 0.00 C ATOM 631 CD ARG A 41 -7.531 1.936 10.740 1.00 0.00 C ATOM 632 NE ARG A 41 -8.567 1.212 11.476 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.337 0.047 12.093 1.00 0.00 C ATOM 634 NH1 ARG A 41 -7.202 -0.616 12.139 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.365 -0.509 12.731 1.00 0.00 N ATOM 0 H ARG A 41 -4.620 3.113 8.896 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.929 3.801 11.572 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.103 1.049 10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.646 1.659 12.519 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.848 2.000 12.777 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.550 3.474 11.877 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.949 2.790 10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.056 1.297 9.995 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.504 1.612 11.521 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.376 -0.246 11.670 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.148 -1.500 12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.274 -0.047 12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.243 -1.397 13.218 1.00 0.00 H new ATOM 649 N ASN A 42 -2.362 1.457 11.455 1.00 0.00 N ATOM 650 CA ASN A 42 -1.178 0.753 11.025 1.00 0.00 C ATOM 651 C ASN A 42 -1.717 -0.382 10.120 1.00 0.00 C ATOM 652 O ASN A 42 -0.982 -0.867 9.279 1.00 0.00 O ATOM 653 CB ASN A 42 -0.355 0.121 12.144 1.00 0.00 C ATOM 654 CG ASN A 42 -0.669 0.653 13.544 1.00 0.00 C ATOM 655 OD1 ASN A 42 -1.803 0.869 13.977 1.00 0.00 O ATOM 656 ND2 ASN A 42 0.502 0.842 14.185 1.00 0.00 N ATOM 0 H ASN A 42 -2.675 1.330 12.417 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.502 1.461 10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.519 -0.957 12.134 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.702 0.284 11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.509 1.203 15.139 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.381 0.624 13.716 1.00 0.00 H new ATOM 663 N ILE A 43 -2.968 -0.618 10.460 1.00 0.00 N ATOM 664 CA ILE A 43 -3.781 -1.631 9.794 1.00 0.00 C ATOM 665 C ILE A 43 -2.920 -2.730 9.257 1.00 0.00 C ATOM 666 O ILE A 43 -2.540 -2.868 8.102 1.00 0.00 O ATOM 667 CB ILE A 43 -4.603 -0.821 8.764 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.588 -1.726 8.042 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.665 -0.321 7.659 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.808 -2.241 8.837 1.00 0.00 C ATOM 0 H ILE A 43 -3.454 -0.117 11.204 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.465 -2.180 10.441 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.105 -0.017 9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.959 -1.188 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.039 -2.592 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.236 0.251 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.895 0.315 8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.196 -1.173 7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.421 -2.873 8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.465 -2.819 9.695 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.400 -1.394 9.184 1.00 0.00 H new ATOM 682 N ASP A 44 -2.599 -3.583 10.251 1.00 0.00 N ATOM 683 CA ASP A 44 -1.755 -4.712 9.923 1.00 0.00 C ATOM 684 C ASP A 44 -2.649 -5.702 9.210 1.00 0.00 C ATOM 685 O ASP A 44 -3.639 -6.133 9.815 1.00 0.00 O ATOM 686 CB ASP A 44 -1.184 -5.319 11.201 1.00 0.00 C ATOM 687 CG ASP A 44 -0.146 -4.380 11.816 1.00 0.00 C ATOM 688 OD1 ASP A 44 -0.108 -3.201 11.464 1.00 0.00 O ATOM 689 OD2 ASP A 44 0.647 -4.796 12.660 1.00 0.00 O ATOM 0 H ASP A 44 -2.897 -3.509 11.224 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.910 -4.424 9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.987 -5.502 11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.727 -6.284 10.981 1.00 0.00 H new ATOM 694 N VAL A 45 -2.181 -5.932 8.002 1.00 0.00 N ATOM 695 CA VAL A 45 -2.912 -6.879 7.146 1.00 0.00 C ATOM 696 C VAL A 45 -2.233 -8.215 7.462 1.00 0.00 C ATOM 697 O VAL A 45 -1.187 -8.485 6.891 1.00 0.00 O ATOM 698 CB VAL A 45 -2.934 -6.491 5.705 1.00 0.00 C ATOM 699 CG1 VAL A 45 -3.635 -7.561 4.822 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.867 -5.274 5.521 1.00 0.00 C ATOM 0 H VAL A 45 -1.346 -5.510 7.595 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.982 -6.915 7.351 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.893 -6.330 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.627 -7.236 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.105 -8.509 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.665 -7.689 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.887 -4.986 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.874 -5.536 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.499 -4.440 6.119 1.00 0.00 H new ATOM 710 N VAL A 46 -2.912 -8.931 8.357 1.00 0.00 N ATOM 711 CA VAL A 46 -2.293 -10.203 8.678 1.00 0.00 C ATOM 712 C VAL A 46 -2.884 -11.399 7.979 1.00 0.00 C ATOM 713 O VAL A 46 -4.018 -11.268 7.562 1.00 0.00 O ATOM 714 CB VAL A 46 -2.627 -10.305 10.187 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.104 -10.561 10.462 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.006 -11.488 10.940 1.00 0.00 C ATOM 0 H VAL A 46 -3.787 -8.689 8.823 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.243 -10.220 8.385 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.242 -9.341 10.521 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.269 -10.621 11.538 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.698 -9.745 10.049 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.404 -11.500 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.311 -11.454 11.986 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.346 -12.422 10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.919 -11.430 10.876 1.00 0.00 H new ATOM 726 N PHE A 47 -2.060 -12.467 7.909 1.00 0.00 N ATOM 727 CA PHE A 47 -2.599 -13.621 7.238 1.00 0.00 C ATOM 728 C PHE A 47 -1.624 -14.781 7.229 1.00 0.00 C ATOM 729 O PHE A 47 -0.725 -14.729 8.071 1.00 0.00 O ATOM 730 CB PHE A 47 -2.900 -13.255 5.767 1.00 0.00 C ATOM 731 CG PHE A 47 -1.940 -12.150 5.334 1.00 0.00 C ATOM 732 CD1 PHE A 47 -0.602 -12.441 5.502 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.209 -10.930 4.813 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.345 -11.519 5.151 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.196 -10.047 4.482 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.021 -10.299 4.627 1.00 0.00 C ATOM 0 H PHE A 47 -1.111 -12.539 8.277 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.499 -13.919 7.776 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.783 -14.130 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.932 -12.921 5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.303 -13.395 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.237 -10.639 4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.391 -11.750 5.286 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.468 -9.085 4.074 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.731 -9.576 4.349 1.00 0.00 H new ATOM 746 N GLU A 48 -1.766 -15.778 6.344 1.00 0.00 N ATOM 747 CA GLU A 48 -0.807 -16.851 6.372 1.00 0.00 C ATOM 748 C GLU A 48 -0.463 -17.363 4.962 1.00 0.00 C ATOM 749 O GLU A 48 -0.710 -18.508 4.627 1.00 0.00 O ATOM 750 CB GLU A 48 -1.594 -17.972 7.103 1.00 0.00 C ATOM 751 CG GLU A 48 -1.628 -17.819 8.610 1.00 0.00 C ATOM 752 CD GLU A 48 -2.661 -18.720 9.281 1.00 0.00 C ATOM 753 OE1 GLU A 48 -2.381 -19.925 9.292 1.00 0.00 O ATOM 754 OE2 GLU A 48 -3.710 -18.342 9.796 1.00 0.00 O ATOM 0 H GLU A 48 -2.501 -15.851 5.640 1.00 0.00 H new ATOM 0 HA GLU A 48 0.133 -16.545 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.617 -17.988 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.148 -18.935 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.641 -18.044 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.845 -16.780 8.859 1.00 0.00 H new ATOM 761 N LEU A 49 0.108 -16.412 4.251 1.00 0.00 N ATOM 762 CA LEU A 49 0.537 -16.595 2.872 1.00 0.00 C ATOM 763 C LEU A 49 -0.533 -17.097 1.945 1.00 0.00 C ATOM 764 O LEU A 49 -1.200 -16.410 1.212 1.00 0.00 O ATOM 765 CB LEU A 49 1.761 -17.545 3.010 1.00 0.00 C ATOM 766 CG LEU A 49 2.871 -16.818 3.740 1.00 0.00 C ATOM 767 CD1 LEU A 49 3.884 -17.769 4.445 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.771 -15.876 2.931 1.00 0.00 C ATOM 0 H LEU A 49 0.291 -15.477 4.616 1.00 0.00 H new ATOM 0 HA LEU A 49 0.791 -15.651 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.479 -18.446 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.103 -17.863 2.025 1.00 0.00 H new ATOM 0 HG LEU A 49 2.253 -16.234 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.650 -17.177 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.359 -18.380 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.353 -18.416 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.516 -15.430 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.273 -16.439 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.165 -15.088 2.484 1.00 0.00 H new ATOM 780 N GLY A 50 -0.703 -18.411 1.983 1.00 0.00 N ATOM 781 CA GLY A 50 -1.725 -19.003 1.107 1.00 0.00 C ATOM 782 C GLY A 50 -2.967 -19.088 2.025 1.00 0.00 C ATOM 783 O GLY A 50 -3.181 -20.140 2.554 1.00 0.00 O ATOM 0 H GLY A 50 -0.184 -19.063 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.913 -18.383 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.424 -19.986 0.743 1.00 0.00 H new ATOM 787 N VAL A 51 -3.594 -17.918 2.059 1.00 0.00 N ATOM 788 CA VAL A 51 -4.781 -17.630 2.802 1.00 0.00 C ATOM 789 C VAL A 51 -5.593 -16.503 2.201 1.00 0.00 C ATOM 790 O VAL A 51 -5.148 -15.370 2.232 1.00 0.00 O ATOM 791 CB VAL A 51 -4.524 -17.403 4.310 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.213 -16.204 4.898 1.00 0.00 C ATOM 793 CG2 VAL A 51 -5.129 -18.543 5.167 1.00 0.00 C ATOM 0 H VAL A 51 -3.257 -17.111 1.535 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.384 -18.535 2.726 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.438 -17.312 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.972 -16.129 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.876 -15.303 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.291 -16.309 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.929 -18.351 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.206 -18.589 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.678 -19.493 4.880 1.00 0.00 H new ATOM 803 N ASP A 52 -6.772 -16.956 1.683 1.00 0.00 N ATOM 804 CA ASP A 52 -7.625 -15.942 1.081 1.00 0.00 C ATOM 805 C ASP A 52 -8.577 -15.444 2.190 1.00 0.00 C ATOM 806 O ASP A 52 -8.737 -16.084 3.213 1.00 0.00 O ATOM 807 CB ASP A 52 -8.344 -16.487 -0.148 1.00 0.00 C ATOM 808 CG ASP A 52 -9.484 -15.571 -0.587 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.224 -14.606 -1.281 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.611 -15.863 -0.212 1.00 0.00 O ATOM 0 H ASP A 52 -7.111 -17.918 1.675 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.046 -15.098 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.632 -16.600 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.738 -17.479 0.071 1.00 0.00 H new ATOM 815 N PHE A 53 -9.179 -14.257 1.878 1.00 0.00 N ATOM 816 CA PHE A 53 -10.062 -13.773 2.885 1.00 0.00 C ATOM 817 C PHE A 53 -10.878 -12.540 2.527 1.00 0.00 C ATOM 818 O PHE A 53 -10.371 -11.677 1.839 1.00 0.00 O ATOM 819 CB PHE A 53 -9.276 -13.368 4.147 1.00 0.00 C ATOM 820 CG PHE A 53 -8.116 -12.425 3.840 1.00 0.00 C ATOM 821 CD1 PHE A 53 -8.305 -11.067 3.650 1.00 0.00 C ATOM 822 CD2 PHE A 53 -6.826 -12.857 3.727 1.00 0.00 C ATOM 823 CE1 PHE A 53 -7.240 -10.238 3.375 1.00 0.00 C ATOM 824 CE2 PHE A 53 -5.786 -11.986 3.446 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.094 -10.650 3.278 1.00 0.00 C ATOM 0 H PHE A 53 -9.067 -13.701 1.030 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.742 -14.613 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.953 -12.887 4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.891 -14.264 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -9.300 -10.652 3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.610 -13.907 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.425 -9.183 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.769 -12.340 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.301 -9.951 3.055 1.00 0.00 H new ATOM 835 N ALA A 54 -12.134 -12.438 2.978 1.00 0.00 N ATOM 836 CA ALA A 54 -12.941 -11.273 2.660 1.00 0.00 C ATOM 837 C ALA A 54 -12.815 -10.392 3.924 1.00 0.00 C ATOM 838 O ALA A 54 -13.649 -10.603 4.790 1.00 0.00 O ATOM 839 CB ALA A 54 -14.385 -11.666 2.358 1.00 0.00 C ATOM 0 H ALA A 54 -12.600 -13.139 3.554 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.611 -10.749 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.964 -10.773 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.407 -12.346 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.817 -12.160 3.228 1.00 0.00 H new ATOM 845 N TYR A 55 -11.820 -9.526 3.893 1.00 0.00 N ATOM 846 CA TYR A 55 -11.679 -8.677 5.077 1.00 0.00 C ATOM 847 C TYR A 55 -12.138 -7.250 4.835 1.00 0.00 C ATOM 848 O TYR A 55 -11.997 -6.757 3.741 1.00 0.00 O ATOM 849 CB TYR A 55 -10.242 -8.765 5.617 1.00 0.00 C ATOM 850 CG TYR A 55 -10.154 -8.608 7.116 1.00 0.00 C ATOM 851 CD1 TYR A 55 -10.503 -9.679 7.923 1.00 0.00 C ATOM 852 CD2 TYR A 55 -9.755 -7.487 7.775 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.421 -9.517 9.283 1.00 0.00 C ATOM 854 CE2 TYR A 55 -9.706 -7.433 9.167 1.00 0.00 C ATOM 855 CZ TYR A 55 -10.008 -8.358 9.886 1.00 0.00 C ATOM 856 OH TYR A 55 -9.949 -8.248 11.236 1.00 0.00 O ATOM 0 H TYR A 55 -11.148 -9.390 3.138 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.349 -9.055 5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.814 -9.727 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.635 -7.994 5.142 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.830 -10.614 7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.469 -6.616 7.205 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.697 -10.349 9.913 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.380 -6.513 9.630 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.632 -7.353 11.478 1.00 0.00 H new ATOM 866 N SER A 56 -12.660 -6.696 5.924 1.00 0.00 N ATOM 867 CA SER A 56 -13.129 -5.317 5.786 1.00 0.00 C ATOM 868 C SER A 56 -12.106 -4.503 6.609 1.00 0.00 C ATOM 869 O SER A 56 -12.344 -4.384 7.815 1.00 0.00 O ATOM 870 CB SER A 56 -14.554 -5.286 6.331 1.00 0.00 C ATOM 871 OG SER A 56 -14.822 -4.248 7.239 1.00 0.00 O ATOM 0 H SER A 56 -12.766 -7.132 6.840 1.00 0.00 H new ATOM 0 HA SER A 56 -13.179 -4.911 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.245 -5.202 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.760 -6.238 6.820 1.00 0.00 H new ATOM 0 HG SER A 56 -14.132 -4.236 7.935 1.00 0.00 H new ATOM 877 N LEU A 57 -11.093 -4.037 5.868 1.00 0.00 N ATOM 878 CA LEU A 57 -9.990 -3.242 6.404 1.00 0.00 C ATOM 879 C LEU A 57 -10.537 -2.121 7.298 1.00 0.00 C ATOM 880 O LEU A 57 -10.631 -2.292 8.510 1.00 0.00 O ATOM 881 CB LEU A 57 -9.101 -2.774 5.256 1.00 0.00 C ATOM 882 CG LEU A 57 -7.600 -2.930 5.532 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.271 -4.433 5.577 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.736 -2.356 4.442 1.00 0.00 C ATOM 0 H LEU A 57 -11.019 -4.206 4.865 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.350 -3.839 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.356 -3.337 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.315 -1.726 5.047 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.397 -2.404 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.207 -4.567 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.848 -4.908 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.524 -4.890 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.686 -2.498 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.953 -2.862 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.943 -1.291 4.337 1.00 0.00 H new ATOM 896 N ALA A 58 -10.871 -1.022 6.648 1.00 0.00 N ATOM 897 CA ALA A 58 -11.402 0.084 7.447 1.00 0.00 C ATOM 898 C ALA A 58 -12.862 -0.187 7.795 1.00 0.00 C ATOM 899 O ALA A 58 -13.185 -1.328 8.184 1.00 0.00 O ATOM 900 CB ALA A 58 -11.275 1.365 6.635 1.00 0.00 C ATOM 0 H ALA A 58 -10.796 -0.866 5.643 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.843 0.184 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.666 2.202 7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.226 1.544 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.842 1.267 5.710 1.00 0.00 H new ATOM 906 N ASP A 59 -13.760 0.805 7.681 1.00 0.00 N ATOM 907 CA ASP A 59 -15.157 0.542 8.017 1.00 0.00 C ATOM 908 C ASP A 59 -15.750 -0.426 7.004 1.00 0.00 C ATOM 909 O ASP A 59 -16.534 -1.272 7.367 1.00 0.00 O ATOM 910 CB ASP A 59 -16.005 1.813 8.006 1.00 0.00 C ATOM 911 CG ASP A 59 -17.301 1.681 8.799 1.00 0.00 C ATOM 912 OD1 ASP A 59 -18.169 0.970 8.303 1.00 0.00 O ATOM 913 OD2 ASP A 59 -17.449 2.256 9.859 1.00 0.00 O ATOM 0 H ASP A 59 -13.552 1.755 7.372 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.170 0.123 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.419 2.636 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.243 2.074 6.975 1.00 0.00 H new ATOM 918 N GLY A 60 -15.318 -0.248 5.733 1.00 0.00 N ATOM 919 CA GLY A 60 -15.783 -1.095 4.651 1.00 0.00 C ATOM 920 C GLY A 60 -14.535 -1.823 4.105 1.00 0.00 C ATOM 921 O GLY A 60 -14.317 -2.968 4.490 1.00 0.00 O ATOM 0 H GLY A 60 -14.654 0.473 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.525 -1.809 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.260 -0.502 3.871 1.00 0.00 H new ATOM 925 N THR A 61 -13.872 -1.049 3.268 1.00 0.00 N ATOM 926 CA THR A 61 -12.657 -1.438 2.584 1.00 0.00 C ATOM 927 C THR A 61 -12.631 -2.925 2.179 1.00 0.00 C ATOM 928 O THR A 61 -11.987 -3.760 2.824 1.00 0.00 O ATOM 929 CB THR A 61 -11.412 -1.058 3.388 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.546 0.126 4.092 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.147 -1.069 2.492 1.00 0.00 C ATOM 0 H THR A 61 -14.175 -0.102 3.039 1.00 0.00 H new ATOM 0 HA THR A 61 -12.646 -0.871 1.653 1.00 0.00 H new ATOM 0 HB THR A 61 -11.291 -1.827 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.709 0.633 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.276 -0.795 3.088 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.004 -2.067 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.270 -0.353 1.680 1.00 0.00 H new ATOM 939 N GLU A 62 -13.345 -3.236 1.099 1.00 0.00 N ATOM 940 CA GLU A 62 -13.317 -4.655 0.714 1.00 0.00 C ATOM 941 C GLU A 62 -12.014 -4.809 -0.073 1.00 0.00 C ATOM 942 O GLU A 62 -11.650 -3.942 -0.849 1.00 0.00 O ATOM 943 CB GLU A 62 -14.534 -4.875 -0.156 1.00 0.00 C ATOM 944 CG GLU A 62 -15.345 -6.128 0.223 1.00 0.00 C ATOM 945 CD GLU A 62 -14.444 -7.347 -0.034 1.00 0.00 C ATOM 946 OE1 GLU A 62 -13.614 -7.278 -0.939 1.00 0.00 O ATOM 947 OE2 GLU A 62 -14.595 -8.335 0.684 1.00 0.00 O ATOM 0 H GLU A 62 -13.899 -2.603 0.522 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.345 -5.369 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.181 -4.000 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.217 -4.959 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.649 -6.088 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.256 -6.191 -0.372 1.00 0.00 H new ATOM 954 N LEU A 63 -11.420 -5.969 0.243 1.00 0.00 N ATOM 955 CA LEU A 63 -10.169 -6.298 -0.392 1.00 0.00 C ATOM 956 C LEU A 63 -9.925 -7.817 -0.415 1.00 0.00 C ATOM 957 O LEU A 63 -8.870 -8.329 -0.140 1.00 0.00 O ATOM 958 CB LEU A 63 -9.074 -5.558 0.391 1.00 0.00 C ATOM 959 CG LEU A 63 -8.425 -4.398 -0.362 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.131 -3.074 -0.102 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.985 -4.186 0.117 1.00 0.00 C ATOM 0 H LEU A 63 -11.778 -6.657 0.906 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.173 -5.988 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.503 -5.177 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.299 -6.272 0.669 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.480 -4.667 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.633 -2.280 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.170 -3.146 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.096 -2.846 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.538 -3.356 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.986 -3.959 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.405 -5.092 -0.061 1.00 0.00 H new ATOM 973 N THR A 64 -11.019 -8.490 -0.769 1.00 0.00 N ATOM 974 CA THR A 64 -11.142 -9.907 -0.893 1.00 0.00 C ATOM 975 C THR A 64 -9.897 -10.472 -1.607 1.00 0.00 C ATOM 976 O THR A 64 -9.763 -10.293 -2.809 1.00 0.00 O ATOM 977 CB THR A 64 -12.364 -10.256 -1.757 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.561 -9.814 -1.194 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.437 -11.745 -1.964 1.00 0.00 C ATOM 0 H THR A 64 -11.892 -8.009 -0.987 1.00 0.00 H new ATOM 0 HA THR A 64 -11.246 -10.332 0.105 1.00 0.00 H new ATOM 0 HB THR A 64 -12.236 -9.744 -2.710 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.402 -9.528 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.306 -11.985 -2.577 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.532 -12.087 -2.466 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.526 -12.243 -0.998 1.00 0.00 H new ATOM 987 N GLY A 65 -9.059 -11.126 -0.829 1.00 0.00 N ATOM 988 CA GLY A 65 -7.902 -11.632 -1.598 1.00 0.00 C ATOM 989 C GLY A 65 -7.076 -12.508 -0.660 1.00 0.00 C ATOM 990 O GLY A 65 -7.584 -12.930 0.358 1.00 0.00 O ATOM 0 H GLY A 65 -9.114 -11.310 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.237 -12.205 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.302 -10.805 -1.977 1.00 0.00 H new ATOM 994 N THR A 66 -5.843 -12.689 -1.128 1.00 0.00 N ATOM 995 CA THR A 66 -4.808 -13.460 -0.485 1.00 0.00 C ATOM 996 C THR A 66 -3.384 -13.083 -0.811 1.00 0.00 C ATOM 997 O THR A 66 -3.123 -12.746 -1.983 1.00 0.00 O ATOM 998 CB THR A 66 -5.074 -14.902 -1.000 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.317 -15.736 -0.193 1.00 0.00 O ATOM 1000 CG2 THR A 66 -4.632 -14.978 -2.468 1.00 0.00 C ATOM 0 H THR A 66 -5.534 -12.278 -2.009 1.00 0.00 H new ATOM 0 HA THR A 66 -4.868 -13.305 0.592 1.00 0.00 H new ATOM 0 HB THR A 66 -6.124 -15.191 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.303 -15.383 0.721 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.810 -15.983 -2.850 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.202 -14.260 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.570 -14.745 -2.541 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.422 -13.103 0.107 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.048 -12.734 -0.276 1.00 0.00 C ATOM 1010 C TRP A 67 -0.231 -14.011 0.112 1.00 0.00 C ATOM 1011 O TRP A 67 0.072 -14.043 1.269 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.485 -11.520 0.406 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.281 -10.324 -0.097 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -1.711 -9.314 0.770 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.727 -10.009 -1.440 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.348 -8.510 -0.031 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.437 -8.811 -1.372 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.628 -10.580 -2.670 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -3.014 -8.261 -2.463 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -2.209 -10.028 -3.770 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.919 -8.867 -3.682 1.00 0.00 C ATOM 0 H TRP A 67 -2.551 -13.359 1.086 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.009 -12.452 -1.328 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.568 -11.612 1.489 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.574 -11.404 0.176 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.554 -9.224 1.835 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.780 -7.660 0.333 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.072 -11.499 -2.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.556 -7.332 -2.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.106 -10.517 -4.727 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.393 -8.439 -4.553 1.00 0.00 H new ATOM 1032 N THR A 68 -0.093 -14.738 -0.981 1.00 0.00 N ATOM 1033 CA THR A 68 0.591 -15.999 -1.078 1.00 0.00 C ATOM 1034 C THR A 68 1.966 -15.927 -1.778 1.00 0.00 C ATOM 1035 O THR A 68 2.077 -16.332 -2.925 1.00 0.00 O ATOM 1036 CB THR A 68 -0.221 -17.038 -1.822 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.481 -18.202 -2.237 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.049 -16.525 -3.030 1.00 0.00 C ATOM 0 H THR A 68 -0.482 -14.439 -1.875 1.00 0.00 H new ATOM 0 HA THR A 68 0.736 -16.281 -0.035 1.00 0.00 H new ATOM 0 HB THR A 68 -0.908 -17.312 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.139 -17.960 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.587 -17.358 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.762 -15.774 -2.690 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.380 -16.082 -3.768 1.00 0.00 H new ATOM 1046 N MET A 69 2.825 -15.389 -0.921 1.00 0.00 N ATOM 1047 CA MET A 69 4.224 -15.147 -1.188 1.00 0.00 C ATOM 1048 C MET A 69 4.708 -16.462 -1.830 1.00 0.00 C ATOM 1049 O MET A 69 4.960 -17.412 -1.114 1.00 0.00 O ATOM 1050 CB MET A 69 4.950 -15.045 0.163 1.00 0.00 C ATOM 1051 CG MET A 69 6.475 -14.900 0.004 1.00 0.00 C ATOM 1052 SD MET A 69 7.292 -15.413 1.513 1.00 0.00 S ATOM 1053 CE MET A 69 7.260 -17.204 1.298 1.00 0.00 C ATOM 0 H MET A 69 2.547 -15.100 0.017 1.00 0.00 H new ATOM 0 HA MET A 69 4.394 -14.256 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.563 -14.189 0.716 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.733 -15.933 0.756 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.822 -15.506 -0.833 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.730 -13.865 -0.225 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.911 -17.671 2.037 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.241 -17.568 1.431 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.608 -17.456 0.296 1.00 0.00 H new ATOM 1063 N GLU A 70 4.762 -16.300 -3.155 1.00 0.00 N ATOM 1064 CA GLU A 70 5.205 -17.466 -3.933 1.00 0.00 C ATOM 1065 C GLU A 70 6.606 -17.754 -3.436 1.00 0.00 C ATOM 1066 O GLU A 70 6.951 -18.882 -3.162 1.00 0.00 O ATOM 1067 CB GLU A 70 5.204 -17.085 -5.421 1.00 0.00 C ATOM 1068 CG GLU A 70 5.433 -18.204 -6.432 1.00 0.00 C ATOM 1069 CD GLU A 70 5.862 -19.504 -5.740 1.00 0.00 C ATOM 1070 OE1 GLU A 70 5.086 -20.086 -4.968 1.00 0.00 O ATOM 1071 OE2 GLU A 70 6.994 -19.940 -5.973 1.00 0.00 O ATOM 0 H GLU A 70 4.529 -15.456 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 70 4.565 -18.341 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.246 -16.617 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.973 -16.329 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.518 -18.377 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.199 -17.900 -7.146 1.00 0.00 H new ATOM 1078 N GLY A 71 7.341 -16.634 -3.364 1.00 0.00 N ATOM 1079 CA GLY A 71 8.697 -16.713 -2.913 1.00 0.00 C ATOM 1080 C GLY A 71 9.140 -15.246 -2.689 1.00 0.00 C ATOM 1081 O GLY A 71 9.209 -14.765 -1.561 1.00 0.00 O ATOM 0 H GLY A 71 7.013 -15.700 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.772 -17.291 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.329 -17.206 -3.652 1.00 0.00 H new ATOM 1085 N ASN A 72 9.403 -14.654 -3.855 1.00 0.00 N ATOM 1086 CA ASN A 72 9.844 -13.264 -3.879 1.00 0.00 C ATOM 1087 C ASN A 72 8.754 -12.436 -4.569 1.00 0.00 C ATOM 1088 O ASN A 72 9.036 -11.277 -4.849 1.00 0.00 O ATOM 1089 CB ASN A 72 11.147 -13.187 -4.652 1.00 0.00 C ATOM 1090 CG ASN A 72 10.961 -13.801 -6.044 1.00 0.00 C ATOM 1091 OD1 ASN A 72 10.174 -13.310 -6.835 1.00 0.00 O ATOM 1092 ND2 ASN A 72 11.701 -14.869 -6.292 1.00 0.00 N ATOM 0 H ASN A 72 9.321 -15.101 -4.768 1.00 0.00 H new ATOM 0 HA ASN A 72 10.009 -12.878 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.466 -12.149 -4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.932 -13.717 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.633 -15.338 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.339 -15.224 -5.580 1.00 0.00 H new ATOM 1099 N LYS A 73 7.600 -13.106 -4.786 1.00 0.00 N ATOM 1100 CA LYS A 73 6.501 -12.416 -5.438 1.00 0.00 C ATOM 1101 C LYS A 73 5.447 -12.086 -4.382 1.00 0.00 C ATOM 1102 O LYS A 73 5.692 -12.420 -3.216 1.00 0.00 O ATOM 1103 CB LYS A 73 5.968 -13.139 -6.652 1.00 0.00 C ATOM 1104 CG LYS A 73 6.797 -13.088 -7.934 1.00 0.00 C ATOM 1105 CD LYS A 73 5.950 -12.758 -9.147 1.00 0.00 C ATOM 1106 CE LYS A 73 6.407 -11.443 -9.790 1.00 0.00 C ATOM 1107 NZ LYS A 73 6.184 -11.433 -11.231 1.00 0.00 N ATOM 0 H LYS A 73 7.423 -14.077 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 73 6.863 -11.481 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.830 -14.187 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.981 -12.735 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.584 -12.341 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.289 -14.049 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.018 -13.567 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.903 -12.680 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.870 -10.611 -9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.467 -11.289 -9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.507 -10.527 -11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.716 -12.211 -11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.170 -11.554 -11.426 1.00 0.00 H new ATOM 1121 N LEU A 74 4.362 -11.470 -4.819 1.00 0.00 N ATOM 1122 CA LEU A 74 3.334 -11.137 -3.829 1.00 0.00 C ATOM 1123 C LEU A 74 1.956 -11.066 -4.423 1.00 0.00 C ATOM 1124 O LEU A 74 1.158 -10.187 -4.149 1.00 0.00 O ATOM 1125 CB LEU A 74 3.814 -9.907 -3.025 1.00 0.00 C ATOM 1126 CG LEU A 74 4.101 -10.328 -1.564 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.857 -9.323 -0.694 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.846 -10.715 -0.785 1.00 0.00 C ATOM 0 H LEU A 74 4.169 -11.202 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 74 3.210 -11.944 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.714 -9.491 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.055 -9.125 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 74 4.752 -11.185 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.994 -9.737 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.831 -9.117 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.286 -8.397 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.121 -10.999 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.162 -9.867 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.357 -11.556 -1.277 1.00 0.00 H new ATOM 1140 N VAL A 75 1.812 -12.122 -5.271 1.00 0.00 N ATOM 1141 CA VAL A 75 0.663 -12.428 -6.040 1.00 0.00 C ATOM 1142 C VAL A 75 -0.584 -12.906 -5.290 1.00 0.00 C ATOM 1143 O VAL A 75 -0.548 -13.661 -4.348 1.00 0.00 O ATOM 1144 CB VAL A 75 1.075 -13.498 -7.083 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.045 -13.775 -8.160 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.255 -12.997 -7.921 1.00 0.00 C ATOM 0 H VAL A 75 2.563 -12.797 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 75 0.346 -11.480 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 75 1.259 -14.378 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.426 -14.537 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.877 -14.129 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.155 -12.859 -8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.534 -13.759 -8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.969 -12.084 -8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.103 -12.792 -7.268 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.626 -12.342 -5.866 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.960 -12.649 -5.320 1.00 0.00 C ATOM 1158 C GLY A 76 -3.848 -11.563 -5.972 1.00 0.00 C ATOM 1159 O GLY A 76 -3.606 -11.259 -7.108 1.00 0.00 O ATOM 0 H GLY A 76 -1.599 -11.706 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.286 -13.654 -5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.977 -12.587 -4.232 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.793 -11.125 -5.087 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.659 -10.114 -5.635 1.00 0.00 C ATOM 1165 C LYS A 77 -6.755 -9.718 -4.685 1.00 0.00 C ATOM 1166 O LYS A 77 -7.491 -10.535 -4.199 1.00 0.00 O ATOM 1167 CB LYS A 77 -6.385 -10.897 -6.770 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.726 -10.301 -7.090 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.422 -10.908 -8.292 1.00 0.00 C ATOM 1170 CE LYS A 77 -9.931 -10.620 -8.334 1.00 0.00 C ATOM 1171 NZ LYS A 77 -10.771 -11.818 -8.467 1.00 0.00 N ATOM 0 H LYS A 77 -4.944 -11.424 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.096 -9.221 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.764 -10.897 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.512 -11.937 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.373 -10.410 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.601 -9.232 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.961 -10.524 -9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.266 -11.987 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.214 -10.091 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.138 -9.951 -9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.773 -11.539 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.531 -12.314 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.604 -12.450 -7.658 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.704 -8.388 -4.519 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.686 -7.766 -3.601 1.00 0.00 C ATOM 1187 C PHE A 78 -8.366 -6.763 -4.499 1.00 0.00 C ATOM 1188 O PHE A 78 -7.955 -6.249 -5.507 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.962 -7.254 -2.374 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.208 -8.181 -1.503 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.504 -9.299 -1.824 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -6.143 -7.964 -0.113 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.846 -10.076 -0.874 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -5.468 -8.766 0.781 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.807 -9.864 0.302 1.00 0.00 C ATOM 0 H PHE A 78 -6.045 -7.754 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.446 -8.408 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.263 -6.488 -2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.703 -6.756 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.453 -9.597 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.662 -7.103 0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.323 -10.950 -1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.461 -8.533 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.266 -10.520 0.967 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.590 -6.512 -3.969 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.448 -5.588 -4.630 1.00 0.00 C ATOM 1207 C LYS A 79 -11.568 -5.023 -3.759 1.00 0.00 C ATOM 1208 O LYS A 79 -11.982 -5.727 -2.847 1.00 0.00 O ATOM 1209 CB LYS A 79 -11.098 -6.534 -5.691 1.00 0.00 C ATOM 1210 CG LYS A 79 -12.295 -5.925 -6.342 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.357 -5.888 -7.886 1.00 0.00 C ATOM 1212 CE LYS A 79 -11.311 -6.633 -8.680 1.00 0.00 C ATOM 1213 NZ LYS A 79 -11.763 -8.000 -9.051 1.00 0.00 N ATOM 0 H LYS A 79 -9.964 -6.934 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.906 -4.711 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.360 -6.781 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.386 -7.470 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.174 -6.463 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.382 -4.900 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.332 -6.272 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.319 -4.842 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.074 -6.072 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.393 -6.701 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.209 -8.340 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.626 -8.642 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.771 -7.975 -9.306 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.980 -3.793 -4.127 1.00 0.00 N ATOM 1228 CA ARG A 80 -13.046 -3.223 -3.346 1.00 0.00 C ATOM 1229 C ARG A 80 -14.357 -3.296 -4.180 1.00 0.00 C ATOM 1230 O ARG A 80 -14.584 -2.475 -5.042 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.795 -1.808 -2.834 1.00 0.00 C ATOM 1232 CG ARG A 80 -11.690 -1.112 -3.608 1.00 0.00 C ATOM 1233 CD ARG A 80 -11.124 0.041 -2.782 1.00 0.00 C ATOM 1234 NE ARG A 80 -11.842 1.240 -3.124 1.00 0.00 N ATOM 1235 CZ ARG A 80 -11.373 2.449 -2.846 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -10.214 2.615 -2.235 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -12.146 3.488 -3.223 1.00 0.00 N ATOM 0 H ARG A 80 -11.616 -3.231 -4.896 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.122 -3.817 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.714 -1.226 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.529 -1.846 -1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.899 -1.822 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.078 -0.736 -4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.224 -0.170 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.060 0.165 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.742 1.157 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.658 1.803 -1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.875 3.555 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.035 3.318 -3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.842 4.444 -3.038 1.00 0.00 H new ATOM 1251 N VAL A 81 -15.091 -4.353 -3.778 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.361 -4.733 -4.323 1.00 0.00 C ATOM 1253 C VAL A 81 -17.260 -3.509 -4.527 1.00 0.00 C ATOM 1254 O VAL A 81 -18.065 -3.611 -5.451 1.00 0.00 O ATOM 1255 CB VAL A 81 -17.033 -5.765 -3.419 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -18.313 -6.355 -4.015 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -16.181 -7.022 -3.116 1.00 0.00 C ATOM 0 H VAL A 81 -14.781 -4.976 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.197 -5.186 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.208 -5.170 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.737 -7.080 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.034 -5.557 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.081 -6.849 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.743 -7.695 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.942 -7.533 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.258 -6.725 -2.618 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.991 -2.551 -3.653 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.682 -1.262 -3.605 1.00 0.00 C ATOM 1269 C ASP A 82 -17.881 -0.853 -5.062 1.00 0.00 C ATOM 1270 O ASP A 82 -19.048 -0.631 -5.388 1.00 0.00 O ATOM 1271 CB ASP A 82 -16.796 -0.261 -2.850 1.00 0.00 C ATOM 1272 CG ASP A 82 -16.727 -0.549 -1.360 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -17.266 -1.562 -0.957 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -16.140 0.214 -0.594 1.00 0.00 O ATOM 0 H ASP A 82 -16.270 -2.646 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.641 -1.303 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.790 -0.285 -3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.181 0.747 -3.004 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.755 -0.789 -5.817 1.00 0.00 N ATOM 1280 CA ASN A 83 -16.967 -0.413 -7.173 1.00 0.00 C ATOM 1281 C ASN A 83 -16.456 -1.435 -8.169 1.00 0.00 C ATOM 1282 O ASN A 83 -16.471 -1.070 -9.356 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.116 0.871 -7.402 1.00 0.00 C ATOM 1284 CG ASN A 83 -16.763 1.993 -6.619 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -17.939 1.943 -6.271 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -15.919 3.003 -6.361 1.00 0.00 N ATOM 0 H ASN A 83 -15.797 -0.978 -5.521 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.039 -0.295 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.090 0.715 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -16.074 1.119 -8.463 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -16.241 3.815 -5.835 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.955 2.959 -6.691 1.00 0.00 H new ATOM 1293 N GLY A 84 -16.029 -2.628 -7.762 1.00 0.00 N ATOM 1294 CA GLY A 84 -15.545 -3.561 -8.802 1.00 0.00 C ATOM 1295 C GLY A 84 -14.296 -2.817 -9.340 1.00 0.00 C ATOM 1296 O GLY A 84 -14.167 -2.645 -10.522 1.00 0.00 O ATOM 0 H GLY A 84 -16.002 -2.964 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.293 -4.538 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.289 -3.727 -9.581 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.521 -2.469 -8.289 1.00 0.00 N ATOM 1301 CA LYS A 85 -12.302 -1.762 -8.397 1.00 0.00 C ATOM 1302 C LYS A 85 -11.018 -2.501 -8.721 1.00 0.00 C ATOM 1303 O LYS A 85 -10.527 -2.127 -9.787 1.00 0.00 O ATOM 1304 CB LYS A 85 -12.148 -1.151 -6.971 1.00 0.00 C ATOM 1305 CG LYS A 85 -10.737 -0.670 -6.715 1.00 0.00 C ATOM 1306 CD LYS A 85 -10.533 0.794 -7.160 1.00 0.00 C ATOM 1307 CE LYS A 85 -11.661 1.776 -7.014 1.00 0.00 C ATOM 1308 NZ LYS A 85 -11.881 2.036 -5.580 1.00 0.00 N ATOM 0 H LYS A 85 -13.768 -2.697 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.394 -1.101 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.842 -0.319 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.418 -1.898 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.511 -0.760 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.034 -1.311 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.682 1.189 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.247 0.779 -8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.423 2.704 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.568 1.379 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.827 1.702 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.162 1.533 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.809 3.057 -5.397 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.607 -3.386 -7.812 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.384 -4.108 -7.983 1.00 0.00 C ATOM 1324 C GLU A 86 -8.120 -3.295 -7.563 1.00 0.00 C ATOM 1325 O GLU A 86 -8.059 -2.148 -7.905 1.00 0.00 O ATOM 1326 CB GLU A 86 -9.097 -4.708 -9.348 1.00 0.00 C ATOM 1327 CG GLU A 86 -7.650 -4.479 -9.892 1.00 0.00 C ATOM 1328 CD GLU A 86 -7.516 -4.843 -11.358 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -8.383 -5.412 -12.017 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -6.441 -4.516 -11.860 1.00 0.00 O ATOM 0 H GLU A 86 -11.116 -3.607 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.575 -4.942 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.283 -5.781 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.806 -4.293 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.375 -3.433 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.947 -5.073 -9.308 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.302 -4.092 -6.890 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.023 -3.514 -6.445 1.00 0.00 C ATOM 1339 C LEU A 87 -4.949 -4.554 -6.226 1.00 0.00 C ATOM 1340 O LEU A 87 -4.115 -4.471 -5.366 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.170 -2.462 -5.339 1.00 0.00 C ATOM 1342 CG LEU A 87 -5.756 -2.857 -3.913 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -6.055 -1.656 -2.967 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.419 -4.078 -3.297 1.00 0.00 C ATOM 0 H LEU A 87 -7.471 -5.069 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.646 -2.927 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.585 -1.589 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.214 -2.150 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.703 -3.121 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.768 -1.915 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.486 -0.785 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.120 -1.426 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.029 -4.235 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.497 -3.921 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.207 -4.955 -3.909 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.112 -5.512 -7.132 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.213 -6.659 -7.177 1.00 0.00 C ATOM 1358 C ILE A 88 -2.795 -6.047 -7.075 1.00 0.00 C ATOM 1359 O ILE A 88 -2.411 -5.342 -7.966 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.396 -7.291 -8.554 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.778 -7.948 -8.575 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.369 -8.320 -8.927 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -6.173 -8.464 -9.958 1.00 0.00 C ATOM 0 H ILE A 88 -5.849 -5.518 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.387 -7.402 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.283 -6.491 -9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.791 -8.777 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.522 -7.227 -8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.587 -8.708 -9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.379 -7.864 -8.925 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.394 -9.137 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.162 -8.919 -9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.191 -7.634 -10.665 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.448 -9.208 -10.290 1.00 0.00 H new ATOM 1375 N ALA A 89 -2.208 -6.411 -5.959 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.897 -5.984 -5.560 1.00 0.00 C ATOM 1377 C ALA A 89 0.088 -6.940 -6.211 1.00 0.00 C ATOM 1378 O ALA A 89 0.673 -7.698 -5.495 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.766 -6.003 -4.011 1.00 0.00 C ATOM 0 H ALA A 89 -2.650 -7.035 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.700 -4.960 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.234 -5.676 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.505 -5.331 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.935 -7.015 -3.644 1.00 0.00 H new ATOM 1385 N VAL A 90 0.104 -6.737 -7.513 1.00 0.00 N ATOM 1386 CA VAL A 90 1.041 -7.593 -8.209 1.00 0.00 C ATOM 1387 C VAL A 90 2.381 -7.166 -7.543 1.00 0.00 C ATOM 1388 O VAL A 90 2.598 -5.943 -7.545 1.00 0.00 O ATOM 1389 CB VAL A 90 1.177 -7.266 -9.674 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.643 -7.317 -10.176 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.474 -8.223 -10.624 1.00 0.00 C ATOM 0 H VAL A 90 -0.447 -6.073 -8.058 1.00 0.00 H new ATOM 0 HA VAL A 90 0.747 -8.641 -8.148 1.00 0.00 H new ATOM 0 HB VAL A 90 0.732 -6.271 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.673 -7.072 -11.238 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.243 -6.596 -9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.045 -8.318 -10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.634 -7.898 -11.652 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.878 -9.227 -10.494 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.594 -8.231 -10.408 1.00 0.00 H new ATOM 1401 N ARG A 91 3.150 -8.138 -7.028 1.00 0.00 N ATOM 1402 CA ARG A 91 4.319 -7.559 -6.414 1.00 0.00 C ATOM 1403 C ARG A 91 5.448 -8.529 -6.285 1.00 0.00 C ATOM 1404 O ARG A 91 5.236 -9.698 -6.363 1.00 0.00 O ATOM 1405 CB ARG A 91 3.906 -7.069 -4.999 1.00 0.00 C ATOM 1406 CG ARG A 91 4.989 -6.541 -4.122 1.00 0.00 C ATOM 1407 CD ARG A 91 4.475 -5.832 -2.853 1.00 0.00 C ATOM 1408 NE ARG A 91 3.137 -6.244 -2.500 1.00 0.00 N ATOM 1409 CZ ARG A 91 2.711 -6.213 -1.221 1.00 0.00 C ATOM 1410 NH1 ARG A 91 3.470 -5.810 -0.223 1.00 0.00 N ATOM 1411 NH2 ARG A 91 1.444 -6.619 -1.000 1.00 0.00 N ATOM 0 H ARG A 91 3.015 -9.149 -7.021 1.00 0.00 H new ATOM 0 HA ARG A 91 4.674 -6.745 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.155 -6.288 -5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.425 -7.898 -4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.639 -7.365 -3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.599 -5.843 -4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.149 -6.044 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.491 -4.753 -3.010 1.00 0.00 H new ATOM 0 HE ARG A 91 2.502 -6.564 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.426 -5.503 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.102 -5.805 0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.864 -6.927 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.066 -6.618 -0.053 1.00 0.00 H new ATOM 1425 N GLU A 92 6.594 -7.843 -6.091 1.00 0.00 N ATOM 1426 CA GLU A 92 7.802 -8.639 -5.932 1.00 0.00 C ATOM 1427 C GLU A 92 8.910 -7.666 -5.518 1.00 0.00 C ATOM 1428 O GLU A 92 8.856 -6.537 -5.993 1.00 0.00 O ATOM 1429 CB GLU A 92 8.000 -9.282 -7.287 1.00 0.00 C ATOM 1430 CG GLU A 92 7.602 -8.398 -8.509 1.00 0.00 C ATOM 1431 CD GLU A 92 8.905 -8.112 -9.279 1.00 0.00 C ATOM 1432 OE1 GLU A 92 9.384 -9.073 -9.871 1.00 0.00 O ATOM 1433 OE2 GLU A 92 9.361 -6.963 -9.240 1.00 0.00 O ATOM 0 H GLU A 92 6.698 -6.829 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 92 7.777 -9.421 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.049 -9.562 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.419 -10.204 -7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.881 -8.914 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.133 -7.470 -8.181 1.00 0.00 H new ATOM 1440 N ILE A 93 9.794 -8.203 -4.685 1.00 0.00 N ATOM 1441 CA ILE A 93 10.903 -7.421 -4.205 1.00 0.00 C ATOM 1442 C ILE A 93 11.678 -6.814 -5.369 1.00 0.00 C ATOM 1443 O ILE A 93 12.304 -7.606 -6.085 1.00 0.00 O ATOM 1444 CB ILE A 93 11.868 -8.184 -3.271 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.098 -9.248 -2.480 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.460 -7.275 -2.200 1.00 0.00 C ATOM 1447 CD1 ILE A 93 9.748 -8.815 -1.914 1.00 0.00 C ATOM 0 H ILE A 93 9.758 -9.162 -4.338 1.00 0.00 H new ATOM 0 HA ILE A 93 10.456 -6.633 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 93 12.643 -8.600 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.938 -10.109 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.725 -9.583 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.133 -7.851 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.014 -6.466 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.657 -6.857 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.295 -9.647 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.891 -7.977 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.092 -8.511 -2.730 1.00 0.00 H new ATOM 1459 N SER A 94 11.592 -5.503 -5.483 1.00 0.00 N ATOM 1460 CA SER A 94 12.332 -4.933 -6.595 1.00 0.00 C ATOM 1461 C SER A 94 13.790 -5.327 -6.694 1.00 0.00 C ATOM 1462 O SER A 94 14.178 -5.942 -7.708 1.00 0.00 O ATOM 1463 CB SER A 94 12.127 -3.402 -6.564 1.00 0.00 C ATOM 1464 OG SER A 94 13.219 -2.750 -7.130 1.00 0.00 O ATOM 0 H SER A 94 11.071 -4.862 -4.884 1.00 0.00 H new ATOM 0 HA SER A 94 11.924 -5.363 -7.510 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.219 -3.140 -7.107 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.991 -3.069 -5.535 1.00 0.00 H new ATOM 0 HG SER A 94 13.627 -2.157 -6.465 1.00 0.00 H new ATOM 1470 N GLY A 95 14.571 -4.991 -5.687 1.00 0.00 N ATOM 1471 CA GLY A 95 15.995 -5.342 -5.716 1.00 0.00 C ATOM 1472 C GLY A 95 16.341 -5.503 -4.229 1.00 0.00 C ATOM 1473 O GLY A 95 16.170 -6.525 -3.612 1.00 0.00 O ATOM 0 H GLY A 95 14.264 -4.488 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.173 -6.262 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.593 -4.562 -6.188 1.00 0.00 H new ATOM 1477 N ASN A 96 16.855 -4.347 -3.718 1.00 0.00 N ATOM 1478 CA ASN A 96 17.236 -4.301 -2.335 1.00 0.00 C ATOM 1479 C ASN A 96 16.121 -3.548 -1.557 1.00 0.00 C ATOM 1480 O ASN A 96 16.464 -2.863 -0.579 1.00 0.00 O ATOM 1481 CB ASN A 96 18.523 -3.496 -2.293 1.00 0.00 C ATOM 1482 CG ASN A 96 19.305 -3.969 -1.069 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.878 -4.778 -0.253 1.00 0.00 O ATOM 1484 ND2 ASN A 96 20.535 -3.386 -0.984 1.00 0.00 N ATOM 0 H ASN A 96 16.999 -3.485 -4.243 1.00 0.00 H new ATOM 0 HA ASN A 96 17.372 -5.290 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 96 19.103 -3.648 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.309 -2.429 -2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 96 21.156 -3.617 -0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.834 -2.719 -1.696 1.00 0.00 H new ATOM 1491 N GLU A 97 14.914 -3.733 -2.049 1.00 0.00 N ATOM 1492 CA GLU A 97 13.743 -3.129 -1.490 1.00 0.00 C ATOM 1493 C GLU A 97 12.561 -3.625 -2.381 1.00 0.00 C ATOM 1494 O GLU A 97 12.855 -4.291 -3.355 1.00 0.00 O ATOM 1495 CB GLU A 97 13.757 -1.626 -1.383 1.00 0.00 C ATOM 1496 CG GLU A 97 14.719 -0.978 -2.395 1.00 0.00 C ATOM 1497 CD GLU A 97 14.532 -1.582 -3.759 1.00 0.00 C ATOM 1498 OE1 GLU A 97 13.429 -1.526 -4.285 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.500 -2.119 -4.305 1.00 0.00 O ATOM 0 H GLU A 97 14.726 -4.319 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 97 13.661 -3.431 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.750 -1.243 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.048 -1.338 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.541 0.096 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.749 -1.117 -2.067 1.00 0.00 H new ATOM 1506 N LEU A 98 11.393 -3.214 -1.897 1.00 0.00 N ATOM 1507 CA LEU A 98 10.120 -3.517 -2.512 1.00 0.00 C ATOM 1508 C LEU A 98 9.522 -2.248 -3.136 1.00 0.00 C ATOM 1509 O LEU A 98 9.862 -1.166 -2.740 1.00 0.00 O ATOM 1510 CB LEU A 98 9.237 -4.050 -1.381 1.00 0.00 C ATOM 1511 CG LEU A 98 8.099 -4.950 -1.861 1.00 0.00 C ATOM 1512 CD1 LEU A 98 7.957 -6.128 -0.920 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.791 -4.161 -1.749 1.00 0.00 C ATOM 0 H LEU A 98 11.311 -2.651 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 98 10.211 -4.247 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.858 -4.607 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.815 -3.207 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 98 8.304 -5.279 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.146 -6.771 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.887 -6.696 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.736 -5.767 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.961 -4.782 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.629 -3.871 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.851 -3.267 -2.370 1.00 0.00 H new ATOM 1525 N ILE A 99 8.636 -2.567 -4.099 1.00 0.00 N ATOM 1526 CA ILE A 99 7.951 -1.570 -4.830 1.00 0.00 C ATOM 1527 C ILE A 99 6.444 -1.667 -4.547 1.00 0.00 C ATOM 1528 O ILE A 99 5.992 -0.675 -4.013 1.00 0.00 O ATOM 1529 CB ILE A 99 8.287 -1.844 -6.331 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.287 -0.758 -6.784 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.029 -1.582 -7.108 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.537 -0.553 -5.945 1.00 0.00 C ATOM 0 H ILE A 99 8.400 -3.523 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 99 8.252 -0.560 -4.552 1.00 0.00 H new ATOM 0 HB ILE A 99 8.675 -2.852 -6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.601 -0.995 -7.801 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.753 0.191 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.212 -1.760 -8.168 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.240 -2.248 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.720 -0.547 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.143 0.240 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.253 -0.274 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 99 11.113 -1.478 -5.918 1.00 0.00 H new ATOM 1544 N GLN A 100 5.801 -2.776 -4.902 1.00 0.00 N ATOM 1545 CA GLN A 100 4.373 -2.995 -4.693 1.00 0.00 C ATOM 1546 C GLN A 100 3.819 -2.254 -5.953 1.00 0.00 C ATOM 1547 O GLN A 100 4.266 -1.169 -6.225 1.00 0.00 O ATOM 1548 CB GLN A 100 3.779 -2.382 -3.447 1.00 0.00 C ATOM 1549 CG GLN A 100 4.540 -2.421 -2.143 1.00 0.00 C ATOM 1550 CD GLN A 100 3.796 -1.505 -1.152 1.00 0.00 C ATOM 1551 OE1 GLN A 100 3.695 -0.306 -1.325 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.298 -2.216 -0.103 1.00 0.00 N ATOM 0 H GLN A 100 6.268 -3.563 -5.352 1.00 0.00 H new ATOM 0 HA GLN A 100 4.137 -4.051 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.572 -1.335 -3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.818 -2.867 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.593 -3.440 -1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.565 -2.080 -2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.441 -3.225 -0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.781 -1.740 0.636 1.00 0.00 H new ATOM 1561 N THR A 101 2.892 -2.991 -6.556 1.00 0.00 N ATOM 1562 CA THR A 101 2.171 -2.637 -7.731 1.00 0.00 C ATOM 1563 C THR A 101 0.714 -3.080 -7.681 1.00 0.00 C ATOM 1564 O THR A 101 0.413 -4.222 -7.906 1.00 0.00 O ATOM 1565 CB THR A 101 2.748 -3.120 -9.068 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.080 -2.778 -9.224 1.00 0.00 O ATOM 1567 CG2 THR A 101 1.926 -2.624 -10.270 1.00 0.00 C ATOM 0 H THR A 101 2.621 -3.907 -6.198 1.00 0.00 H new ATOM 0 HA THR A 101 2.265 -1.551 -7.714 1.00 0.00 H new ATOM 0 HB THR A 101 2.684 -4.208 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.528 -3.451 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.374 -2.992 -11.193 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.904 -2.994 -10.190 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.917 -1.534 -10.280 1.00 0.00 H new ATOM 1575 N TYR A 102 -0.061 -2.041 -7.373 1.00 0.00 N ATOM 1576 CA TYR A 102 -1.474 -2.350 -7.289 1.00 0.00 C ATOM 1577 C TYR A 102 -2.061 -2.175 -8.695 1.00 0.00 C ATOM 1578 O TYR A 102 -2.417 -1.087 -9.066 1.00 0.00 O ATOM 1579 CB TYR A 102 -2.146 -1.382 -6.337 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.405 -0.955 -5.120 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.415 -1.810 -4.035 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.704 0.229 -4.981 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -0.759 -1.515 -2.859 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -0.065 0.470 -3.775 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.147 -0.464 -2.763 1.00 0.00 C ATOM 1586 OH TYR A 102 0.491 -0.212 -1.576 1.00 0.00 O ATOM 0 H TYR A 102 0.228 -1.079 -7.195 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.630 -3.365 -6.925 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.401 -0.485 -6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.084 -1.833 -6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.956 -2.742 -4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.656 0.945 -5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.787 -2.208 -2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.493 1.383 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 102 1.460 -0.274 -1.706 1.00 0.00 H new ATOM 1596 N THR A 103 -2.125 -3.326 -9.393 1.00 0.00 N ATOM 1597 CA THR A 103 -2.685 -3.391 -10.762 1.00 0.00 C ATOM 1598 C THR A 103 -4.134 -2.950 -10.467 1.00 0.00 C ATOM 1599 O THR A 103 -4.873 -3.549 -9.707 1.00 0.00 O ATOM 1600 CB THR A 103 -2.547 -4.722 -11.432 1.00 0.00 C ATOM 1601 OG1 THR A 103 -1.266 -4.977 -11.965 1.00 0.00 O ATOM 1602 CG2 THR A 103 -3.525 -4.943 -12.615 1.00 0.00 C ATOM 0 H THR A 103 -1.797 -4.223 -9.034 1.00 0.00 H new ATOM 0 HA THR A 103 -2.169 -2.774 -11.498 1.00 0.00 H new ATOM 0 HB THR A 103 -2.768 -5.397 -10.605 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.256 -5.863 -12.383 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.359 -5.931 -13.044 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.552 -4.871 -12.257 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.352 -4.183 -13.377 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.445 -1.834 -11.149 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.772 -1.301 -10.946 1.00 0.00 C ATOM 1612 C TYR A 104 -6.126 -0.205 -11.905 1.00 0.00 C ATOM 1613 O TYR A 104 -5.473 0.842 -11.957 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.736 -0.838 -9.456 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.508 0.373 -9.115 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -7.655 0.855 -9.747 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.115 1.191 -8.049 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -8.321 1.990 -9.371 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -6.849 2.315 -7.739 1.00 0.00 C ATOM 1620 CZ TYR A 104 -7.826 2.703 -8.299 1.00 0.00 C ATOM 1621 OH TYR A 104 -8.487 3.843 -7.920 1.00 0.00 O ATOM 0 H TYR A 104 -3.839 -1.327 -11.794 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.556 -2.033 -11.140 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.100 -1.658 -8.837 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.696 -0.667 -9.179 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.042 0.297 -10.587 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.238 0.941 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.206 2.317 -9.897 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.503 2.905 -6.903 1.00 0.00 H new ATOM 0 HH TYR A 104 -8.031 4.245 -7.151 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.181 -0.496 -12.648 1.00 0.00 N ATOM 1632 CA GLU A 105 -7.764 0.368 -13.662 1.00 0.00 C ATOM 1633 C GLU A 105 -6.706 1.063 -14.473 1.00 0.00 C ATOM 1634 O GLU A 105 -6.408 0.590 -15.581 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.643 1.365 -12.891 1.00 0.00 C ATOM 1636 CG GLU A 105 -9.882 0.556 -12.400 1.00 0.00 C ATOM 1637 CD GLU A 105 -11.165 1.336 -12.491 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.345 2.289 -11.723 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -12.030 1.014 -13.320 1.00 0.00 O ATOM 0 H GLU A 105 -7.678 -1.382 -12.557 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.349 -0.199 -14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.099 1.795 -12.050 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.947 2.193 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.973 -0.354 -12.993 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.722 0.248 -11.367 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.109 2.172 -13.985 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.112 2.765 -14.821 1.00 0.00 C ATOM 1648 C GLY A 106 -3.961 1.790 -15.075 1.00 0.00 C ATOM 1649 O GLY A 106 -3.189 1.974 -16.012 1.00 0.00 O ATOM 0 H GLY A 106 -6.295 2.625 -13.090 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.558 3.063 -15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.729 3.671 -14.351 1.00 0.00 H new ATOM 1653 N VAL A 107 -3.880 0.769 -14.208 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.902 -0.265 -14.237 1.00 0.00 C ATOM 1655 C VAL A 107 -1.467 0.119 -13.919 1.00 0.00 C ATOM 1656 O VAL A 107 -1.063 1.231 -14.190 1.00 0.00 O ATOM 1657 CB VAL A 107 -2.842 -0.831 -15.690 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.279 -2.232 -15.744 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.186 -0.896 -16.391 1.00 0.00 C ATOM 0 H VAL A 107 -4.541 0.661 -13.439 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.231 -0.951 -13.457 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.194 -0.117 -16.199 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.260 -2.577 -16.778 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.266 -2.233 -15.342 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.905 -2.899 -15.151 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.054 -1.301 -17.394 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.860 -1.540 -15.826 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.611 0.106 -16.457 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.811 -0.917 -13.336 1.00 0.00 N ATOM 1670 CA GLU A 108 0.580 -0.809 -12.937 1.00 0.00 C ATOM 1671 C GLU A 108 0.779 0.508 -12.199 1.00 0.00 C ATOM 1672 O GLU A 108 1.258 1.458 -12.788 1.00 0.00 O ATOM 1673 CB GLU A 108 1.498 -0.972 -14.134 1.00 0.00 C ATOM 1674 CG GLU A 108 1.975 -2.428 -14.226 1.00 0.00 C ATOM 1675 CD GLU A 108 2.810 -2.620 -15.471 1.00 0.00 C ATOM 1676 OE1 GLU A 108 3.464 -1.652 -15.846 1.00 0.00 O ATOM 1677 OE2 GLU A 108 2.764 -3.733 -16.003 1.00 0.00 O ATOM 0 H GLU A 108 -1.236 -1.823 -13.141 1.00 0.00 H new ATOM 0 HA GLU A 108 0.843 -1.616 -12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.973 -0.693 -15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.354 -0.304 -14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.560 -2.684 -13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.117 -3.100 -14.246 1.00 0.00 H new ATOM 1684 N ALA A 109 0.381 0.478 -10.909 1.00 0.00 N ATOM 1685 CA ALA A 109 0.547 1.677 -10.137 1.00 0.00 C ATOM 1686 C ALA A 109 1.524 1.378 -8.958 1.00 0.00 C ATOM 1687 O ALA A 109 1.096 1.251 -7.845 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.771 1.920 -9.399 1.00 0.00 C ATOM 0 H ALA A 109 -0.030 -0.320 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 109 0.874 2.486 -10.790 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.690 2.825 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.577 2.037 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.986 1.071 -8.750 1.00 0.00 H new ATOM 1694 N LYS A 110 2.763 1.301 -9.445 1.00 0.00 N ATOM 1695 CA LYS A 110 3.760 1.012 -8.482 1.00 0.00 C ATOM 1696 C LYS A 110 4.226 2.261 -7.769 1.00 0.00 C ATOM 1697 O LYS A 110 4.183 3.374 -8.256 1.00 0.00 O ATOM 1698 CB LYS A 110 5.052 0.348 -9.059 1.00 0.00 C ATOM 1699 CG LYS A 110 4.743 -0.214 -10.433 1.00 0.00 C ATOM 1700 CD LYS A 110 5.876 -1.163 -10.912 1.00 0.00 C ATOM 1701 CE LYS A 110 6.764 -0.638 -12.012 1.00 0.00 C ATOM 1702 NZ LYS A 110 7.324 -1.699 -12.858 1.00 0.00 N ATOM 0 H LYS A 110 3.060 1.425 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 110 3.261 0.311 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.856 1.081 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.397 -0.445 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.797 -0.756 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.622 0.602 -11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.502 -1.409 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.422 -2.094 -11.253 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.192 0.051 -12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.580 -0.066 -11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.924 -1.276 -13.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.895 -2.344 -12.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.550 -2.231 -13.306 1.00 0.00 H new ATOM 1716 N ARG A 111 4.669 1.902 -6.549 1.00 0.00 N ATOM 1717 CA ARG A 111 5.170 2.945 -5.671 1.00 0.00 C ATOM 1718 C ARG A 111 6.644 2.538 -5.372 1.00 0.00 C ATOM 1719 O ARG A 111 7.066 1.513 -5.890 1.00 0.00 O ATOM 1720 CB ARG A 111 4.327 3.041 -4.430 1.00 0.00 C ATOM 1721 CG ARG A 111 3.968 4.514 -4.112 1.00 0.00 C ATOM 1722 CD ARG A 111 2.659 4.964 -4.732 1.00 0.00 C ATOM 1723 NE ARG A 111 1.947 5.797 -3.775 1.00 0.00 N ATOM 1724 CZ ARG A 111 0.653 6.101 -3.869 1.00 0.00 C ATOM 1725 NH1 ARG A 111 -0.080 5.643 -4.891 1.00 0.00 N ATOM 1726 NH2 ARG A 111 0.045 6.859 -2.980 1.00 0.00 N ATOM 0 H ARG A 111 4.687 0.953 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 111 5.126 3.938 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.413 2.461 -4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.863 2.604 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.912 4.641 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.771 5.160 -4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.848 5.521 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.053 4.099 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 111 2.470 6.171 -2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.351 5.057 -5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.070 5.880 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.566 7.234 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.947 7.071 -3.084 1.00 0.00 H new ATOM 1740 N ILE A 112 7.279 3.417 -4.547 1.00 0.00 N ATOM 1741 CA ILE A 112 8.653 3.115 -4.231 1.00 0.00 C ATOM 1742 C ILE A 112 8.949 3.189 -2.738 1.00 0.00 C ATOM 1743 O ILE A 112 8.971 4.302 -2.244 1.00 0.00 O ATOM 1744 CB ILE A 112 9.585 4.049 -5.005 1.00 0.00 C ATOM 1745 CG1 ILE A 112 9.776 3.568 -6.462 1.00 0.00 C ATOM 1746 CG2 ILE A 112 11.008 4.113 -4.501 1.00 0.00 C ATOM 1747 CD1 ILE A 112 8.697 3.940 -7.471 1.00 0.00 C ATOM 0 H ILE A 112 6.883 4.261 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 112 8.831 2.083 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 112 9.086 5.011 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.726 3.961 -6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.865 2.482 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.582 4.803 -5.119 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.013 4.461 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.457 3.121 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.960 3.539 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.742 3.523 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.616 5.025 -7.534 1.00 0.00 H new ATOM 1759 N PHE A 113 9.144 2.000 -2.200 1.00 0.00 N ATOM 1760 CA PHE A 113 9.437 1.817 -0.804 1.00 0.00 C ATOM 1761 C PHE A 113 10.807 1.133 -0.728 1.00 0.00 C ATOM 1762 O PHE A 113 11.318 0.895 -1.814 1.00 0.00 O ATOM 1763 CB PHE A 113 8.441 0.884 -0.117 1.00 0.00 C ATOM 1764 CG PHE A 113 7.059 1.391 0.031 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.688 2.656 -0.416 1.00 0.00 C ATOM 1766 CD2 PHE A 113 6.019 0.671 0.618 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.409 3.192 -0.308 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.777 1.288 0.681 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.519 2.555 0.202 1.00 0.00 C ATOM 0 H PHE A 113 9.102 1.130 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 113 9.397 2.788 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.404 -0.050 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.825 0.645 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.449 3.266 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.173 -0.325 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.211 4.185 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.962 0.742 1.133 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.527 2.975 0.282 1.00 0.00 H new ATOM 1779 N LYS A 114 11.214 0.905 0.533 1.00 0.00 N ATOM 1780 CA LYS A 114 12.483 0.275 0.723 1.00 0.00 C ATOM 1781 C LYS A 114 12.844 0.057 2.194 1.00 0.00 C ATOM 1782 O LYS A 114 12.910 0.839 3.116 1.00 0.00 O ATOM 1783 CB LYS A 114 13.595 1.104 0.066 1.00 0.00 C ATOM 1784 CG LYS A 114 14.015 2.424 0.678 1.00 0.00 C ATOM 1785 CD LYS A 114 13.015 3.063 1.639 1.00 0.00 C ATOM 1786 CE LYS A 114 12.680 4.567 1.397 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.776 5.485 1.386 1.00 0.00 N ATOM 0 H LYS A 114 10.697 1.142 1.380 1.00 0.00 H new ATOM 0 HA LYS A 114 12.398 -0.706 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.482 0.473 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.287 1.305 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.954 2.273 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 114 14.215 3.129 -0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.086 2.495 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.402 2.959 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.161 4.648 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.979 4.886 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.421 6.448 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 14.265 5.453 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 14.441 5.223 0.630 1.00 0.00 H new ATOM 1801 N LYS A 115 13.144 -1.234 2.407 1.00 0.00 N ATOM 1802 CA LYS A 115 13.549 -1.792 3.670 1.00 0.00 C ATOM 1803 C LYS A 115 14.461 -0.933 4.528 1.00 0.00 C ATOM 1804 O LYS A 115 14.157 -0.612 5.663 1.00 0.00 O ATOM 1805 CB LYS A 115 14.220 -3.142 3.344 1.00 0.00 C ATOM 1806 CG LYS A 115 14.227 -3.923 4.676 1.00 0.00 C ATOM 1807 CD LYS A 115 15.275 -5.052 4.637 1.00 0.00 C ATOM 1808 CE LYS A 115 14.808 -6.322 5.344 1.00 0.00 C ATOM 1809 NZ LYS A 115 15.541 -7.519 5.036 1.00 0.00 N ATOM 0 H LYS A 115 13.104 -1.930 1.663 1.00 0.00 H new ATOM 0 HA LYS A 115 12.657 -1.885 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.667 -3.681 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.232 -2.998 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.446 -3.245 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.239 -4.343 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.511 -5.286 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.196 -4.702 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.859 -6.155 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.760 -6.488 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.877 -8.308 4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.090 -7.375 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.187 -7.742 5.820 1.00 0.00 H new ATOM 1823 N GLU A 116 15.586 -0.611 3.845 1.00 0.00 N ATOM 1824 CA GLU A 116 16.653 0.185 4.348 1.00 0.00 C ATOM 1825 C GLU A 116 17.963 -0.057 3.552 1.00 0.00 C ATOM 1826 O GLU A 116 18.796 -0.866 3.958 1.00 0.00 O ATOM 1827 CB GLU A 116 16.923 -0.185 5.817 1.00 0.00 C ATOM 1828 CG GLU A 116 18.184 0.396 6.441 1.00 0.00 C ATOM 1829 CD GLU A 116 18.007 0.706 7.935 1.00 0.00 C ATOM 1830 OE1 GLU A 116 17.012 0.257 8.531 1.00 0.00 O ATOM 1831 OE2 GLU A 116 18.859 1.393 8.512 1.00 0.00 O ATOM 1832 OXT GLU A 116 18.120 0.591 2.514 1.00 0.00 O ATOM 0 H GLU A 116 15.749 -0.929 2.890 1.00 0.00 H new ATOM 0 HA GLU A 116 16.358 1.230 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.068 0.136 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.974 -1.271 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 116 19.007 -0.307 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.460 1.309 5.913 1.00 0.00 H new TER 1839 GLU A 116