USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 806 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 Single : A 4 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.83) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= -3.16 (180deg=-3.28) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.136 (180deg=-1.01) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= 1.06 (180deg=0.0756) USER MOD Single : A 22 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.013) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0.0963 (180deg=0.0367) USER MOD Single : A 39 ASN : amide:sc= -6.41! C(o=-6.4!,f=-12!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 161:sc= -2.57 (180deg=-3.95!) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 0.757 (180deg=0.115) USER MOD Single : A 49 ASN : amide:sc= -0.317 K(o=-0.32,f=-4!) USER MOD Single : A 51 LYS NZ :NH3+ -120:sc= 0.411 (180deg=-1.02) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.365 F(o=-0.88,f=-0.36) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -4.25! C(o=-4.3!,f=-5.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -168:sc= 0 (180deg=-0.153) USER MOD Single : A 75 SER OG : rot -159:sc= -0.184 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 144:sc= -2.06 (180deg=-4.42!) USER MOD Single : A 83 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.8!) USER MOD Single : A 84 TYR OH : rot -179:sc= -1.62! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.92 X(o=-2.9,f=-3.1) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -1.59 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.352 F(o=-1.4,f=-0.35) USER MOD Single : A 97 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.43) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -170:sc= -0.281 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 4 -2.665 22.716 -5.922 1.00 1.39 N ATOM 2 CA ASN A 4 -1.278 22.483 -5.517 1.00 1.19 C ATOM 3 C ASN A 4 -1.226 21.842 -4.132 1.00 0.98 C ATOM 4 O ASN A 4 -2.187 21.204 -3.703 1.00 1.50 O ATOM 5 CB ASN A 4 -0.474 23.791 -5.536 1.00 1.71 C ATOM 6 CG ASN A 4 -0.759 24.627 -6.768 1.00 1.99 C ATOM 7 OD1 ASN A 4 -1.178 24.108 -7.803 1.00 2.33 O ATOM 8 ND2 ASN A 4 -0.533 25.932 -6.663 1.00 2.64 N ATOM 0 HA ASN A 4 -0.826 21.797 -6.234 1.00 1.19 H new ATOM 0 HB2 ASN A 4 -0.709 24.372 -4.644 1.00 1.71 H new ATOM 0 HB3 ASN A 4 0.591 23.561 -5.495 1.00 1.71 H new ATOM 0 HD21 ASN A 4 -0.707 26.545 -7.459 1.00 2.64 H new ATOM 0 HD22 ASN A 4 -0.186 26.320 -5.786 1.00 2.64 H new ATOM 15 N ASN A 5 -0.110 22.016 -3.426 1.00 0.76 N ATOM 16 CA ASN A 5 0.056 21.459 -2.085 1.00 0.53 C ATOM 17 C ASN A 5 -0.456 20.026 -2.022 1.00 0.49 C ATOM 18 O ASN A 5 -0.626 19.373 -3.051 1.00 0.60 O ATOM 19 CB ASN A 5 -0.692 22.311 -1.056 1.00 0.52 C ATOM 20 CG ASN A 5 -0.637 23.794 -1.373 1.00 0.63 C ATOM 21 OD1 ASN A 5 -1.669 24.450 -1.507 1.00 1.19 O ATOM 22 ND2 ASN A 5 0.573 24.329 -1.495 1.00 1.41 N ATOM 0 H ASN A 5 0.697 22.541 -3.763 1.00 0.76 H new ATOM 0 HA ASN A 5 1.121 21.463 -1.853 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.733 21.991 -1.013 1.00 0.52 H new ATOM 0 HB3 ASN A 5 -0.265 22.139 -0.068 1.00 0.52 H new ATOM 0 HD21 ASN A 5 0.673 25.322 -1.708 1.00 1.41 H new ATOM 0 HD22 ASN A 5 1.402 23.747 -1.376 1.00 1.41 H new ATOM 29 N LYS A 6 -0.717 19.548 -0.813 1.00 0.45 N ATOM 30 CA LYS A 6 -1.225 18.202 -0.639 1.00 0.49 C ATOM 31 C LYS A 6 -2.723 18.219 -0.392 1.00 0.49 C ATOM 32 O LYS A 6 -3.190 18.680 0.648 1.00 0.56 O ATOM 33 CB LYS A 6 -0.530 17.485 0.523 1.00 0.64 C ATOM 34 CG LYS A 6 -1.090 16.093 0.838 1.00 1.28 C ATOM 35 CD LYS A 6 -1.798 15.437 -0.350 1.00 1.76 C ATOM 36 CE LYS A 6 -1.784 13.921 -0.244 1.00 2.52 C ATOM 37 NZ LYS A 6 -1.769 13.271 -1.584 1.00 3.06 N ATOM 0 H LYS A 6 -0.585 20.070 0.053 1.00 0.45 H new ATOM 0 HA LYS A 6 -1.015 17.659 -1.561 1.00 0.49 H new ATOM 0 HB2 LYS A 6 0.531 17.392 0.293 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -0.610 18.105 1.416 1.00 0.64 H new ATOM 0 HG2 LYS A 6 -0.275 15.448 1.167 1.00 1.28 H new ATOM 0 HG3 LYS A 6 -1.790 16.171 1.670 1.00 1.28 H new ATOM 0 HD2 LYS A 6 -2.828 15.789 -0.399 1.00 1.76 H new ATOM 0 HD3 LYS A 6 -1.312 15.742 -1.277 1.00 1.76 H new ATOM 0 HE2 LYS A 6 -0.908 13.605 0.323 1.00 2.52 H new ATOM 0 HE3 LYS A 6 -2.661 13.588 0.311 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 -1.794 12.238 -1.469 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 -2.600 13.579 -2.129 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 -0.903 13.542 -2.092 1.00 3.06 H new ATOM 51 N ARG A 7 -3.465 17.681 -1.344 1.00 0.50 N ATOM 52 CA ARG A 7 -4.906 17.594 -1.227 1.00 0.52 C ATOM 53 C ARG A 7 -5.296 16.135 -1.065 1.00 0.47 C ATOM 54 O ARG A 7 -4.988 15.304 -1.929 1.00 0.43 O ATOM 55 CB ARG A 7 -5.585 18.198 -2.457 1.00 0.57 C ATOM 56 CG ARG A 7 -5.741 19.709 -2.380 1.00 0.77 C ATOM 57 CD ARG A 7 -4.395 20.411 -2.431 1.00 0.64 C ATOM 58 NE ARG A 7 -4.099 21.114 -1.187 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.806 22.146 -0.740 1.00 1.66 C ATOM 60 NH1 ARG A 7 -5.845 22.590 -1.435 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.476 22.735 0.401 1.00 2.11 N ATOM 0 H ARG A 7 -3.089 17.296 -2.211 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.235 18.160 -0.356 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -5.005 17.945 -3.344 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.569 17.744 -2.579 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.364 20.054 -3.205 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -6.257 19.976 -1.458 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.612 19.680 -2.630 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -4.387 21.120 -3.259 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.306 20.796 -0.630 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -6.101 22.139 -2.313 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -6.387 23.382 -1.091 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -3.678 22.396 0.938 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -5.020 23.527 0.742 1.00 2.11 H new ATOM 75 N ALA A 8 -5.954 15.835 0.055 1.00 0.50 N ATOM 76 CA ALA A 8 -6.375 14.476 0.376 1.00 0.47 C ATOM 77 C ALA A 8 -6.906 13.740 -0.849 1.00 0.44 C ATOM 78 O ALA A 8 -8.013 14.011 -1.312 1.00 0.56 O ATOM 79 CB ALA A 8 -7.432 14.501 1.469 1.00 0.54 C ATOM 0 H ALA A 8 -6.208 16.526 0.761 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.498 13.935 0.730 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.740 13.481 1.701 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.020 14.968 2.363 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.296 15.071 1.127 1.00 0.54 H new ATOM 85 N PRO A 9 -6.126 12.790 -1.391 1.00 0.36 N ATOM 86 CA PRO A 9 -6.542 12.022 -2.559 1.00 0.37 C ATOM 87 C PRO A 9 -7.749 11.142 -2.256 1.00 0.37 C ATOM 88 O PRO A 9 -7.766 10.414 -1.264 1.00 0.40 O ATOM 89 CB PRO A 9 -5.316 11.167 -2.896 1.00 0.39 C ATOM 90 CG PRO A 9 -4.520 11.108 -1.638 1.00 0.51 C ATOM 91 CD PRO A 9 -4.789 12.394 -0.910 1.00 0.41 C ATOM 0 HA PRO A 9 -6.852 12.665 -3.383 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.610 10.169 -3.223 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.738 11.610 -3.707 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.812 10.250 -1.033 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.457 10.998 -1.855 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -4.777 12.253 0.171 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.039 13.150 -1.141 1.00 0.41 H new ATOM 99 N TYR A 10 -8.763 11.217 -3.113 1.00 0.38 N ATOM 100 CA TYR A 10 -9.978 10.430 -2.928 1.00 0.41 C ATOM 101 C TYR A 10 -9.798 9.020 -3.477 1.00 0.38 C ATOM 102 O TYR A 10 -9.057 8.807 -4.434 1.00 0.44 O ATOM 103 CB TYR A 10 -11.165 11.113 -3.613 1.00 0.49 C ATOM 104 CG TYR A 10 -10.852 11.632 -4.998 1.00 1.15 C ATOM 105 CD1 TYR A 10 -10.831 10.778 -6.093 1.00 1.90 C ATOM 106 CD2 TYR A 10 -10.575 12.977 -5.209 1.00 2.02 C ATOM 107 CE1 TYR A 10 -10.544 11.251 -7.360 1.00 2.78 C ATOM 108 CE2 TYR A 10 -10.288 13.457 -6.473 1.00 2.96 C ATOM 109 CZ TYR A 10 -10.274 12.589 -7.545 1.00 3.18 C ATOM 110 OH TYR A 10 -9.989 13.062 -8.805 1.00 4.20 O ATOM 0 H TYR A 10 -8.768 11.813 -3.941 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.179 10.361 -1.859 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.992 10.406 -3.678 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.503 11.942 -2.992 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -11.042 9.728 -5.953 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -10.584 13.659 -4.371 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -10.532 10.574 -8.201 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -10.076 14.506 -6.620 1.00 2.96 H new ATOM 0 HH TYR A 10 -9.823 14.027 -8.762 1.00 4.20 H new ATOM 120 N TRP A 11 -10.482 8.060 -2.861 1.00 0.47 N ATOM 121 CA TRP A 11 -10.392 6.666 -3.286 1.00 0.49 C ATOM 122 C TRP A 11 -11.142 6.445 -4.595 1.00 0.42 C ATOM 123 O TRP A 11 -12.319 6.786 -4.713 1.00 0.45 O ATOM 124 CB TRP A 11 -10.957 5.736 -2.207 1.00 0.60 C ATOM 125 CG TRP A 11 -10.745 6.231 -0.809 1.00 0.83 C ATOM 126 CD1 TRP A 11 -9.680 6.951 -0.344 1.00 1.71 C ATOM 127 CD2 TRP A 11 -11.618 6.041 0.309 1.00 1.65 C ATOM 128 NE1 TRP A 11 -9.843 7.221 0.994 1.00 2.26 N ATOM 129 CE2 TRP A 11 -11.024 6.671 1.418 1.00 2.17 C ATOM 130 CE3 TRP A 11 -12.849 5.398 0.480 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -11.616 6.678 2.677 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -13.435 5.405 1.731 1.00 3.54 C ATOM 133 CH2 TRP A 11 -12.819 6.041 2.815 1.00 3.60 C ATOM 0 H TRP A 11 -11.103 8.221 -2.068 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.338 6.434 -3.442 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -12.026 5.604 -2.377 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -10.495 4.754 -2.309 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -8.835 7.262 -0.940 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -9.191 7.746 1.577 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -13.332 4.905 -0.351 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -11.143 7.168 3.515 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -14.385 4.911 1.875 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -13.303 6.029 3.780 1.00 3.60 H new ATOM 144 N THR A 12 -10.457 5.862 -5.572 1.00 0.45 N ATOM 145 CA THR A 12 -11.064 5.586 -6.869 1.00 0.50 C ATOM 146 C THR A 12 -11.568 4.151 -6.928 1.00 0.55 C ATOM 147 O THR A 12 -12.760 3.906 -7.119 1.00 0.64 O ATOM 148 CB THR A 12 -10.068 5.818 -8.021 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.725 5.794 -7.522 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.333 7.149 -8.708 1.00 1.23 C ATOM 0 H THR A 12 -9.483 5.572 -5.491 1.00 0.45 H new ATOM 0 HA THR A 12 -11.900 6.275 -6.986 1.00 0.50 H new ATOM 0 HB THR A 12 -10.200 5.018 -8.750 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.099 5.941 -8.261 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.617 7.290 -9.518 1.00 1.23 H new ATOM 0 HG22 THR A 12 -11.345 7.154 -9.114 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.228 7.959 -7.986 1.00 1.23 H new ATOM 158 N ASN A 13 -10.655 3.202 -6.755 1.00 0.56 N ATOM 159 CA ASN A 13 -11.006 1.789 -6.779 1.00 0.66 C ATOM 160 C ASN A 13 -11.110 1.238 -5.360 1.00 0.63 C ATOM 161 O ASN A 13 -10.228 1.460 -4.532 1.00 0.58 O ATOM 162 CB ASN A 13 -9.964 0.998 -7.572 1.00 0.73 C ATOM 163 CG ASN A 13 -9.774 1.539 -8.975 1.00 1.35 C ATOM 164 OD1 ASN A 13 -8.916 2.544 -9.110 1.00 2.05 O flip ATOM 165 ND2 ASN A 13 -10.391 1.060 -9.927 1.00 1.96 N flip ATOM 0 H ASN A 13 -9.665 3.387 -6.596 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.976 1.684 -7.265 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.011 1.025 -7.043 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.269 -0.047 -7.627 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -11.041 0.288 -9.777 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -10.252 1.435 -10.865 1.00 1.96 H new ATOM 172 N THR A 14 -12.196 0.521 -5.082 1.00 0.74 N ATOM 173 CA THR A 14 -12.408 -0.056 -3.760 1.00 0.78 C ATOM 174 C THR A 14 -11.353 -1.113 -3.450 1.00 0.76 C ATOM 175 O THR A 14 -11.079 -1.992 -4.269 1.00 0.78 O ATOM 176 CB THR A 14 -13.808 -0.686 -3.639 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.433 -0.745 -4.925 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.680 0.114 -2.683 1.00 1.15 C ATOM 0 H THR A 14 -12.940 0.327 -5.753 1.00 0.74 H new ATOM 0 HA THR A 14 -12.325 0.758 -3.040 1.00 0.78 H new ATOM 0 HB THR A 14 -13.694 -1.696 -3.245 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.322 -1.149 -4.839 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.664 -0.350 -2.613 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.217 0.132 -1.696 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.785 1.134 -3.053 1.00 1.15 H new ATOM 186 N GLU A 15 -10.798 -1.059 -2.244 1.00 0.76 N ATOM 187 CA GLU A 15 -9.805 -2.036 -1.818 1.00 0.77 C ATOM 188 C GLU A 15 -10.478 -3.349 -1.433 1.00 0.82 C ATOM 189 O GLU A 15 -9.833 -4.397 -1.378 1.00 0.82 O ATOM 190 CB GLU A 15 -9.010 -1.496 -0.628 1.00 0.79 C ATOM 191 CG GLU A 15 -9.887 -0.982 0.505 1.00 1.35 C ATOM 192 CD GLU A 15 -9.715 -1.779 1.783 1.00 1.75 C ATOM 193 OE1 GLU A 15 -9.935 -3.008 1.750 1.00 2.50 O ATOM 194 OE2 GLU A 15 -9.364 -1.174 2.818 1.00 2.06 O ATOM 0 H GLU A 15 -11.019 -0.349 -1.545 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.125 -2.219 -2.650 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -8.362 -2.285 -0.246 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.362 -0.689 -0.970 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -9.648 0.064 0.698 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -10.932 -1.019 0.196 1.00 1.35 H new ATOM 201 N LYS A 16 -11.786 -3.288 -1.196 1.00 0.88 N ATOM 202 CA LYS A 16 -12.545 -4.471 -0.842 1.00 0.95 C ATOM 203 C LYS A 16 -12.655 -5.407 -2.037 1.00 0.98 C ATOM 204 O LYS A 16 -12.927 -6.598 -1.880 1.00 1.01 O ATOM 205 CB LYS A 16 -13.940 -4.082 -0.347 1.00 1.04 C ATOM 206 CG LYS A 16 -14.714 -5.238 0.262 1.00 1.44 C ATOM 207 CD LYS A 16 -15.622 -4.769 1.387 1.00 1.61 C ATOM 208 CE LYS A 16 -16.980 -4.335 0.861 1.00 2.37 C ATOM 209 NZ LYS A 16 -16.889 -3.092 0.046 1.00 2.83 N ATOM 0 H LYS A 16 -12.336 -2.430 -1.244 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.021 -4.989 -0.039 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.845 -3.289 0.395 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.511 -3.673 -1.180 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -15.311 -5.724 -0.510 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.016 -5.984 0.643 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -15.751 -5.573 2.111 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -15.152 -3.938 1.913 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -17.408 -5.135 0.256 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -17.658 -4.171 1.698 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -17.809 -2.608 0.047 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -16.167 -2.463 0.451 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -16.627 -3.336 -0.931 1.00 2.83 H new ATOM 223 N MET A 17 -12.437 -4.869 -3.237 1.00 0.98 N ATOM 224 CA MET A 17 -12.505 -5.672 -4.446 1.00 1.04 C ATOM 225 C MET A 17 -11.225 -5.523 -5.258 1.00 1.03 C ATOM 226 O MET A 17 -11.235 -5.686 -6.477 1.00 1.17 O ATOM 227 CB MET A 17 -13.711 -5.261 -5.293 1.00 1.21 C ATOM 228 CG MET A 17 -14.954 -4.953 -4.471 1.00 1.44 C ATOM 229 SD MET A 17 -16.466 -5.565 -5.242 1.00 1.83 S ATOM 230 CE MET A 17 -17.431 -5.997 -3.797 1.00 2.16 C ATOM 0 H MET A 17 -12.213 -3.886 -3.392 1.00 0.98 H new ATOM 0 HA MET A 17 -12.617 -6.717 -4.157 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.448 -4.383 -5.883 1.00 1.21 H new ATOM 0 HB3 MET A 17 -13.940 -6.061 -5.997 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.850 -5.398 -3.481 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.033 -3.875 -4.329 1.00 1.44 H new ATOM 0 HE1 MET A 17 -18.398 -6.392 -4.110 1.00 2.16 H new ATOM 0 HE2 MET A 17 -16.900 -6.753 -3.218 1.00 2.16 H new ATOM 0 HE3 MET A 17 -17.583 -5.110 -3.183 1.00 2.16 H new ATOM 240 N GLU A 18 -10.126 -5.197 -4.583 1.00 0.95 N ATOM 241 CA GLU A 18 -8.857 -5.016 -5.273 1.00 1.06 C ATOM 242 C GLU A 18 -7.685 -5.637 -4.518 1.00 0.96 C ATOM 243 O GLU A 18 -7.009 -6.523 -5.040 1.00 1.57 O ATOM 244 CB GLU A 18 -8.589 -3.528 -5.503 1.00 1.43 C ATOM 245 CG GLU A 18 -7.971 -3.225 -6.859 1.00 1.29 C ATOM 246 CD GLU A 18 -6.774 -4.103 -7.160 1.00 2.13 C ATOM 247 OE1 GLU A 18 -5.866 -4.183 -6.307 1.00 2.88 O ATOM 248 OE2 GLU A 18 -6.741 -4.712 -8.251 1.00 2.56 O ATOM 0 H GLU A 18 -10.090 -5.055 -3.574 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.941 -5.532 -6.229 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -9.526 -2.979 -5.409 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.925 -3.161 -4.720 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -8.723 -3.362 -7.636 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.667 -2.179 -6.891 1.00 1.29 H new ATOM 255 N LYS A 19 -7.418 -5.150 -3.309 1.00 0.84 N ATOM 256 CA LYS A 19 -6.288 -5.657 -2.536 1.00 1.08 C ATOM 257 C LYS A 19 -6.697 -6.284 -1.203 1.00 0.87 C ATOM 258 O LYS A 19 -5.873 -6.931 -0.554 1.00 0.87 O ATOM 259 CB LYS A 19 -5.281 -4.532 -2.287 1.00 1.66 C ATOM 260 CG LYS A 19 -3.961 -5.010 -1.702 1.00 2.57 C ATOM 261 CD LYS A 19 -3.158 -5.815 -2.712 1.00 2.87 C ATOM 262 CE LYS A 19 -3.575 -7.275 -2.727 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.402 -8.187 -2.816 1.00 4.14 N ATOM 0 H LYS A 19 -7.958 -4.417 -2.849 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.836 -6.450 -3.132 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -5.086 -4.017 -3.227 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -5.725 -3.802 -1.610 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -3.376 -4.151 -1.373 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -4.154 -5.621 -0.820 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -3.292 -5.388 -3.706 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -2.097 -5.742 -2.474 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -4.142 -7.500 -1.823 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -4.239 -7.454 -3.573 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -2.657 -9.027 -3.373 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -1.612 -7.692 -3.277 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -2.116 -8.479 -1.860 1.00 4.14 H new ATOM 277 N ARG A 20 -7.944 -6.112 -0.781 1.00 0.98 N ATOM 278 CA ARG A 20 -8.366 -6.692 0.492 1.00 0.92 C ATOM 279 C ARG A 20 -8.368 -8.211 0.397 1.00 0.94 C ATOM 280 O ARG A 20 -7.301 -8.807 0.423 1.00 1.30 O ATOM 281 CB ARG A 20 -9.728 -6.162 0.935 1.00 0.95 C ATOM 282 CG ARG A 20 -10.246 -6.746 2.242 1.00 1.64 C ATOM 283 CD ARG A 20 -11.739 -6.506 2.413 1.00 2.15 C ATOM 284 NE ARG A 20 -12.522 -7.712 2.152 1.00 2.67 N ATOM 285 CZ ARG A 20 -12.760 -8.652 3.063 1.00 3.29 C ATOM 286 NH1 ARG A 20 -12.270 -8.536 4.291 1.00 3.51 N ATOM 287 NH2 ARG A 20 -13.489 -9.713 2.745 1.00 4.11 N ATOM 0 H ARG A 20 -8.664 -5.592 -1.283 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.649 -6.391 1.256 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -9.665 -5.079 1.037 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -10.455 -6.366 0.149 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -10.044 -7.817 2.267 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -9.708 -6.300 3.078 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -11.936 -6.158 3.427 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.058 -5.713 1.737 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.909 -7.841 1.217 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -11.707 -7.723 4.541 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -12.456 -9.260 4.985 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -13.867 -9.808 1.802 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -13.672 -10.434 3.443 1.00 4.11 H new ATOM 301 N LEU A 21 -9.541 -8.841 0.261 1.00 1.59 N ATOM 302 CA LEU A 21 -9.602 -10.294 0.172 1.00 1.80 C ATOM 303 C LEU A 21 -9.075 -10.760 -1.170 1.00 1.48 C ATOM 304 O LEU A 21 -9.815 -10.829 -2.151 1.00 2.41 O ATOM 305 CB LEU A 21 -11.044 -10.774 0.358 1.00 3.05 C ATOM 306 CG LEU A 21 -11.199 -12.068 1.159 1.00 3.76 C ATOM 307 CD1 LEU A 21 -10.738 -13.262 0.340 1.00 4.55 C ATOM 308 CD2 LEU A 21 -10.419 -11.983 2.464 1.00 4.31 C ATOM 0 H LEU A 21 -10.445 -8.371 0.211 1.00 1.59 H new ATOM 0 HA LEU A 21 -8.982 -10.717 0.962 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -11.611 -9.987 0.855 1.00 3.05 H new ATOM 0 HB3 LEU A 21 -11.492 -10.918 -0.625 1.00 3.05 H new ATOM 0 HG LEU A 21 -12.255 -12.201 1.396 1.00 3.76 H new ATOM 0 HD11 LEU A 21 -10.856 -14.173 0.927 1.00 4.55 H new ATOM 0 HD12 LEU A 21 -11.338 -13.334 -0.567 1.00 4.55 H new ATOM 0 HD13 LEU A 21 -9.689 -13.136 0.072 1.00 4.55 H new ATOM 0 HD21 LEU A 21 -10.540 -12.912 3.021 1.00 4.31 H new ATOM 0 HD22 LEU A 21 -9.363 -11.825 2.247 1.00 4.31 H new ATOM 0 HD23 LEU A 21 -10.795 -11.151 3.059 1.00 4.31 H new ATOM 320 N HIS A 22 -7.784 -11.095 -1.207 1.00 0.87 N ATOM 321 CA HIS A 22 -7.152 -11.572 -2.429 1.00 1.59 C ATOM 322 C HIS A 22 -6.257 -12.778 -2.140 1.00 1.16 C ATOM 323 O HIS A 22 -6.101 -13.187 -0.987 1.00 1.19 O ATOM 324 CB HIS A 22 -6.333 -10.457 -3.078 1.00 2.66 C ATOM 325 CG HIS A 22 -6.741 -10.160 -4.487 1.00 3.21 C ATOM 326 ND1 HIS A 22 -5.856 -10.159 -5.546 1.00 4.07 N ATOM 327 CD2 HIS A 22 -7.950 -9.855 -5.011 1.00 3.32 C ATOM 328 CE1 HIS A 22 -6.505 -9.866 -6.658 1.00 4.62 C ATOM 329 NE2 HIS A 22 -7.777 -9.676 -6.362 1.00 4.23 N ATOM 0 H HIS A 22 -7.159 -11.043 -0.402 1.00 0.87 H new ATOM 0 HA HIS A 22 -7.938 -11.879 -3.119 1.00 1.59 H new ATOM 0 HB2 HIS A 22 -6.431 -9.550 -2.481 1.00 2.66 H new ATOM 0 HB3 HIS A 22 -5.279 -10.736 -3.064 1.00 2.66 H new ATOM 0 HD2 HIS A 22 -8.879 -9.768 -4.468 1.00 3.32 H new ATOM 0 HE1 HIS A 22 -6.069 -9.794 -7.643 1.00 4.62 H new ATOM 0 HE2 HIS A 22 -8.512 -9.436 -7.028 1.00 4.23 H new ATOM 338 N ALA A 23 -5.657 -13.326 -3.191 1.00 1.06 N ATOM 339 CA ALA A 23 -4.760 -14.468 -3.053 1.00 0.93 C ATOM 340 C ALA A 23 -3.313 -14.046 -3.290 1.00 0.84 C ATOM 341 O ALA A 23 -3.024 -13.295 -4.222 1.00 0.97 O ATOM 342 CB ALA A 23 -5.158 -15.573 -4.021 1.00 1.21 C ATOM 0 H ALA A 23 -5.776 -12.997 -4.149 1.00 1.06 H new ATOM 0 HA ALA A 23 -4.843 -14.851 -2.036 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -4.480 -16.419 -3.907 1.00 1.21 H new ATOM 0 HB2 ALA A 23 -6.178 -15.894 -3.807 1.00 1.21 H new ATOM 0 HB3 ALA A 23 -5.102 -15.199 -5.043 1.00 1.21 H new ATOM 348 N VAL A 24 -2.406 -14.519 -2.440 1.00 0.78 N ATOM 349 CA VAL A 24 -0.994 -14.170 -2.570 1.00 0.74 C ATOM 350 C VAL A 24 -0.106 -15.416 -2.656 1.00 0.68 C ATOM 351 O VAL A 24 -0.145 -16.276 -1.776 1.00 0.77 O ATOM 352 CB VAL A 24 -0.526 -13.290 -1.391 1.00 0.81 C ATOM 353 CG1 VAL A 24 -0.468 -14.091 -0.098 1.00 1.32 C ATOM 354 CG2 VAL A 24 0.826 -12.665 -1.699 1.00 1.30 C ATOM 0 H VAL A 24 -2.620 -15.140 -1.660 1.00 0.78 H new ATOM 0 HA VAL A 24 -0.896 -13.608 -3.499 1.00 0.74 H new ATOM 0 HB VAL A 24 -1.254 -12.490 -1.255 1.00 0.81 H new ATOM 0 HG11 VAL A 24 -0.135 -13.446 0.715 1.00 1.32 H new ATOM 0 HG12 VAL A 24 -1.459 -14.483 0.132 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.232 -14.919 -0.214 1.00 1.32 H new ATOM 0 HG21 VAL A 24 1.142 -12.048 -0.858 1.00 1.30 H new ATOM 0 HG22 VAL A 24 1.561 -13.452 -1.867 1.00 1.30 H new ATOM 0 HG23 VAL A 24 0.746 -12.046 -2.593 1.00 1.30 H new ATOM 364 N PRO A 25 0.707 -15.533 -3.723 1.00 0.61 N ATOM 365 CA PRO A 25 1.601 -16.680 -3.911 1.00 0.63 C ATOM 366 C PRO A 25 2.834 -16.620 -3.013 1.00 0.57 C ATOM 367 O PRO A 25 3.462 -15.570 -2.876 1.00 0.52 O ATOM 368 CB PRO A 25 2.017 -16.566 -5.377 1.00 0.72 C ATOM 369 CG PRO A 25 1.920 -15.112 -5.689 1.00 0.71 C ATOM 370 CD PRO A 25 0.817 -14.561 -4.828 1.00 0.65 C ATOM 0 HA PRO A 25 1.108 -17.619 -3.657 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.031 -16.937 -5.530 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.362 -17.153 -6.021 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.863 -14.607 -5.481 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.702 -14.956 -6.745 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.058 -13.564 -4.460 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.118 -14.479 -5.382 1.00 0.65 H new ATOM 378 N ALA A 26 3.178 -17.754 -2.410 1.00 0.61 N ATOM 379 CA ALA A 26 4.342 -17.830 -1.534 1.00 0.60 C ATOM 380 C ALA A 26 5.637 -17.766 -2.342 1.00 0.54 C ATOM 381 O ALA A 26 5.725 -18.324 -3.434 1.00 0.58 O ATOM 382 CB ALA A 26 4.298 -19.104 -0.705 1.00 0.71 C ATOM 0 H ALA A 26 2.668 -18.632 -2.512 1.00 0.61 H new ATOM 0 HA ALA A 26 4.318 -16.973 -0.861 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.173 -19.146 -0.056 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.394 -19.111 -0.096 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.295 -19.969 -1.368 1.00 0.71 H new ATOM 388 N ALA A 27 6.638 -17.082 -1.797 1.00 0.50 N ATOM 389 CA ALA A 27 7.928 -16.943 -2.467 1.00 0.48 C ATOM 390 C ALA A 27 7.819 -16.052 -3.700 1.00 0.43 C ATOM 391 O ALA A 27 8.632 -16.143 -4.620 1.00 0.46 O ATOM 392 CB ALA A 27 8.471 -18.312 -2.849 1.00 0.55 C ATOM 0 H ALA A 27 6.581 -16.615 -0.892 1.00 0.50 H new ATOM 0 HA ALA A 27 8.620 -16.468 -1.772 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.433 -18.196 -3.348 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.599 -18.916 -1.951 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.771 -18.806 -3.522 1.00 0.55 H new ATOM 398 N ASN A 28 6.806 -15.194 -3.713 1.00 0.39 N ATOM 399 CA ASN A 28 6.575 -14.282 -4.828 1.00 0.36 C ATOM 400 C ASN A 28 6.525 -12.835 -4.349 1.00 0.30 C ATOM 401 O ASN A 28 6.466 -12.574 -3.148 1.00 0.29 O ATOM 402 CB ASN A 28 5.274 -14.642 -5.543 1.00 0.40 C ATOM 403 CG ASN A 28 5.500 -15.542 -6.742 1.00 0.77 C ATOM 404 OD1 ASN A 28 6.063 -16.631 -6.619 1.00 1.42 O ATOM 405 ND2 ASN A 28 5.061 -15.089 -7.911 1.00 1.36 N ATOM 0 H ASN A 28 6.126 -15.110 -2.957 1.00 0.39 H new ATOM 0 HA ASN A 28 7.406 -14.383 -5.526 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.603 -15.138 -4.842 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.777 -13.728 -5.868 1.00 0.40 H new ATOM 0 HD21 ASN A 28 5.185 -15.650 -8.754 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.600 -14.181 -7.965 1.00 1.36 H new ATOM 412 N THR A 29 6.539 -11.896 -5.291 1.00 0.30 N ATOM 413 CA THR A 29 6.486 -10.480 -4.952 1.00 0.28 C ATOM 414 C THR A 29 5.052 -10.079 -4.622 1.00 0.30 C ATOM 415 O THR A 29 4.106 -10.568 -5.239 1.00 0.33 O ATOM 416 CB THR A 29 7.005 -9.599 -6.106 1.00 0.32 C ATOM 417 OG1 THR A 29 6.107 -9.671 -7.221 1.00 0.96 O ATOM 418 CG2 THR A 29 8.394 -10.042 -6.541 1.00 0.92 C ATOM 0 H THR A 29 6.586 -12.090 -6.291 1.00 0.30 H new ATOM 0 HA THR A 29 7.129 -10.324 -4.086 1.00 0.28 H new ATOM 0 HB THR A 29 7.061 -8.570 -5.751 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.443 -9.107 -7.949 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.740 -9.406 -7.356 1.00 0.92 H new ATOM 0 HG22 THR A 29 9.082 -9.960 -5.700 1.00 0.92 H new ATOM 0 HG23 THR A 29 8.356 -11.077 -6.879 1.00 0.92 H new ATOM 426 N VAL A 30 4.892 -9.216 -3.624 1.00 0.33 N ATOM 427 CA VAL A 30 3.564 -8.794 -3.197 1.00 0.39 C ATOM 428 C VAL A 30 3.083 -7.528 -3.898 1.00 0.35 C ATOM 429 O VAL A 30 3.696 -6.464 -3.795 1.00 0.35 O ATOM 430 CB VAL A 30 3.512 -8.567 -1.675 1.00 0.47 C ATOM 431 CG1 VAL A 30 2.074 -8.378 -1.213 1.00 0.56 C ATOM 432 CG2 VAL A 30 4.169 -9.725 -0.941 1.00 0.57 C ATOM 0 H VAL A 30 5.660 -8.798 -3.099 1.00 0.33 H new ATOM 0 HA VAL A 30 2.898 -9.610 -3.477 1.00 0.39 H new ATOM 0 HB VAL A 30 4.066 -7.658 -1.441 1.00 0.47 H new ATOM 0 HG11 VAL A 30 2.056 -8.219 -0.135 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.641 -7.512 -1.715 1.00 0.56 H new ATOM 0 HG13 VAL A 30 1.493 -9.267 -1.458 1.00 0.56 H new ATOM 0 HG21 VAL A 30 4.123 -9.548 0.133 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.645 -10.651 -1.179 1.00 0.57 H new ATOM 0 HG23 VAL A 30 5.211 -9.808 -1.251 1.00 0.57 H new ATOM 442 N LYS A 31 1.957 -7.663 -4.589 1.00 0.34 N ATOM 443 CA LYS A 31 1.342 -6.544 -5.294 1.00 0.33 C ATOM 444 C LYS A 31 0.422 -5.784 -4.342 1.00 0.33 C ATOM 445 O LYS A 31 -0.483 -6.367 -3.749 1.00 0.38 O ATOM 446 CB LYS A 31 0.559 -7.048 -6.519 1.00 0.38 C ATOM 447 CG LYS A 31 -0.485 -6.070 -7.051 1.00 0.60 C ATOM 448 CD LYS A 31 -1.836 -6.277 -6.378 1.00 0.82 C ATOM 449 CE LYS A 31 -2.812 -6.996 -7.295 1.00 1.34 C ATOM 450 NZ LYS A 31 -4.220 -6.846 -6.834 1.00 1.98 N ATOM 0 H LYS A 31 1.448 -8.543 -4.676 1.00 0.34 H new ATOM 0 HA LYS A 31 2.122 -5.869 -5.646 1.00 0.33 H new ATOM 0 HB2 LYS A 31 1.266 -7.275 -7.317 1.00 0.38 H new ATOM 0 HB3 LYS A 31 0.063 -7.982 -6.257 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.146 -5.048 -6.883 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.590 -6.198 -8.128 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -1.703 -6.854 -5.463 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.251 -5.312 -6.089 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -2.717 -6.602 -8.307 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -2.555 -8.054 -7.340 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -4.864 -7.232 -7.554 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -4.350 -7.362 -5.941 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -4.431 -5.839 -6.685 1.00 1.98 H new ATOM 464 N PHE A 32 0.656 -4.484 -4.196 1.00 0.31 N ATOM 465 CA PHE A 32 -0.167 -3.667 -3.312 1.00 0.35 C ATOM 466 C PHE A 32 -0.729 -2.459 -4.050 1.00 0.32 C ATOM 467 O PHE A 32 0.016 -1.629 -4.569 1.00 0.32 O ATOM 468 CB PHE A 32 0.646 -3.212 -2.099 1.00 0.44 C ATOM 469 CG PHE A 32 0.682 -4.228 -0.995 1.00 0.90 C ATOM 470 CD1 PHE A 32 -0.481 -4.854 -0.577 1.00 1.64 C ATOM 471 CD2 PHE A 32 1.877 -4.561 -0.379 1.00 1.21 C ATOM 472 CE1 PHE A 32 -0.454 -5.794 0.435 1.00 2.28 C ATOM 473 CE2 PHE A 32 1.910 -5.500 0.636 1.00 1.91 C ATOM 474 CZ PHE A 32 0.743 -6.116 1.043 1.00 2.35 C ATOM 0 H PHE A 32 1.401 -3.977 -4.673 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.003 -4.277 -2.970 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.666 -2.993 -2.415 1.00 0.44 H new ATOM 0 HB3 PHE A 32 0.224 -2.283 -1.715 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.420 -4.604 -1.048 1.00 1.64 H new ATOM 0 HD2 PHE A 32 2.792 -4.083 -0.694 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -1.368 -6.276 0.750 1.00 2.28 H new ATOM 0 HE2 PHE A 32 2.847 -5.751 1.110 1.00 1.91 H new ATOM 0 HZ PHE A 32 0.767 -6.849 1.836 1.00 2.35 H new ATOM 484 N ARG A 33 -2.053 -2.386 -4.109 1.00 0.36 N ATOM 485 CA ARG A 33 -2.728 -1.297 -4.801 1.00 0.39 C ATOM 486 C ARG A 33 -3.431 -0.352 -3.829 1.00 0.40 C ATOM 487 O ARG A 33 -4.119 -0.786 -2.906 1.00 0.43 O ATOM 488 CB ARG A 33 -3.730 -1.862 -5.810 1.00 0.47 C ATOM 489 CG ARG A 33 -3.251 -1.777 -7.250 1.00 0.80 C ATOM 490 CD ARG A 33 -2.040 -2.665 -7.484 1.00 0.53 C ATOM 491 NE ARG A 33 -1.907 -3.053 -8.885 1.00 1.09 N ATOM 492 CZ ARG A 33 -2.680 -3.958 -9.474 1.00 1.56 C ATOM 493 NH1 ARG A 33 -3.639 -4.562 -8.786 1.00 2.10 N ATOM 494 NH2 ARG A 33 -2.497 -4.261 -10.752 1.00 2.12 N ATOM 0 H ARG A 33 -2.681 -3.069 -3.685 1.00 0.36 H new ATOM 0 HA ARG A 33 -1.970 -0.717 -5.327 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -3.934 -2.904 -5.564 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.672 -1.322 -5.716 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.057 -2.074 -7.921 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -2.999 -0.744 -7.491 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.139 -2.140 -7.166 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.122 -3.560 -6.867 1.00 0.53 H new ATOM 0 HE ARG A 33 -1.180 -2.604 -9.442 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -3.784 -4.332 -7.803 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -4.232 -5.257 -9.240 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.761 -3.799 -11.285 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -3.092 -4.957 -11.202 1.00 2.12 H new ATOM 508 N CYS A 34 -3.253 0.944 -4.061 1.00 0.39 N ATOM 509 CA CYS A 34 -3.865 1.979 -3.233 1.00 0.41 C ATOM 510 C CYS A 34 -4.169 3.213 -4.083 1.00 0.41 C ATOM 511 O CYS A 34 -3.587 4.279 -3.877 1.00 0.47 O ATOM 512 CB CYS A 34 -2.936 2.353 -2.071 1.00 0.44 C ATOM 513 SG CYS A 34 -3.792 2.632 -0.485 1.00 0.94 S ATOM 0 H CYS A 34 -2.683 1.307 -4.825 1.00 0.39 H new ATOM 0 HA CYS A 34 -4.797 1.593 -2.820 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.201 1.559 -1.939 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.386 3.256 -2.337 1.00 0.44 H new ATOM 518 N PRO A 35 -5.079 3.075 -5.065 1.00 0.41 N ATOM 519 CA PRO A 35 -5.448 4.174 -5.966 1.00 0.44 C ATOM 520 C PRO A 35 -6.245 5.277 -5.276 1.00 0.34 C ATOM 521 O PRO A 35 -7.356 5.048 -4.791 1.00 0.34 O ATOM 522 CB PRO A 35 -6.303 3.488 -7.033 1.00 0.57 C ATOM 523 CG PRO A 35 -6.859 2.284 -6.357 1.00 0.54 C ATOM 524 CD PRO A 35 -5.804 1.831 -5.387 1.00 0.44 C ATOM 0 HA PRO A 35 -4.565 4.678 -6.358 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -7.097 4.145 -7.387 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.706 3.213 -7.902 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.789 2.521 -5.840 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -7.087 1.501 -7.080 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.243 1.380 -4.497 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.145 1.085 -5.830 1.00 0.44 H new ATOM 532 N ALA A 36 -5.676 6.476 -5.251 1.00 0.35 N ATOM 533 CA ALA A 36 -6.328 7.625 -4.638 1.00 0.33 C ATOM 534 C ALA A 36 -6.020 8.899 -5.422 1.00 0.32 C ATOM 535 O ALA A 36 -4.869 9.327 -5.498 1.00 0.38 O ATOM 536 CB ALA A 36 -5.893 7.770 -3.187 1.00 0.40 C ATOM 0 H ALA A 36 -4.759 6.678 -5.651 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.406 7.463 -4.660 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.389 8.633 -2.743 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.165 6.871 -2.634 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -4.813 7.910 -3.143 1.00 0.40 H new ATOM 542 N GLY A 37 -7.051 9.494 -6.018 1.00 0.33 N ATOM 543 CA GLY A 37 -6.857 10.702 -6.802 1.00 0.36 C ATOM 544 C GLY A 37 -6.847 11.966 -5.963 1.00 0.35 C ATOM 545 O GLY A 37 -7.780 12.227 -5.208 1.00 0.37 O ATOM 0 H GLY A 37 -8.014 9.162 -5.972 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.915 10.627 -7.345 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.649 10.775 -7.547 1.00 0.36 H new ATOM 549 N GLY A 38 -5.787 12.756 -6.123 1.00 0.36 N ATOM 550 CA GLY A 38 -5.641 14.007 -5.393 1.00 0.39 C ATOM 551 C GLY A 38 -4.486 14.822 -5.942 1.00 0.37 C ATOM 552 O GLY A 38 -4.192 14.742 -7.135 1.00 0.42 O ATOM 0 H GLY A 38 -5.015 12.548 -6.756 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.564 14.583 -5.463 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.474 13.799 -4.336 1.00 0.39 H new ATOM 556 N ASN A 39 -3.808 15.599 -5.096 1.00 0.40 N ATOM 557 CA ASN A 39 -2.675 16.386 -5.585 1.00 0.47 C ATOM 558 C ASN A 39 -1.407 15.529 -5.625 1.00 0.36 C ATOM 559 O ASN A 39 -1.430 14.363 -5.231 1.00 0.34 O ATOM 560 CB ASN A 39 -2.461 17.659 -4.754 1.00 0.70 C ATOM 561 CG ASN A 39 -2.693 18.916 -5.573 1.00 2.04 C ATOM 562 OD1 ASN A 39 -1.820 19.772 -5.686 1.00 2.41 O ATOM 563 ND2 ASN A 39 -3.883 19.031 -6.149 1.00 2.89 N ATOM 0 H ASN A 39 -4.013 15.700 -4.102 1.00 0.40 H new ATOM 0 HA ASN A 39 -2.906 16.707 -6.601 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -3.138 17.653 -3.899 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.446 17.667 -4.357 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -4.100 19.854 -6.711 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -4.580 18.296 -6.030 1.00 2.89 H new ATOM 570 N PRO A 40 -0.291 16.077 -6.140 1.00 0.39 N ATOM 571 CA PRO A 40 0.976 15.344 -6.273 1.00 0.39 C ATOM 572 C PRO A 40 1.819 15.301 -5.001 1.00 0.34 C ATOM 573 O PRO A 40 3.030 15.095 -5.067 1.00 0.40 O ATOM 574 CB PRO A 40 1.700 16.149 -7.341 1.00 0.51 C ATOM 575 CG PRO A 40 1.266 17.545 -7.076 1.00 0.52 C ATOM 576 CD PRO A 40 -0.179 17.448 -6.674 1.00 0.53 C ATOM 0 HA PRO A 40 0.801 14.294 -6.506 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.782 16.043 -7.260 1.00 0.51 H new ATOM 0 HB3 PRO A 40 1.423 15.826 -8.344 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.864 17.998 -6.285 1.00 0.52 H new ATOM 0 HG3 PRO A 40 1.386 18.168 -7.962 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.439 18.195 -5.924 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -0.844 17.605 -7.523 1.00 0.53 H new ATOM 584 N MET A 41 1.194 15.484 -3.844 1.00 0.31 N ATOM 585 CA MET A 41 1.931 15.446 -2.585 1.00 0.33 C ATOM 586 C MET A 41 1.351 14.392 -1.649 1.00 0.32 C ATOM 587 O MET A 41 0.716 14.727 -0.657 1.00 0.36 O ATOM 588 CB MET A 41 1.870 16.816 -1.908 1.00 0.39 C ATOM 589 CG MET A 41 2.868 16.983 -0.774 1.00 0.47 C ATOM 590 SD MET A 41 3.381 18.697 -0.545 1.00 1.30 S ATOM 591 CE MET A 41 4.211 18.590 1.040 1.00 1.83 C ATOM 0 H MET A 41 0.193 15.658 -3.750 1.00 0.31 H new ATOM 0 HA MET A 41 2.967 15.188 -2.802 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.050 17.589 -2.655 1.00 0.39 H new ATOM 0 HB3 MET A 41 0.864 16.975 -1.521 1.00 0.39 H new ATOM 0 HG2 MET A 41 2.426 16.614 0.151 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.746 16.369 -0.975 1.00 0.47 H new ATOM 0 HE1 MET A 41 4.586 19.574 1.321 1.00 1.83 H new ATOM 0 HE2 MET A 41 3.508 18.240 1.796 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.044 17.891 0.968 1.00 1.83 H new ATOM 601 N PRO A 42 1.559 13.102 -1.951 1.00 0.32 N ATOM 602 CA PRO A 42 1.040 12.007 -1.140 1.00 0.34 C ATOM 603 C PRO A 42 2.015 11.518 -0.075 1.00 0.35 C ATOM 604 O PRO A 42 3.183 11.253 -0.361 1.00 0.43 O ATOM 605 CB PRO A 42 0.824 10.923 -2.189 1.00 0.40 C ATOM 606 CG PRO A 42 1.935 11.129 -3.171 1.00 0.42 C ATOM 607 CD PRO A 42 2.298 12.597 -3.122 1.00 0.36 C ATOM 0 HA PRO A 42 0.155 12.298 -0.574 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.864 9.928 -1.746 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.151 11.020 -2.666 1.00 0.40 H new ATOM 0 HG2 PRO A 42 2.795 10.510 -2.916 1.00 0.42 H new ATOM 0 HG3 PRO A 42 1.621 10.842 -4.175 1.00 0.42 H new ATOM 0 HD2 PRO A 42 3.373 12.740 -3.009 1.00 0.36 H new ATOM 0 HD3 PRO A 42 2.002 13.113 -4.035 1.00 0.36 H new ATOM 615 N THR A 43 1.516 11.368 1.149 1.00 0.32 N ATOM 616 CA THR A 43 2.330 10.872 2.250 1.00 0.35 C ATOM 617 C THR A 43 1.612 9.705 2.913 1.00 0.37 C ATOM 618 O THR A 43 0.660 9.901 3.660 1.00 0.48 O ATOM 619 CB THR A 43 2.596 11.970 3.299 1.00 0.41 C ATOM 620 OG1 THR A 43 2.279 13.256 2.752 1.00 0.94 O ATOM 621 CG2 THR A 43 4.051 11.951 3.748 1.00 1.00 C ATOM 0 H THR A 43 0.551 11.583 1.401 1.00 0.32 H new ATOM 0 HA THR A 43 3.291 10.552 1.847 1.00 0.35 H new ATOM 0 HB THR A 43 1.963 11.775 4.164 1.00 0.41 H new ATOM 0 HG1 THR A 43 2.449 13.948 3.424 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.214 12.735 4.488 1.00 1.00 H new ATOM 0 HG22 THR A 43 4.283 10.982 4.189 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.699 12.123 2.889 1.00 1.00 H new ATOM 629 N MET A 44 2.051 8.487 2.611 1.00 0.35 N ATOM 630 CA MET A 44 1.407 7.296 3.157 1.00 0.41 C ATOM 631 C MET A 44 2.371 6.418 3.944 1.00 0.38 C ATOM 632 O MET A 44 3.573 6.389 3.681 1.00 0.40 O ATOM 633 CB MET A 44 0.772 6.481 2.027 1.00 0.49 C ATOM 634 CG MET A 44 1.711 6.225 0.859 1.00 0.86 C ATOM 635 SD MET A 44 1.823 4.477 0.429 1.00 1.82 S ATOM 636 CE MET A 44 0.089 4.030 0.376 1.00 2.30 C ATOM 0 H MET A 44 2.843 8.299 1.997 1.00 0.35 H new ATOM 0 HA MET A 44 0.639 7.637 3.851 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.433 5.525 2.426 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.111 7.006 1.664 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.367 6.787 -0.009 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.704 6.599 1.108 1.00 0.86 H new ATOM 0 HE1 MET A 44 -0.031 3.106 -0.190 1.00 2.30 H new ATOM 0 HE2 MET A 44 -0.280 3.884 1.391 1.00 2.30 H new ATOM 0 HE3 MET A 44 -0.478 4.827 -0.106 1.00 2.30 H new ATOM 646 N ARG A 45 1.813 5.682 4.900 1.00 0.36 N ATOM 647 CA ARG A 45 2.588 4.768 5.729 1.00 0.34 C ATOM 648 C ARG A 45 2.206 3.328 5.398 1.00 0.32 C ATOM 649 O ARG A 45 1.058 3.046 5.038 1.00 0.34 O ATOM 650 CB ARG A 45 2.375 5.042 7.226 1.00 0.37 C ATOM 651 CG ARG A 45 1.775 6.408 7.537 1.00 0.66 C ATOM 652 CD ARG A 45 2.236 6.924 8.890 1.00 0.88 C ATOM 653 NE ARG A 45 1.175 7.643 9.590 1.00 1.57 N ATOM 654 CZ ARG A 45 1.335 8.218 10.778 1.00 2.04 C ATOM 655 NH1 ARG A 45 2.504 8.150 11.398 1.00 2.22 N ATOM 656 NH2 ARG A 45 0.324 8.860 11.347 1.00 2.89 N ATOM 0 H ARG A 45 0.817 5.702 5.120 1.00 0.36 H new ATOM 0 HA ARG A 45 3.645 4.926 5.513 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.722 4.271 7.635 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.333 4.954 7.739 1.00 0.37 H new ATOM 0 HG2 ARG A 45 2.060 7.117 6.760 1.00 0.66 H new ATOM 0 HG3 ARG A 45 0.687 6.340 7.524 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.572 6.087 9.502 1.00 0.88 H new ATOM 0 HD3 ARG A 45 3.093 7.584 8.754 1.00 0.88 H new ATOM 0 HE ARG A 45 0.261 7.708 9.143 1.00 1.57 H new ATOM 0 HH11 ARG A 45 3.284 7.656 10.964 1.00 2.22 H new ATOM 0 HH12 ARG A 45 2.624 8.592 12.309 1.00 2.22 H new ATOM 0 HH21 ARG A 45 -0.578 8.913 10.873 1.00 2.89 H new ATOM 0 HH22 ARG A 45 0.448 9.301 12.258 1.00 2.89 H new ATOM 670 N TRP A 46 3.172 2.422 5.517 1.00 0.31 N ATOM 671 CA TRP A 46 2.936 1.014 5.220 1.00 0.31 C ATOM 672 C TRP A 46 2.915 0.173 6.492 1.00 0.26 C ATOM 673 O TRP A 46 3.903 0.116 7.230 1.00 0.29 O ATOM 674 CB TRP A 46 4.010 0.488 4.266 1.00 0.39 C ATOM 675 CG TRP A 46 4.390 1.467 3.199 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.969 1.469 1.899 1.00 1.52 C ATOM 677 CD2 TRP A 46 5.270 2.590 3.336 1.00 1.34 C ATOM 678 NE1 TRP A 46 4.532 2.522 1.221 1.00 1.62 N ATOM 679 CE2 TRP A 46 5.335 3.225 2.081 1.00 1.46 C ATOM 680 CE3 TRP A 46 6.006 3.120 4.398 1.00 2.43 C ATOM 681 CZ2 TRP A 46 6.107 4.363 1.861 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.774 4.249 4.179 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.819 4.860 2.920 1.00 3.02 C ATOM 0 H TRP A 46 4.123 2.637 5.816 1.00 0.31 H new ATOM 0 HA TRP A 46 1.959 0.933 4.744 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.898 0.225 4.840 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.651 -0.428 3.797 1.00 0.39 H new ATOM 0 HD1 TRP A 46 3.292 0.747 1.467 1.00 1.52 H new ATOM 0 HE1 TRP A 46 4.378 2.745 0.238 1.00 1.62 H new ATOM 0 HE3 TRP A 46 5.976 2.656 5.373 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 6.143 4.836 0.891 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.349 4.666 4.993 1.00 3.28 H new ATOM 0 HH2 TRP A 46 7.428 5.741 2.781 1.00 3.02 H new ATOM 694 N LEU A 47 1.786 -0.488 6.730 1.00 0.25 N ATOM 695 CA LEU A 47 1.624 -1.340 7.901 1.00 0.26 C ATOM 696 C LEU A 47 1.066 -2.698 7.490 1.00 0.24 C ATOM 697 O LEU A 47 -0.003 -2.782 6.888 1.00 0.31 O ATOM 698 CB LEU A 47 0.697 -0.678 8.921 1.00 0.37 C ATOM 699 CG LEU A 47 0.889 -1.140 10.365 1.00 0.80 C ATOM 700 CD1 LEU A 47 2.323 -0.902 10.815 1.00 1.58 C ATOM 701 CD2 LEU A 47 -0.088 -0.425 11.288 1.00 1.53 C ATOM 0 H LEU A 47 0.967 -0.449 6.124 1.00 0.25 H new ATOM 0 HA LEU A 47 2.601 -1.484 8.362 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.846 0.401 8.878 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.336 -0.869 8.629 1.00 0.37 H new ATOM 0 HG LEU A 47 0.687 -2.210 10.414 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.441 -1.237 11.846 1.00 1.58 H new ATOM 0 HD12 LEU A 47 3.004 -1.460 10.172 1.00 1.58 H new ATOM 0 HD13 LEU A 47 2.553 0.162 10.751 1.00 1.58 H new ATOM 0 HD21 LEU A 47 0.063 -0.766 12.312 1.00 1.53 H new ATOM 0 HD22 LEU A 47 0.082 0.650 11.235 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -1.109 -0.647 10.979 1.00 1.53 H new ATOM 713 N LYS A 48 1.797 -3.755 7.811 1.00 0.22 N ATOM 714 CA LYS A 48 1.382 -5.109 7.463 1.00 0.25 C ATOM 715 C LYS A 48 1.350 -6.008 8.695 1.00 0.26 C ATOM 716 O LYS A 48 2.381 -6.257 9.321 1.00 0.31 O ATOM 717 CB LYS A 48 2.322 -5.704 6.404 1.00 0.34 C ATOM 718 CG LYS A 48 3.706 -5.066 6.369 1.00 0.41 C ATOM 719 CD LYS A 48 4.469 -5.453 5.112 1.00 0.88 C ATOM 720 CE LYS A 48 4.673 -6.957 5.024 1.00 0.73 C ATOM 721 NZ LYS A 48 5.289 -7.358 3.730 1.00 1.37 N ATOM 0 H LYS A 48 2.683 -3.703 8.313 1.00 0.22 H new ATOM 0 HA LYS A 48 0.374 -5.053 7.052 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.431 -6.772 6.590 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.860 -5.597 5.423 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.609 -3.981 6.417 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.272 -5.374 7.248 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.924 -5.107 4.234 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.437 -4.953 5.104 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.309 -7.286 5.846 1.00 0.73 H new ATOM 0 HE3 LYS A 48 3.714 -7.461 5.141 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 4.820 -8.215 3.373 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 5.177 -6.589 3.039 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 6.301 -7.551 3.872 1.00 1.37 H new ATOM 735 N ASN A 49 0.160 -6.495 9.035 1.00 0.28 N ATOM 736 CA ASN A 49 -0.010 -7.372 10.191 1.00 0.35 C ATOM 737 C ASN A 49 0.707 -6.815 11.418 1.00 0.39 C ATOM 738 O ASN A 49 1.346 -7.554 12.165 1.00 0.50 O ATOM 739 CB ASN A 49 0.517 -8.773 9.873 1.00 0.38 C ATOM 740 CG ASN A 49 -0.195 -9.855 10.661 1.00 0.75 C ATOM 741 OD1 ASN A 49 -0.832 -10.740 10.088 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.089 -9.791 11.983 1.00 1.32 N ATOM 0 H ASN A 49 -0.702 -6.297 8.526 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.075 -7.429 10.415 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.400 -8.968 8.807 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.585 -8.814 10.089 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -0.545 -10.493 12.566 1.00 1.32 H new ATOM 0 HD22 ASN A 49 0.449 -9.040 12.416 1.00 1.32 H new ATOM 749 N GLY A 50 0.601 -5.505 11.614 1.00 0.38 N ATOM 750 CA GLY A 50 1.251 -4.873 12.747 1.00 0.45 C ATOM 751 C GLY A 50 2.731 -4.655 12.509 1.00 0.48 C ATOM 752 O GLY A 50 3.509 -4.538 13.457 1.00 0.68 O ATOM 0 H GLY A 50 0.078 -4.871 11.010 1.00 0.38 H new ATOM 0 HA2 GLY A 50 0.772 -3.915 12.950 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.115 -5.492 13.634 1.00 0.45 H new ATOM 756 N LYS A 51 3.118 -4.604 11.238 1.00 0.36 N ATOM 757 CA LYS A 51 4.513 -4.402 10.869 1.00 0.39 C ATOM 758 C LYS A 51 4.658 -3.185 9.963 1.00 0.38 C ATOM 759 O LYS A 51 3.966 -3.064 8.956 1.00 0.39 O ATOM 760 CB LYS A 51 5.060 -5.645 10.164 1.00 0.42 C ATOM 761 CG LYS A 51 6.558 -5.591 9.907 1.00 0.53 C ATOM 762 CD LYS A 51 6.882 -4.755 8.679 1.00 0.75 C ATOM 763 CE LYS A 51 7.571 -5.585 7.606 1.00 0.82 C ATOM 764 NZ LYS A 51 8.752 -6.316 8.143 1.00 1.36 N ATOM 0 H LYS A 51 2.483 -4.700 10.446 1.00 0.36 H new ATOM 0 HA LYS A 51 5.086 -4.229 11.780 1.00 0.39 H new ATOM 0 HB2 LYS A 51 4.835 -6.524 10.769 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.541 -5.771 9.214 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.063 -5.172 10.777 1.00 0.53 H new ATOM 0 HG3 LYS A 51 6.942 -6.602 9.772 1.00 0.53 H new ATOM 0 HD2 LYS A 51 5.964 -4.327 8.276 1.00 0.75 H new ATOM 0 HD3 LYS A 51 7.524 -3.921 8.964 1.00 0.75 H new ATOM 0 HE2 LYS A 51 6.861 -6.299 7.188 1.00 0.82 H new ATOM 0 HE3 LYS A 51 7.887 -4.934 6.790 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 9.607 -6.017 7.632 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 8.861 -6.103 9.155 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 8.614 -7.339 8.017 1.00 1.36 H new ATOM 778 N GLU A 52 5.572 -2.293 10.318 1.00 0.38 N ATOM 779 CA GLU A 52 5.810 -1.096 9.523 1.00 0.39 C ATOM 780 C GLU A 52 7.082 -1.254 8.700 1.00 0.43 C ATOM 781 O GLU A 52 8.075 -1.799 9.181 1.00 0.49 O ATOM 782 CB GLU A 52 5.919 0.135 10.428 1.00 0.44 C ATOM 783 CG GLU A 52 6.905 -0.036 11.572 1.00 1.03 C ATOM 784 CD GLU A 52 6.224 -0.094 12.925 1.00 1.38 C ATOM 785 OE1 GLU A 52 5.467 -1.058 13.167 1.00 1.90 O ATOM 786 OE2 GLU A 52 6.446 0.825 13.740 1.00 1.71 O ATOM 0 H GLU A 52 6.159 -2.375 11.148 1.00 0.38 H new ATOM 0 HA GLU A 52 4.967 -0.958 8.846 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.219 0.993 9.826 1.00 0.44 H new ATOM 0 HB3 GLU A 52 4.935 0.362 10.838 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.479 -0.950 11.419 1.00 1.03 H new ATOM 0 HG3 GLU A 52 7.615 0.791 11.562 1.00 1.03 H new ATOM 793 N PHE A 53 7.053 -0.775 7.463 1.00 0.43 N ATOM 794 CA PHE A 53 8.219 -0.873 6.591 1.00 0.50 C ATOM 795 C PHE A 53 8.432 0.418 5.807 1.00 0.56 C ATOM 796 O PHE A 53 7.475 1.061 5.377 1.00 0.70 O ATOM 797 CB PHE A 53 8.070 -2.054 5.630 1.00 0.57 C ATOM 798 CG PHE A 53 9.216 -3.026 5.687 1.00 1.46 C ATOM 799 CD1 PHE A 53 9.824 -3.332 6.896 1.00 2.42 C ATOM 800 CD2 PHE A 53 9.686 -3.633 4.533 1.00 1.99 C ATOM 801 CE1 PHE A 53 10.876 -4.225 6.953 1.00 3.55 C ATOM 802 CE2 PHE A 53 10.741 -4.527 4.584 1.00 3.14 C ATOM 803 CZ PHE A 53 11.339 -4.819 5.798 1.00 3.85 C ATOM 0 H PHE A 53 6.243 -0.319 7.043 1.00 0.43 H new ATOM 0 HA PHE A 53 9.094 -1.037 7.220 1.00 0.50 H new ATOM 0 HB2 PHE A 53 7.145 -2.583 5.858 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.977 -1.674 4.613 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.470 -2.866 7.804 1.00 2.42 H new ATOM 0 HD2 PHE A 53 9.224 -3.406 3.584 1.00 1.99 H new ATOM 0 HE1 PHE A 53 11.336 -4.458 7.902 1.00 3.55 H new ATOM 0 HE2 PHE A 53 11.097 -4.996 3.679 1.00 3.14 H new ATOM 0 HZ PHE A 53 12.167 -5.511 5.840 1.00 3.85 H new ATOM 813 N LYS A 54 9.696 0.788 5.623 1.00 0.64 N ATOM 814 CA LYS A 54 10.039 1.999 4.888 1.00 0.77 C ATOM 815 C LYS A 54 10.310 1.680 3.421 1.00 1.29 C ATOM 816 O LYS A 54 10.832 0.614 3.094 1.00 1.12 O ATOM 817 CB LYS A 54 11.265 2.670 5.513 1.00 0.86 C ATOM 818 CG LYS A 54 10.938 3.945 6.273 1.00 1.43 C ATOM 819 CD LYS A 54 11.116 3.760 7.772 1.00 1.82 C ATOM 820 CE LYS A 54 10.202 2.673 8.312 1.00 2.44 C ATOM 821 NZ LYS A 54 9.779 2.950 9.714 1.00 3.19 N ATOM 0 H LYS A 54 10.499 0.266 5.973 1.00 0.64 H new ATOM 0 HA LYS A 54 9.193 2.684 4.944 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.748 1.966 6.191 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.984 2.900 4.727 1.00 0.86 H new ATOM 0 HG2 LYS A 54 11.582 4.753 5.926 1.00 1.43 H new ATOM 0 HG3 LYS A 54 9.911 4.243 6.061 1.00 1.43 H new ATOM 0 HD2 LYS A 54 12.154 3.504 7.987 1.00 1.82 H new ATOM 0 HD3 LYS A 54 10.907 4.700 8.283 1.00 1.82 H new ATOM 0 HE2 LYS A 54 9.321 2.591 7.676 1.00 2.44 H new ATOM 0 HE3 LYS A 54 10.716 1.713 8.271 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 9.157 2.186 10.046 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 10.618 3.004 10.326 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 9.266 3.854 9.750 1.00 3.19 H new ATOM 835 N GLN A 55 9.952 2.609 2.542 1.00 2.12 N ATOM 836 CA GLN A 55 10.155 2.425 1.109 1.00 2.84 C ATOM 837 C GLN A 55 11.641 2.336 0.772 1.00 2.74 C ATOM 838 O GLN A 55 12.021 1.779 -0.259 1.00 3.04 O ATOM 839 CB GLN A 55 9.514 3.576 0.333 1.00 3.80 C ATOM 840 CG GLN A 55 9.456 3.340 -1.168 1.00 4.05 C ATOM 841 CD GLN A 55 9.480 4.634 -1.960 1.00 4.76 C ATOM 842 OE1 GLN A 55 8.342 5.321 -2.004 1.00 5.13 O flip ATOM 843 NE2 GLN A 55 10.504 5.011 -2.527 1.00 5.27 N flip ATOM 0 H GLN A 55 9.520 3.497 2.796 1.00 2.12 H new ATOM 0 HA GLN A 55 9.681 1.487 0.819 1.00 2.84 H new ATOM 0 HB2 GLN A 55 8.503 3.736 0.707 1.00 3.80 H new ATOM 0 HB3 GLN A 55 10.074 4.491 0.527 1.00 3.80 H new ATOM 0 HG2 GLN A 55 10.300 2.718 -1.468 1.00 4.05 H new ATOM 0 HG3 GLN A 55 8.549 2.786 -1.411 1.00 4.05 H new ATOM 0 HE21 GLN A 55 11.355 4.452 -2.467 1.00 5.27 H new ATOM 0 HE22 GLN A 55 10.502 5.882 -3.057 1.00 5.27 H new ATOM 852 N GLU A 56 12.478 2.888 1.644 1.00 2.55 N ATOM 853 CA GLU A 56 13.921 2.872 1.434 1.00 2.90 C ATOM 854 C GLU A 56 14.487 1.461 1.582 1.00 2.31 C ATOM 855 O GLU A 56 15.571 1.165 1.081 1.00 2.87 O ATOM 856 CB GLU A 56 14.612 3.812 2.424 1.00 3.47 C ATOM 857 CG GLU A 56 14.932 5.179 1.841 1.00 4.30 C ATOM 858 CD GLU A 56 16.160 5.806 2.472 1.00 5.06 C ATOM 859 OE1 GLU A 56 16.018 6.457 3.529 1.00 5.55 O ATOM 860 OE2 GLU A 56 17.263 5.644 1.910 1.00 5.47 O ATOM 0 H GLU A 56 12.182 3.352 2.503 1.00 2.55 H new ATOM 0 HA GLU A 56 14.113 3.214 0.417 1.00 2.90 H new ATOM 0 HB2 GLU A 56 13.973 3.939 3.298 1.00 3.47 H new ATOM 0 HB3 GLU A 56 15.536 3.348 2.769 1.00 3.47 H new ATOM 0 HG2 GLU A 56 15.088 5.085 0.766 1.00 4.30 H new ATOM 0 HG3 GLU A 56 14.077 5.840 1.983 1.00 4.30 H new ATOM 867 N HIS A 57 13.752 0.596 2.278 1.00 1.41 N ATOM 868 CA HIS A 57 14.195 -0.777 2.491 1.00 1.04 C ATOM 869 C HIS A 57 13.065 -1.770 2.236 1.00 0.97 C ATOM 870 O HIS A 57 11.935 -1.569 2.677 1.00 1.34 O ATOM 871 CB HIS A 57 14.719 -0.943 3.920 1.00 1.30 C ATOM 872 CG HIS A 57 16.012 -1.691 4.004 1.00 1.65 C ATOM 873 ND1 HIS A 57 17.239 -1.066 4.092 1.00 2.34 N ATOM 874 CD2 HIS A 57 16.267 -3.021 4.018 1.00 2.26 C ATOM 875 CE1 HIS A 57 18.192 -1.979 4.156 1.00 2.86 C ATOM 876 NE2 HIS A 57 17.628 -3.172 4.113 1.00 2.77 N ATOM 0 H HIS A 57 12.852 0.821 2.701 1.00 1.41 H new ATOM 0 HA HIS A 57 14.997 -0.985 1.783 1.00 1.04 H new ATOM 0 HB2 HIS A 57 14.850 0.043 4.366 1.00 1.30 H new ATOM 0 HB3 HIS A 57 13.969 -1.464 4.514 1.00 1.30 H new ATOM 0 HD2 HIS A 57 15.536 -3.814 3.964 1.00 2.26 H new ATOM 0 HE1 HIS A 57 19.251 -1.783 4.231 1.00 2.86 H new ATOM 0 HE2 HIS A 57 18.124 -4.063 4.145 1.00 2.77 H new ATOM 885 N ARG A 58 13.386 -2.848 1.523 1.00 1.00 N ATOM 886 CA ARG A 58 12.404 -3.881 1.212 1.00 0.92 C ATOM 887 C ARG A 58 13.091 -5.226 0.984 1.00 0.69 C ATOM 888 O ARG A 58 14.251 -5.280 0.571 1.00 0.78 O ATOM 889 CB ARG A 58 11.580 -3.487 -0.013 1.00 1.23 C ATOM 890 CG ARG A 58 10.442 -2.533 0.310 1.00 1.36 C ATOM 891 CD ARG A 58 9.383 -2.536 -0.781 1.00 1.75 C ATOM 892 NE ARG A 58 8.337 -1.546 -0.534 1.00 2.44 N ATOM 893 CZ ARG A 58 7.467 -1.150 -1.457 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.512 -1.664 -2.679 1.00 3.53 N ATOM 895 NH2 ARG A 58 6.550 -0.241 -1.157 1.00 3.98 N ATOM 0 H ARG A 58 14.318 -3.027 1.151 1.00 1.00 H new ATOM 0 HA ARG A 58 11.730 -3.980 2.063 1.00 0.92 H new ATOM 0 HB2 ARG A 58 12.236 -3.023 -0.750 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.171 -4.387 -0.472 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.988 -2.816 1.260 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.836 -1.524 0.433 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.854 -2.333 -1.743 1.00 1.75 H new ATOM 0 HD3 ARG A 58 8.935 -3.527 -0.848 1.00 1.75 H new ATOM 0 HE ARG A 58 8.271 -1.137 0.398 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.216 -2.365 -2.912 1.00 3.53 H new ATOM 0 HH12 ARG A 58 6.843 -1.358 -3.386 1.00 3.53 H new ATOM 0 HH21 ARG A 58 6.512 0.155 -0.218 1.00 3.98 H new ATOM 0 HH22 ARG A 58 5.882 0.063 -1.866 1.00 3.98 H new ATOM 909 N ILE A 59 12.370 -6.309 1.258 1.00 0.67 N ATOM 910 CA ILE A 59 12.918 -7.653 1.092 1.00 0.66 C ATOM 911 C ILE A 59 13.165 -7.983 -0.377 1.00 0.59 C ATOM 912 O ILE A 59 12.244 -8.358 -1.102 1.00 0.57 O ATOM 913 CB ILE A 59 11.998 -8.740 1.691 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.242 -8.207 2.908 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.811 -9.969 2.069 1.00 1.16 C ATOM 916 CD1 ILE A 59 9.786 -7.904 2.631 1.00 1.64 C ATOM 0 H ILE A 59 11.408 -6.284 1.595 1.00 0.67 H new ATOM 0 HA ILE A 59 13.865 -7.653 1.632 1.00 0.66 H new ATOM 0 HB ILE A 59 11.266 -9.022 0.934 1.00 0.95 H new ATOM 0 HG12 ILE A 59 11.305 -8.938 3.714 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.732 -7.300 3.261 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.150 -10.727 2.490 1.00 1.16 H new ATOM 0 HG22 ILE A 59 13.302 -10.368 1.181 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.564 -9.694 2.807 1.00 1.16 H new ATOM 0 HD11 ILE A 59 9.313 -7.530 3.539 1.00 1.64 H new ATOM 0 HD12 ILE A 59 9.714 -7.150 1.847 1.00 1.64 H new ATOM 0 HD13 ILE A 59 9.280 -8.814 2.307 1.00 1.64 H new ATOM 928 N GLY A 60 14.418 -7.855 -0.803 1.00 0.70 N ATOM 929 CA GLY A 60 14.765 -8.160 -2.176 1.00 0.77 C ATOM 930 C GLY A 60 14.720 -6.950 -3.089 1.00 0.74 C ATOM 931 O GLY A 60 15.189 -7.014 -4.225 1.00 0.79 O ATOM 0 H GLY A 60 15.197 -7.546 -0.222 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.766 -8.590 -2.203 1.00 0.77 H new ATOM 0 HA3 GLY A 60 14.081 -8.919 -2.556 1.00 0.77 H new ATOM 935 N GLY A 61 14.157 -5.845 -2.608 1.00 0.70 N ATOM 936 CA GLY A 61 14.075 -4.651 -3.428 1.00 0.72 C ATOM 937 C GLY A 61 12.765 -3.917 -3.239 1.00 0.74 C ATOM 938 O GLY A 61 11.884 -4.383 -2.517 1.00 1.20 O ATOM 0 H GLY A 61 13.759 -5.756 -1.673 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.902 -3.985 -3.181 1.00 0.72 H new ATOM 0 HA3 GLY A 61 14.188 -4.924 -4.477 1.00 0.72 H new ATOM 942 N TYR A 62 12.630 -2.761 -3.885 1.00 0.69 N ATOM 943 CA TYR A 62 11.414 -1.967 -3.770 1.00 0.84 C ATOM 944 C TYR A 62 11.046 -1.315 -5.097 1.00 0.73 C ATOM 945 O TYR A 62 11.907 -0.809 -5.815 1.00 0.97 O ATOM 946 CB TYR A 62 11.587 -0.893 -2.694 1.00 1.36 C ATOM 947 CG TYR A 62 12.783 0.003 -2.922 1.00 1.92 C ATOM 948 CD1 TYR A 62 12.683 1.143 -3.713 1.00 2.43 C ATOM 949 CD2 TYR A 62 14.015 -0.290 -2.349 1.00 2.32 C ATOM 950 CE1 TYR A 62 13.776 1.962 -3.924 1.00 3.07 C ATOM 951 CE2 TYR A 62 15.110 0.525 -2.555 1.00 3.05 C ATOM 952 CZ TYR A 62 14.987 1.649 -3.344 1.00 3.35 C ATOM 953 OH TYR A 62 16.076 2.463 -3.553 1.00 4.10 O ATOM 0 H TYR A 62 13.345 -2.357 -4.490 1.00 0.69 H new ATOM 0 HA TYR A 62 10.603 -2.638 -3.487 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.686 -0.280 -2.656 1.00 1.36 H new ATOM 0 HB3 TYR A 62 11.685 -1.376 -1.722 1.00 1.36 H new ATOM 0 HD1 TYR A 62 11.736 1.392 -4.169 1.00 2.43 H new ATOM 0 HD2 TYR A 62 14.117 -1.170 -1.732 1.00 2.32 H new ATOM 0 HE1 TYR A 62 13.682 2.844 -4.541 1.00 3.07 H new ATOM 0 HE2 TYR A 62 16.059 0.283 -2.100 1.00 3.05 H new ATOM 0 HH TYR A 62 16.851 2.102 -3.073 1.00 4.10 H new ATOM 963 N LYS A 63 9.752 -1.321 -5.410 1.00 0.66 N ATOM 964 CA LYS A 63 9.258 -0.720 -6.643 1.00 0.78 C ATOM 965 C LYS A 63 7.906 -0.053 -6.405 1.00 0.67 C ATOM 966 O LYS A 63 6.948 -0.703 -5.985 1.00 0.54 O ATOM 967 CB LYS A 63 9.134 -1.778 -7.741 1.00 1.11 C ATOM 968 CG LYS A 63 10.356 -1.864 -8.641 1.00 1.28 C ATOM 969 CD LYS A 63 10.182 -2.922 -9.718 1.00 1.83 C ATOM 970 CE LYS A 63 9.940 -4.296 -9.114 1.00 2.36 C ATOM 971 NZ LYS A 63 9.964 -5.368 -10.147 1.00 3.18 N ATOM 0 H LYS A 63 9.027 -1.736 -4.825 1.00 0.66 H new ATOM 0 HA LYS A 63 9.972 0.038 -6.966 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.963 -2.751 -7.280 1.00 1.11 H new ATOM 0 HB3 LYS A 63 8.258 -1.556 -8.351 1.00 1.11 H new ATOM 0 HG2 LYS A 63 10.535 -0.895 -9.107 1.00 1.28 H new ATOM 0 HG3 LYS A 63 11.236 -2.096 -8.041 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.344 -2.653 -10.362 1.00 1.83 H new ATOM 0 HD3 LYS A 63 11.071 -2.952 -10.348 1.00 1.83 H new ATOM 0 HE2 LYS A 63 10.701 -4.501 -8.361 1.00 2.36 H new ATOM 0 HE3 LYS A 63 8.976 -4.304 -8.604 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 9.795 -6.289 -9.695 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 9.222 -5.187 -10.852 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 10.892 -5.377 -10.616 1.00 3.18 H new ATOM 985 N VAL A 64 7.836 1.247 -6.670 1.00 0.81 N ATOM 986 CA VAL A 64 6.600 1.999 -6.480 1.00 0.77 C ATOM 987 C VAL A 64 6.350 2.966 -7.632 1.00 0.82 C ATOM 988 O VAL A 64 7.274 3.622 -8.117 1.00 0.89 O ATOM 989 CB VAL A 64 6.622 2.788 -5.158 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.484 1.848 -3.972 1.00 1.49 C ATOM 991 CG2 VAL A 64 7.896 3.613 -5.048 1.00 1.71 C ATOM 0 H VAL A 64 8.619 1.802 -7.016 1.00 0.81 H new ATOM 0 HA VAL A 64 5.792 1.268 -6.449 1.00 0.77 H new ATOM 0 HB VAL A 64 5.773 3.471 -5.151 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.502 2.424 -3.047 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.541 1.307 -4.044 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.311 1.138 -3.973 1.00 1.49 H new ATOM 0 HG21 VAL A 64 7.893 4.163 -4.107 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.762 2.951 -5.079 1.00 1.71 H new ATOM 0 HG23 VAL A 64 7.947 4.316 -5.879 1.00 1.71 H new ATOM 1001 N ARG A 65 5.096 3.055 -8.062 1.00 0.82 N ATOM 1002 CA ARG A 65 4.724 3.948 -9.152 1.00 0.92 C ATOM 1003 C ARG A 65 4.614 5.386 -8.655 1.00 1.03 C ATOM 1004 O ARG A 65 3.824 5.686 -7.761 1.00 1.18 O ATOM 1005 CB ARG A 65 3.397 3.506 -9.773 1.00 0.96 C ATOM 1006 CG ARG A 65 3.454 3.352 -11.284 1.00 1.51 C ATOM 1007 CD ARG A 65 3.751 4.675 -11.967 1.00 2.02 C ATOM 1008 NE ARG A 65 3.396 4.653 -13.385 1.00 2.60 N ATOM 1009 CZ ARG A 65 3.363 5.739 -14.152 1.00 3.22 C ATOM 1010 NH1 ARG A 65 3.660 6.926 -13.638 1.00 3.52 N ATOM 1011 NH2 ARG A 65 3.035 5.639 -15.433 1.00 3.99 N ATOM 0 H ARG A 65 4.320 2.519 -7.672 1.00 0.82 H new ATOM 0 HA ARG A 65 5.503 3.901 -9.913 1.00 0.92 H new ATOM 0 HB2 ARG A 65 3.097 2.556 -9.330 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.626 4.234 -9.519 1.00 0.96 H new ATOM 0 HG2 ARG A 65 4.222 2.625 -11.548 1.00 1.51 H new ATOM 0 HG3 ARG A 65 2.504 2.959 -11.647 1.00 1.51 H new ATOM 0 HD2 ARG A 65 3.200 5.472 -11.468 1.00 2.02 H new ATOM 0 HD3 ARG A 65 4.811 4.907 -11.863 1.00 2.02 H new ATOM 0 HE ARG A 65 3.161 3.756 -13.809 1.00 2.60 H new ATOM 0 HH11 ARG A 65 3.914 7.006 -12.653 1.00 3.52 H new ATOM 0 HH12 ARG A 65 3.634 7.758 -14.228 1.00 3.52 H new ATOM 0 HH21 ARG A 65 2.807 4.728 -15.832 1.00 3.99 H new ATOM 0 HH22 ARG A 65 3.010 6.473 -16.020 1.00 3.99 H new ATOM 1025 N ASN A 66 5.417 6.272 -9.237 1.00 1.03 N ATOM 1026 CA ASN A 66 5.414 7.678 -8.848 1.00 1.16 C ATOM 1027 C ASN A 66 4.175 8.394 -9.377 1.00 1.03 C ATOM 1028 O ASN A 66 4.280 9.352 -10.142 1.00 1.79 O ATOM 1029 CB ASN A 66 6.675 8.371 -9.364 1.00 1.96 C ATOM 1030 CG ASN A 66 7.943 7.675 -8.911 1.00 2.83 C ATOM 1031 OD1 ASN A 66 7.963 7.011 -7.875 1.00 3.41 O ATOM 1032 ND2 ASN A 66 9.011 7.824 -9.687 1.00 3.48 N ATOM 0 H ASN A 66 6.078 6.041 -9.979 1.00 1.03 H new ATOM 0 HA ASN A 66 5.397 7.725 -7.759 1.00 1.16 H new ATOM 0 HB2 ASN A 66 6.650 8.401 -10.453 1.00 1.96 H new ATOM 0 HB3 ASN A 66 6.687 9.404 -9.016 1.00 1.96 H new ATOM 0 HD21 ASN A 66 9.893 7.379 -9.432 1.00 3.48 H new ATOM 0 HD22 ASN A 66 8.949 8.384 -10.538 1.00 3.48 H new ATOM 1039 N GLN A 67 3.003 7.924 -8.962 1.00 1.15 N ATOM 1040 CA GLN A 67 1.743 8.522 -9.393 1.00 1.99 C ATOM 1041 C GLN A 67 0.614 8.168 -8.431 1.00 1.73 C ATOM 1042 O GLN A 67 -0.556 8.156 -8.814 1.00 2.55 O ATOM 1043 CB GLN A 67 1.392 8.055 -10.808 1.00 2.86 C ATOM 1044 CG GLN A 67 1.630 9.110 -11.876 1.00 3.88 C ATOM 1045 CD GLN A 67 0.343 9.744 -12.365 1.00 4.69 C ATOM 1046 OE1 GLN A 67 -0.124 10.738 -11.809 1.00 5.12 O ATOM 1047 NE2 GLN A 67 -0.239 9.171 -13.412 1.00 5.31 N ATOM 0 H GLN A 67 2.899 7.132 -8.328 1.00 1.15 H new ATOM 0 HA GLN A 67 1.865 9.605 -9.395 1.00 1.99 H new ATOM 0 HB2 GLN A 67 1.982 7.170 -11.046 1.00 2.86 H new ATOM 0 HB3 GLN A 67 0.344 7.755 -10.833 1.00 2.86 H new ATOM 0 HG2 GLN A 67 2.284 9.885 -11.477 1.00 3.88 H new ATOM 0 HG3 GLN A 67 2.151 8.657 -12.719 1.00 3.88 H new ATOM 0 HE21 GLN A 67 0.182 8.348 -13.843 1.00 5.31 H new ATOM 0 HE22 GLN A 67 -1.107 9.554 -13.786 1.00 5.31 H new ATOM 1056 N HIS A 68 0.969 7.877 -7.179 1.00 0.89 N ATOM 1057 CA HIS A 68 -0.016 7.518 -6.159 1.00 0.62 C ATOM 1058 C HIS A 68 -1.048 6.539 -6.711 1.00 0.68 C ATOM 1059 O HIS A 68 -2.244 6.830 -6.736 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.717 8.773 -5.632 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.253 9.659 -6.714 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -2.557 9.603 -7.156 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -0.651 10.629 -7.442 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -2.735 10.500 -8.110 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -1.595 11.135 -8.302 1.00 2.83 N ATOM 0 H HIS A 68 1.933 7.883 -6.847 1.00 0.89 H new ATOM 0 HA HIS A 68 0.513 7.032 -5.339 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.537 8.474 -4.979 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -0.015 9.342 -5.022 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -3.273 8.968 -6.802 1.00 2.23 H new ATOM 0 HD2 HIS A 68 0.378 10.946 -7.362 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -3.657 10.682 -8.642 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.577 5.379 -7.160 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.461 4.365 -7.722 1.00 0.45 C ATOM 1076 C TRP A 69 -1.203 2.992 -7.103 1.00 0.37 C ATOM 1077 O TRP A 69 -1.957 2.540 -6.240 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.286 4.298 -9.239 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.534 4.633 -9.995 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.820 4.498 -9.556 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -2.618 5.164 -11.323 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.698 4.910 -10.529 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -3.985 5.324 -11.623 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -1.671 5.520 -12.288 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -4.426 5.824 -12.846 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -2.112 6.016 -13.502 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -3.478 6.164 -13.770 1.00 3.14 C ATOM 0 H TRP A 69 0.409 5.119 -7.145 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.487 4.650 -7.489 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.494 4.985 -9.537 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.960 3.296 -9.516 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.105 4.122 -8.585 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.715 4.908 -10.450 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -0.615 5.410 -12.090 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -5.479 5.939 -13.057 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -1.390 6.294 -14.256 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -3.789 6.555 -14.727 1.00 3.14 H new ATOM 1098 N SER A 70 -0.140 2.327 -7.550 1.00 0.35 N ATOM 1099 CA SER A 70 0.199 1.001 -7.039 1.00 0.33 C ATOM 1100 C SER A 70 1.603 0.973 -6.441 1.00 0.36 C ATOM 1101 O SER A 70 2.436 1.830 -6.738 1.00 0.39 O ATOM 1102 CB SER A 70 0.094 -0.040 -8.156 1.00 0.40 C ATOM 1103 OG SER A 70 0.974 0.264 -9.224 1.00 1.02 O ATOM 0 H SER A 70 0.499 2.682 -8.261 1.00 0.35 H new ATOM 0 HA SER A 70 -0.512 0.761 -6.249 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.327 -1.028 -7.759 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.931 -0.079 -8.525 1.00 0.40 H new ATOM 0 HG SER A 70 0.888 -0.418 -9.923 1.00 1.02 H new ATOM 1109 N LEU A 71 1.860 -0.034 -5.613 1.00 0.38 N ATOM 1110 CA LEU A 71 3.164 -0.209 -4.980 1.00 0.44 C ATOM 1111 C LEU A 71 3.498 -1.697 -4.890 1.00 0.44 C ATOM 1112 O LEU A 71 2.743 -2.468 -4.300 1.00 0.52 O ATOM 1113 CB LEU A 71 3.179 0.426 -3.588 1.00 0.51 C ATOM 1114 CG LEU A 71 1.974 0.088 -2.707 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.396 -0.019 -1.251 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.882 1.134 -2.874 1.00 0.80 C ATOM 0 H LEU A 71 1.176 -0.748 -5.362 1.00 0.38 H new ATOM 0 HA LEU A 71 3.919 0.290 -5.588 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.086 0.112 -3.072 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.235 1.509 -3.700 1.00 0.51 H new ATOM 0 HG LEU A 71 1.574 -0.876 -3.021 1.00 0.63 H new ATOM 0 HD11 LEU A 71 1.528 -0.260 -0.637 1.00 0.98 H new ATOM 0 HD12 LEU A 71 3.144 -0.805 -1.146 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.819 0.931 -0.924 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.033 0.878 -2.240 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.268 2.112 -2.586 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.562 1.163 -3.916 1.00 0.80 H new ATOM 1128 N ILE A 72 4.616 -2.102 -5.483 1.00 0.39 N ATOM 1129 CA ILE A 72 5.004 -3.510 -5.462 1.00 0.39 C ATOM 1130 C ILE A 72 6.226 -3.760 -4.577 1.00 0.36 C ATOM 1131 O ILE A 72 7.285 -3.162 -4.771 1.00 0.38 O ATOM 1132 CB ILE A 72 5.280 -4.042 -6.886 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.294 -5.571 -6.883 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.591 -3.492 -7.434 1.00 0.45 C ATOM 1135 CD1 ILE A 72 4.763 -6.184 -8.161 1.00 1.12 C ATOM 0 H ILE A 72 5.262 -1.487 -5.978 1.00 0.39 H new ATOM 0 HA ILE A 72 4.159 -4.052 -5.038 1.00 0.39 H new ATOM 0 HB ILE A 72 4.478 -3.700 -7.540 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.315 -5.916 -6.721 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.699 -5.930 -6.043 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.759 -3.884 -8.437 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.541 -2.404 -7.473 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.412 -3.795 -6.784 1.00 0.45 H new ATOM 0 HD11 ILE A 72 4.803 -7.271 -8.087 1.00 1.12 H new ATOM 0 HD12 ILE A 72 3.731 -5.868 -8.315 1.00 1.12 H new ATOM 0 HD13 ILE A 72 5.372 -5.855 -9.003 1.00 1.12 H new ATOM 1147 N MET A 73 6.063 -4.661 -3.614 1.00 0.36 N ATOM 1148 CA MET A 73 7.139 -5.020 -2.696 1.00 0.36 C ATOM 1149 C MET A 73 7.385 -6.524 -2.732 1.00 0.33 C ATOM 1150 O MET A 73 6.443 -7.317 -2.719 1.00 0.43 O ATOM 1151 CB MET A 73 6.790 -4.580 -1.274 1.00 0.43 C ATOM 1152 CG MET A 73 5.432 -5.072 -0.801 1.00 0.83 C ATOM 1153 SD MET A 73 5.452 -5.616 0.917 1.00 1.86 S ATOM 1154 CE MET A 73 5.442 -4.040 1.768 1.00 2.56 C ATOM 0 H MET A 73 5.189 -5.160 -3.448 1.00 0.36 H new ATOM 0 HA MET A 73 8.049 -4.508 -3.010 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.557 -4.945 -0.591 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.810 -3.491 -1.224 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.700 -4.273 -0.917 1.00 0.83 H new ATOM 0 HG3 MET A 73 5.107 -5.897 -1.436 1.00 0.83 H new ATOM 0 HE1 MET A 73 5.666 -4.195 2.823 1.00 2.56 H new ATOM 0 HE2 MET A 73 6.195 -3.385 1.330 1.00 2.56 H new ATOM 0 HE3 MET A 73 4.459 -3.580 1.670 1.00 2.56 H new ATOM 1164 N GLU A 74 8.653 -6.914 -2.784 1.00 0.33 N ATOM 1165 CA GLU A 74 9.017 -8.326 -2.830 1.00 0.31 C ATOM 1166 C GLU A 74 9.007 -8.945 -1.435 1.00 0.31 C ATOM 1167 O GLU A 74 9.794 -8.562 -0.572 1.00 0.37 O ATOM 1168 CB GLU A 74 10.401 -8.494 -3.465 1.00 0.37 C ATOM 1169 CG GLU A 74 10.943 -9.912 -3.383 1.00 0.41 C ATOM 1170 CD GLU A 74 11.904 -10.235 -4.512 1.00 0.89 C ATOM 1171 OE1 GLU A 74 12.054 -9.392 -5.420 1.00 1.12 O ATOM 1172 OE2 GLU A 74 12.504 -11.330 -4.486 1.00 1.52 O ATOM 0 H GLU A 74 9.446 -6.273 -2.795 1.00 0.33 H new ATOM 0 HA GLU A 74 8.276 -8.844 -3.438 1.00 0.31 H new ATOM 0 HB2 GLU A 74 10.350 -8.194 -4.512 1.00 0.37 H new ATOM 0 HB3 GLU A 74 11.101 -7.818 -2.974 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.451 -10.048 -2.428 1.00 0.41 H new ATOM 0 HG3 GLU A 74 10.112 -10.617 -3.405 1.00 0.41 H new ATOM 1179 N SER A 75 8.118 -9.912 -1.226 1.00 0.29 N ATOM 1180 CA SER A 75 8.020 -10.592 0.058 1.00 0.33 C ATOM 1181 C SER A 75 7.994 -12.104 -0.142 1.00 0.33 C ATOM 1182 O SER A 75 6.947 -12.688 -0.426 1.00 0.38 O ATOM 1183 CB SER A 75 6.765 -10.139 0.807 1.00 0.41 C ATOM 1184 OG SER A 75 6.522 -8.757 0.603 1.00 1.32 O ATOM 0 H SER A 75 7.457 -10.241 -1.930 1.00 0.29 H new ATOM 0 HA SER A 75 8.896 -10.332 0.653 1.00 0.33 H new ATOM 0 HB2 SER A 75 5.906 -10.717 0.467 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.881 -10.338 1.872 1.00 0.41 H new ATOM 0 HG SER A 75 5.949 -8.416 1.321 1.00 1.32 H new ATOM 1190 N VAL A 76 9.157 -12.732 0.004 1.00 0.37 N ATOM 1191 CA VAL A 76 9.275 -14.178 -0.164 1.00 0.41 C ATOM 1192 C VAL A 76 8.989 -14.900 1.149 1.00 0.43 C ATOM 1193 O VAL A 76 8.209 -15.851 1.189 1.00 0.46 O ATOM 1194 CB VAL A 76 10.681 -14.567 -0.660 1.00 0.48 C ATOM 1195 CG1 VAL A 76 10.806 -16.074 -0.839 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.008 -13.842 -1.957 1.00 1.33 C ATOM 0 H VAL A 76 10.032 -12.263 0.238 1.00 0.37 H new ATOM 0 HA VAL A 76 8.540 -14.480 -0.910 1.00 0.41 H new ATOM 0 HB VAL A 76 11.402 -14.262 0.099 1.00 0.48 H new ATOM 0 HG11 VAL A 76 11.809 -16.317 -1.190 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.625 -16.570 0.115 1.00 1.54 H new ATOM 0 HG13 VAL A 76 10.073 -16.416 -1.570 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.005 -14.129 -2.293 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.277 -14.112 -2.719 1.00 1.33 H new ATOM 0 HG23 VAL A 76 10.977 -12.765 -1.790 1.00 1.33 H new ATOM 1206 N VAL A 77 9.627 -14.440 2.217 1.00 0.45 N ATOM 1207 CA VAL A 77 9.443 -15.042 3.535 1.00 0.49 C ATOM 1208 C VAL A 77 8.310 -14.361 4.299 1.00 0.45 C ATOM 1209 O VAL A 77 7.448 -15.032 4.866 1.00 0.47 O ATOM 1210 CB VAL A 77 10.731 -14.978 4.386 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.719 -16.066 5.449 1.00 0.80 C ATOM 1212 CG2 VAL A 77 11.971 -15.096 3.511 1.00 0.77 C ATOM 0 H VAL A 77 10.276 -13.653 2.199 1.00 0.45 H new ATOM 0 HA VAL A 77 9.190 -16.088 3.362 1.00 0.49 H new ATOM 0 HB VAL A 77 10.762 -14.008 4.882 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.633 -16.007 6.040 1.00 0.80 H new ATOM 0 HG12 VAL A 77 9.856 -15.928 6.101 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.659 -17.043 4.969 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.863 -15.048 4.136 1.00 0.77 H new ATOM 0 HG22 VAL A 77 11.952 -16.047 2.979 1.00 0.77 H new ATOM 0 HG23 VAL A 77 11.988 -14.278 2.791 1.00 0.77 H new ATOM 1222 N PRO A 78 8.290 -13.016 4.328 1.00 0.43 N ATOM 1223 CA PRO A 78 7.248 -12.259 5.029 1.00 0.41 C ATOM 1224 C PRO A 78 5.855 -12.534 4.472 1.00 0.35 C ATOM 1225 O PRO A 78 4.854 -12.238 5.119 1.00 0.34 O ATOM 1226 CB PRO A 78 7.637 -10.794 4.794 1.00 0.42 C ATOM 1227 CG PRO A 78 9.077 -10.832 4.416 1.00 0.48 C ATOM 1228 CD PRO A 78 9.270 -12.127 3.685 1.00 0.46 C ATOM 0 HA PRO A 78 7.194 -12.532 6.083 1.00 0.41 H new ATOM 0 HB2 PRO A 78 7.033 -10.348 4.004 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.480 -10.195 5.691 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.339 -9.983 3.784 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.715 -10.781 5.298 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.079 -12.021 2.617 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.288 -12.503 3.791 1.00 0.46 H new ATOM 1236 N SER A 79 5.792 -13.106 3.273 1.00 0.34 N ATOM 1237 CA SER A 79 4.512 -13.417 2.645 1.00 0.34 C ATOM 1238 C SER A 79 3.631 -14.225 3.587 1.00 0.38 C ATOM 1239 O SER A 79 2.408 -14.219 3.460 1.00 0.39 O ATOM 1240 CB SER A 79 4.730 -14.190 1.342 1.00 0.39 C ATOM 1241 OG SER A 79 3.699 -13.918 0.408 1.00 1.13 O ATOM 0 H SER A 79 6.609 -13.363 2.719 1.00 0.34 H new ATOM 0 HA SER A 79 4.009 -12.477 2.419 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.695 -13.920 0.912 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.763 -15.259 1.551 1.00 0.39 H new ATOM 0 HG SER A 79 3.863 -14.423 -0.416 1.00 1.13 H new ATOM 1247 N ASP A 80 4.254 -14.913 4.542 1.00 0.43 N ATOM 1248 CA ASP A 80 3.507 -15.710 5.505 1.00 0.50 C ATOM 1249 C ASP A 80 2.450 -14.855 6.183 1.00 0.42 C ATOM 1250 O ASP A 80 1.387 -15.350 6.556 1.00 0.47 O ATOM 1251 CB ASP A 80 4.444 -16.324 6.547 1.00 0.62 C ATOM 1252 CG ASP A 80 5.228 -15.273 7.311 1.00 1.27 C ATOM 1253 OD1 ASP A 80 4.593 -14.372 7.900 1.00 2.02 O ATOM 1254 OD2 ASP A 80 6.474 -15.352 7.321 1.00 1.69 O ATOM 0 H ASP A 80 5.266 -14.933 4.667 1.00 0.43 H new ATOM 0 HA ASP A 80 3.014 -16.522 4.971 1.00 0.50 H new ATOM 0 HB2 ASP A 80 3.861 -16.920 7.249 1.00 0.62 H new ATOM 0 HB3 ASP A 80 5.138 -17.003 6.052 1.00 0.62 H new ATOM 1259 N LYS A 81 2.732 -13.564 6.315 1.00 0.38 N ATOM 1260 CA LYS A 81 1.772 -12.660 6.918 1.00 0.33 C ATOM 1261 C LYS A 81 0.969 -11.971 5.823 1.00 0.26 C ATOM 1262 O LYS A 81 1.479 -11.120 5.094 1.00 0.27 O ATOM 1263 CB LYS A 81 2.476 -11.624 7.805 1.00 0.40 C ATOM 1264 CG LYS A 81 3.526 -10.795 7.081 1.00 0.91 C ATOM 1265 CD LYS A 81 3.397 -9.318 7.416 1.00 1.02 C ATOM 1266 CE LYS A 81 4.664 -8.780 8.064 1.00 0.87 C ATOM 1267 NZ LYS A 81 5.873 -9.080 7.249 1.00 1.23 N ATOM 0 H LYS A 81 3.605 -13.129 6.016 1.00 0.38 H new ATOM 0 HA LYS A 81 1.096 -13.234 7.552 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.727 -10.954 8.226 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.949 -12.139 8.641 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.521 -11.146 7.355 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.424 -10.936 6.005 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.185 -8.755 6.507 1.00 1.02 H new ATOM 0 HD3 LYS A 81 2.552 -9.169 8.088 1.00 1.02 H new ATOM 0 HE2 LYS A 81 4.574 -7.702 8.198 1.00 0.87 H new ATOM 0 HE3 LYS A 81 4.778 -9.216 9.057 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 6.542 -8.286 7.314 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.327 -9.945 7.606 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 5.597 -9.219 6.256 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.289 -12.358 5.708 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.150 -11.784 4.698 1.00 0.24 C ATOM 1283 C GLY A 82 -2.060 -10.716 5.266 1.00 0.28 C ATOM 1284 O GLY A 82 -3.273 -10.736 5.059 1.00 0.53 O ATOM 0 H GLY A 82 -0.732 -13.062 6.298 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.540 -11.355 3.903 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.754 -12.571 4.246 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.452 -9.764 5.964 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.178 -8.646 6.552 1.00 0.28 C ATOM 1290 C ASN A 83 -1.543 -7.331 6.117 1.00 0.30 C ATOM 1291 O ASN A 83 -0.421 -7.020 6.518 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.181 -8.751 8.077 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.581 -8.904 8.641 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.536 -9.149 7.904 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.708 -8.757 9.954 1.00 0.96 N ATOM 0 H ASN A 83 -0.447 -9.745 6.137 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.210 -8.677 6.203 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -1.574 -9.604 8.381 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.716 -7.861 8.501 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.625 -8.847 10.391 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -2.888 -8.554 10.526 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.245 -6.558 5.297 1.00 0.33 N ATOM 1303 CA TYR A 84 -1.701 -5.288 4.833 1.00 0.40 C ATOM 1304 C TYR A 84 -2.664 -4.138 5.075 1.00 0.35 C ATOM 1305 O TYR A 84 -3.866 -4.249 4.827 1.00 0.44 O ATOM 1306 CB TYR A 84 -1.347 -5.355 3.348 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.692 -4.090 2.838 1.00 1.17 C ATOM 1308 CD1 TYR A 84 0.680 -3.910 2.934 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -1.449 -3.081 2.253 1.00 1.74 C ATOM 1310 CE1 TYR A 84 1.283 -2.758 2.465 1.00 2.76 C ATOM 1311 CE2 TYR A 84 -0.853 -1.927 1.781 1.00 2.46 C ATOM 1312 CZ TYR A 84 0.509 -1.760 1.909 1.00 2.86 C ATOM 1313 OH TYR A 84 1.109 -0.623 1.420 1.00 3.72 O ATOM 0 H TYR A 84 -3.176 -6.783 4.945 1.00 0.33 H new ATOM 0 HA TYR A 84 -0.795 -5.103 5.410 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -0.678 -6.198 3.178 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.253 -5.546 2.773 1.00 0.57 H new ATOM 0 HD1 TYR A 84 1.287 -4.683 3.382 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -2.519 -3.201 2.166 1.00 1.74 H new ATOM 0 HE1 TYR A 84 2.354 -2.640 2.533 1.00 2.76 H new ATOM 0 HE2 TYR A 84 -1.452 -1.159 1.314 1.00 2.46 H new ATOM 0 HH TYR A 84 0.423 -0.013 1.076 1.00 3.72 H new ATOM 1323 N THR A 85 -2.118 -3.027 5.554 1.00 0.32 N ATOM 1324 CA THR A 85 -2.904 -1.837 5.826 1.00 0.33 C ATOM 1325 C THR A 85 -2.320 -0.626 5.107 1.00 0.29 C ATOM 1326 O THR A 85 -1.152 -0.284 5.295 1.00 0.31 O ATOM 1327 CB THR A 85 -2.977 -1.543 7.336 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.860 -2.761 8.079 1.00 1.14 O ATOM 1329 CG2 THR A 85 -4.285 -0.853 7.688 1.00 1.00 C ATOM 0 H THR A 85 -1.124 -2.929 5.763 1.00 0.32 H new ATOM 0 HA THR A 85 -3.912 -2.027 5.457 1.00 0.33 H new ATOM 0 HB THR A 85 -2.152 -0.880 7.595 1.00 0.45 H new ATOM 0 HG1 THR A 85 -2.906 -2.565 9.038 1.00 1.14 H new ATOM 0 HG21 THR A 85 -4.315 -0.655 8.759 1.00 1.00 H new ATOM 0 HG22 THR A 85 -4.358 0.088 7.143 1.00 1.00 H new ATOM 0 HG23 THR A 85 -5.121 -1.497 7.415 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.141 0.018 4.287 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.716 1.194 3.541 1.00 0.30 C ATOM 1339 C CYS A 86 -3.195 2.459 4.238 1.00 0.30 C ATOM 1340 O CYS A 86 -4.386 2.771 4.222 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.265 1.142 2.112 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.384 2.207 0.922 1.00 0.65 S ATOM 0 H CYS A 86 -4.109 -0.257 4.122 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.627 1.206 3.499 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.223 0.112 1.758 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.316 1.431 2.130 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.266 3.192 4.841 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.609 4.427 5.528 1.00 0.30 C ATOM 1349 C VAL A 87 -2.063 5.627 4.764 1.00 0.31 C ATOM 1350 O VAL A 87 -0.864 5.902 4.801 1.00 0.30 O ATOM 1351 CB VAL A 87 -2.076 4.425 6.979 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -0.610 4.026 7.012 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.286 5.777 7.652 1.00 0.97 C ATOM 0 H VAL A 87 -1.275 2.952 4.867 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.696 4.500 5.569 1.00 0.30 H new ATOM 0 HB VAL A 87 -2.646 3.685 7.541 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -0.255 4.031 8.042 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -0.496 3.026 6.594 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -0.027 4.734 6.424 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.900 5.740 8.671 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -1.758 6.548 7.091 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -3.350 6.010 7.676 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.944 6.336 4.065 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.525 7.497 3.298 1.00 0.33 C ATOM 1365 C VAL A 88 -2.754 8.784 4.072 1.00 0.30 C ATOM 1366 O VAL A 88 -3.891 9.173 4.336 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.278 7.584 1.955 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -4.767 7.789 2.189 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -2.709 8.703 1.096 1.00 1.50 C ATOM 0 H VAL A 88 -3.941 6.128 4.016 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.459 7.377 3.107 1.00 0.33 H new ATOM 0 HB VAL A 88 -3.143 6.642 1.423 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -5.281 7.848 1.230 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -5.164 6.951 2.763 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -4.924 8.715 2.742 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.252 8.750 0.152 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.811 9.653 1.621 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -1.655 8.510 0.898 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.661 9.436 4.443 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.723 10.675 5.200 1.00 0.32 C ATOM 1381 C GLU A 89 -1.477 11.885 4.306 1.00 0.31 C ATOM 1382 O GLU A 89 -0.803 11.789 3.275 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.699 10.651 6.335 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.078 11.526 7.519 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.050 12.604 7.800 1.00 0.83 C ATOM 1386 OE1 GLU A 89 -0.148 13.691 7.193 1.00 1.46 O ATOM 1387 OE2 GLU A 89 0.855 12.361 8.626 1.00 1.33 O ATOM 0 H GLU A 89 -0.714 9.123 4.229 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.726 10.760 5.619 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.575 9.624 6.679 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.267 10.977 5.948 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.044 11.992 7.327 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.196 10.902 8.405 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.022 13.025 4.716 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.867 14.267 3.978 1.00 0.36 C ATOM 1396 C ASN A 90 -1.686 15.430 4.950 1.00 0.43 C ATOM 1397 O ASN A 90 -1.767 15.250 6.165 1.00 0.39 O ATOM 1398 CB ASN A 90 -3.086 14.512 3.085 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.385 14.118 3.762 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -5.151 14.974 4.205 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.638 12.817 3.845 1.00 0.86 N ATOM 0 H ASN A 90 -2.580 13.111 5.565 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.983 14.191 3.345 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.127 15.566 2.811 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.975 13.947 2.160 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.496 12.492 4.290 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -3.974 12.143 3.464 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.451 16.620 4.414 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.269 17.804 5.244 1.00 0.66 C ATOM 1410 C GLU A 91 -2.576 18.208 5.928 1.00 0.68 C ATOM 1411 O GLU A 91 -2.568 18.995 6.875 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.751 18.967 4.393 1.00 0.76 C ATOM 1413 CG GLU A 91 0.003 20.017 5.192 1.00 1.15 C ATOM 1414 CD GLU A 91 1.154 19.431 5.987 1.00 1.72 C ATOM 1415 OE1 GLU A 91 0.928 19.024 7.146 1.00 2.34 O ATOM 1416 OE2 GLU A 91 2.280 19.378 5.449 1.00 2.24 O ATOM 0 H GLU A 91 -1.382 16.791 3.411 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.539 17.563 6.016 1.00 0.66 H new ATOM 0 HB2 GLU A 91 -0.095 18.574 3.616 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.593 19.441 3.890 1.00 0.76 H new ATOM 0 HG2 GLU A 91 0.386 20.779 4.513 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.687 20.515 5.873 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.700 17.687 5.437 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.004 18.025 6.002 1.00 0.68 C ATOM 1425 C TYR A 92 -5.643 16.854 6.751 1.00 0.60 C ATOM 1426 O TYR A 92 -6.795 16.946 7.172 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.948 18.500 4.897 1.00 0.75 C ATOM 1428 CG TYR A 92 -5.935 19.997 4.692 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -4.816 20.636 4.172 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -7.041 20.773 5.016 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -4.799 22.005 3.982 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -7.031 22.141 4.829 1.00 2.05 C ATOM 1433 CZ TYR A 92 -5.907 22.753 4.314 1.00 2.19 C ATOM 1434 OH TYR A 92 -5.898 24.116 4.125 1.00 2.77 O ATOM 0 H TYR A 92 -3.733 17.034 4.654 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.838 18.824 6.724 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.674 18.011 3.962 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.963 18.183 5.137 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -3.945 20.053 3.912 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -7.923 20.299 5.421 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -3.922 22.486 3.575 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -7.900 22.730 5.085 1.00 2.05 H new ATOM 0 HH TYR A 92 -6.758 24.491 4.409 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.908 15.758 6.926 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.470 14.621 7.638 1.00 0.47 C ATOM 1446 C GLY A 93 -4.827 13.296 7.280 1.00 0.40 C ATOM 1447 O GLY A 93 -4.029 13.210 6.348 1.00 0.40 O ATOM 0 H GLY A 93 -3.951 15.637 6.595 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.365 14.787 8.710 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.538 14.564 7.428 1.00 0.47 H new ATOM 1451 N SER A 94 -5.187 12.259 8.034 1.00 0.38 N ATOM 1452 CA SER A 94 -4.661 10.919 7.814 1.00 0.34 C ATOM 1453 C SER A 94 -5.792 9.898 7.729 1.00 0.34 C ATOM 1454 O SER A 94 -6.746 9.951 8.505 1.00 0.38 O ATOM 1455 CB SER A 94 -3.692 10.538 8.933 1.00 0.35 C ATOM 1456 OG SER A 94 -3.044 11.683 9.458 1.00 1.04 O ATOM 0 H SER A 94 -5.847 12.326 8.809 1.00 0.38 H new ATOM 0 HA SER A 94 -4.124 10.917 6.865 1.00 0.34 H new ATOM 0 HB2 SER A 94 -4.233 10.026 9.728 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.948 9.838 8.552 1.00 0.35 H new ATOM 0 HG SER A 94 -2.431 11.413 10.173 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.681 8.970 6.784 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.701 7.941 6.599 1.00 0.34 C ATOM 1464 C ILE A 95 -6.092 6.545 6.690 1.00 0.31 C ATOM 1465 O ILE A 95 -4.902 6.362 6.436 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.430 8.092 5.245 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.515 9.572 4.838 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.818 7.471 5.329 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.470 9.841 3.692 1.00 0.47 C ATOM 0 H ILE A 95 -4.897 8.908 6.135 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.428 8.072 7.401 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.861 7.566 4.478 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.826 10.159 5.702 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.520 9.919 4.558 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.325 7.582 4.370 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.729 6.412 5.572 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.395 7.974 6.105 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.474 10.907 3.464 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.149 9.283 2.812 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.475 9.527 3.974 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.910 5.563 7.062 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.437 4.186 7.197 1.00 0.34 C ATOM 1483 C ASN A 96 -7.280 3.215 6.367 1.00 0.34 C ATOM 1484 O ASN A 96 -8.505 3.313 6.328 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.460 3.763 8.666 1.00 0.38 C ATOM 1486 CG ASN A 96 -5.855 4.812 9.579 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -6.549 5.933 9.732 1.00 2.04 O flip ATOM 1488 ND2 ASN A 96 -4.777 4.617 10.139 1.00 1.12 N flip ATOM 0 H ASN A 96 -7.899 5.693 7.275 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.414 4.151 6.822 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.489 3.571 8.970 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.914 2.827 8.780 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -4.278 3.740 9.993 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -4.383 5.333 10.750 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.603 2.270 5.714 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.273 1.265 4.892 1.00 0.34 C ATOM 1497 C HIS A 97 -6.692 -0.123 5.165 1.00 0.33 C ATOM 1498 O HIS A 97 -5.476 -0.296 5.191 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.128 1.610 3.409 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.475 3.032 3.092 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -6.626 3.882 2.413 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -8.589 3.754 3.363 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -7.201 5.065 2.283 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.391 5.012 2.850 1.00 0.85 N ATOM 0 H HIS A 97 -5.587 2.181 5.739 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.332 1.258 5.151 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.102 1.416 3.097 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.769 0.949 2.826 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -9.468 3.405 3.885 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -6.770 5.927 1.796 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -9.058 5.783 2.899 1.00 0.85 H new ATOM 1513 N THR A 98 -7.561 -1.107 5.386 1.00 0.35 N ATOM 1514 CA THR A 98 -7.107 -2.466 5.674 1.00 0.35 C ATOM 1515 C THR A 98 -7.457 -3.440 4.550 1.00 0.35 C ATOM 1516 O THR A 98 -8.604 -3.510 4.109 1.00 0.36 O ATOM 1517 CB THR A 98 -7.714 -2.991 6.988 1.00 0.38 C ATOM 1518 OG1 THR A 98 -8.093 -1.894 7.827 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.722 -3.881 7.723 1.00 1.36 C ATOM 0 H THR A 98 -8.574 -0.991 5.372 1.00 0.35 H new ATOM 0 HA THR A 98 -6.022 -2.410 5.766 1.00 0.35 H new ATOM 0 HB THR A 98 -8.597 -3.581 6.745 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.480 -2.237 8.660 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.172 -4.241 8.648 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.459 -4.731 7.093 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.823 -3.310 7.955 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.461 -4.203 4.104 1.00 0.39 N ATOM 1528 CA TYR A 99 -6.654 -5.192 3.045 1.00 0.42 C ATOM 1529 C TYR A 99 -6.368 -6.598 3.582 1.00 0.42 C ATOM 1530 O TYR A 99 -5.361 -6.813 4.260 1.00 0.45 O ATOM 1531 CB TYR A 99 -5.745 -4.883 1.850 1.00 0.53 C ATOM 1532 CG TYR A 99 -5.695 -3.417 1.483 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -6.777 -2.584 1.728 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -4.565 -2.867 0.891 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -6.736 -1.245 1.394 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -4.516 -1.529 0.554 1.00 0.96 C ATOM 1537 CZ TYR A 99 -5.604 -0.721 0.809 1.00 0.81 C ATOM 1538 OH TYR A 99 -5.561 0.612 0.476 1.00 0.96 O ATOM 0 H TYR A 99 -5.507 -4.155 4.462 1.00 0.39 H new ATOM 0 HA TYR A 99 -7.690 -5.147 2.709 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -4.735 -5.226 2.076 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.090 -5.452 0.987 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -7.666 -2.990 2.188 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -3.711 -3.497 0.691 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -7.588 -0.611 1.591 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -3.630 -1.117 0.093 1.00 0.96 H new ATOM 0 HH TYR A 99 -4.765 0.788 -0.068 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.273 -7.543 3.313 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.110 -8.897 3.816 1.00 0.44 C ATOM 1550 C HIS A 100 -6.515 -9.865 2.790 1.00 0.42 C ATOM 1551 O HIS A 100 -7.218 -10.433 1.967 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.456 -9.435 4.304 1.00 0.53 C ATOM 1553 CG HIS A 100 -8.700 -9.205 5.762 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -9.065 -7.979 6.282 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -8.630 -10.052 6.817 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -9.207 -8.082 7.592 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -8.950 -9.329 7.940 1.00 1.70 N ATOM 0 H HIS A 100 -8.114 -7.392 2.756 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.398 -8.835 4.639 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.255 -8.964 3.732 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.506 -10.505 4.100 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -8.371 -11.100 6.782 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -9.486 -7.283 8.263 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -8.984 -9.697 8.891 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.218 -10.111 2.889 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.557 -11.047 1.987 1.00 0.45 C ATOM 1568 C LEU A 101 -4.510 -12.439 2.599 1.00 0.48 C ATOM 1569 O LEU A 101 -4.461 -12.584 3.820 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.144 -10.572 1.643 1.00 0.51 C ATOM 1571 CG LEU A 101 -2.926 -9.059 1.727 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -1.451 -8.726 1.567 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -3.756 -8.342 0.673 1.00 1.63 C ATOM 0 H LEU A 101 -4.604 -9.680 3.580 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.137 -11.090 1.065 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.440 -11.062 2.315 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.903 -10.902 0.633 1.00 0.51 H new ATOM 0 HG LEU A 101 -3.251 -8.716 2.709 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -1.313 -7.647 1.629 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -0.881 -9.211 2.359 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -1.101 -9.081 0.598 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -3.589 -7.267 0.747 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -3.462 -8.687 -0.318 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -4.812 -8.557 0.834 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.513 -13.468 1.754 1.00 0.50 N ATOM 1586 CA ASP A 102 -4.456 -14.841 2.235 1.00 0.57 C ATOM 1587 C ASP A 102 -3.207 -15.533 1.703 1.00 0.54 C ATOM 1588 O ASP A 102 -2.979 -15.578 0.494 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.707 -15.610 1.804 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.931 -16.860 2.632 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -6.132 -16.733 3.859 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -5.909 -17.968 2.054 1.00 2.34 O ATOM 0 H ASP A 102 -4.554 -13.375 0.739 1.00 0.50 H new ATOM 0 HA ASP A 102 -4.414 -14.826 3.324 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -6.578 -14.960 1.890 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.617 -15.885 0.753 1.00 0.65 H new ATOM 1597 N VAL A 103 -2.395 -16.065 2.611 1.00 0.63 N ATOM 1598 CA VAL A 103 -1.160 -16.744 2.230 1.00 0.68 C ATOM 1599 C VAL A 103 -1.443 -18.139 1.693 1.00 0.66 C ATOM 1600 O VAL A 103 -2.044 -18.969 2.376 1.00 0.75 O ATOM 1601 CB VAL A 103 -0.190 -16.855 3.419 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.221 -17.151 2.934 1.00 1.56 C ATOM 1603 CG2 VAL A 103 -0.222 -15.583 4.253 1.00 1.60 C ATOM 0 H VAL A 103 -2.569 -16.039 3.616 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.699 -16.142 1.447 1.00 0.68 H new ATOM 0 HB VAL A 103 -0.511 -17.684 4.050 1.00 0.89 H new ATOM 0 HG11 VAL A 103 1.892 -17.226 3.790 1.00 1.56 H new ATOM 0 HG12 VAL A 103 1.227 -18.093 2.385 1.00 1.56 H new ATOM 0 HG13 VAL A 103 1.557 -16.347 2.279 1.00 1.56 H new ATOM 0 HG21 VAL A 103 0.470 -15.679 5.090 1.00 1.60 H new ATOM 0 HG22 VAL A 103 0.072 -14.735 3.635 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -1.231 -15.422 4.633 1.00 1.60 H new ATOM 1613 N VAL A 104 -1.009 -18.392 0.463 1.00 0.66 N ATOM 1614 CA VAL A 104 -1.217 -19.688 -0.169 1.00 0.73 C ATOM 1615 C VAL A 104 0.073 -20.216 -0.786 1.00 0.83 C ATOM 1616 O VAL A 104 0.773 -19.497 -1.504 1.00 0.84 O ATOM 1617 CB VAL A 104 -2.301 -19.611 -1.261 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -2.596 -20.996 -1.817 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -3.566 -18.965 -0.713 1.00 1.27 C ATOM 0 H VAL A 104 -0.511 -17.716 -0.116 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.546 -20.371 0.614 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.929 -18.990 -2.076 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -3.364 -20.923 -2.587 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -1.688 -21.416 -2.249 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.948 -21.643 -1.014 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -4.321 -18.919 -1.498 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -3.945 -19.557 0.120 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -3.339 -17.956 -0.368 1.00 1.27 H new TER 1629 VAL A 104