USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 942 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 64 LYS NZ :NH3+ -110:sc= 0.0183 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= 0.0651 X(o=0.083,f=-0.2) USER MOD Set 2.1: A 39 MET CE :methyl -127:sc= -5.39! (180deg=-11.8!) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 138:sc= -0.174 (180deg=-1.14) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -151:sc= -1.82 (180deg=0) USER MOD Set 3.2: A 35 GLN : amide:sc= -8.73! C(o=-11!,f=-14!) USER MOD Set 4.1: A 32 LYS NZ :NH3+ -121:sc= -0.0346 (180deg=-0.0576) USER MOD Set 4.2: A 111 MET CE :methyl 155:sc= 0 (180deg=0) USER MOD Set 5.1: A 15 GLN : amide:sc= -0.0579 K(o=-0.043,f=-0.92) USER MOD Set 5.2: A 20 THR OG1 : rot 154:sc= 0.0152 USER MOD Set 6.1: A 8 MET CE :methyl -110:sc= -2.93! (180deg=-5.56!) USER MOD Set 6.2: A 85 MET CE :methyl 152:sc= -5.28! (180deg=-8.93!) USER MOD Set 7.1: A 6 MET CE :methyl -170:sc= -1.18 (180deg=-0.284) USER MOD Set 7.2: A 61 HIS : no HD1:sc= -2.67 K(o=-3.8,f=-1.6) USER MOD Single : A 17 ASN : amide:sc= -0.705 X(o=-0.7,f=-1.2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0515 X(o=-0.052,f=-0.032) USER MOD Single : A 28 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.13) USER MOD Single : A 44 HIS : no HD1:sc=-0.00883 X(o=-0.0088,f=-0.0027) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -6.84! C(o=-6.8!,f=-9.7!) USER MOD Single : A 62 THR OG1 : rot -43:sc= 0.394 USER MOD Single : A 65 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.42) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -149:sc= -0.529 (180deg=-2.66!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 92:sc= 0.0747 USER MOD Single : A 83 CYS SG : rot 78:sc= 1.12 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 87 SER OG : rot 180:sc= 0.17 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.07) USER MOD Single : A 103 ASN : amide:sc= -0.266 K(o=-0.27,f=-3.4!) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 35:sc= -4.02! USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 89.914 -3.410 -23.462 1.00 0.00 N ATOM 2 CA PRO A 2 90.406 -2.070 -23.828 1.00 0.00 C ATOM 3 C PRO A 2 91.676 -1.731 -23.040 1.00 0.00 C ATOM 4 O PRO A 2 92.323 -2.596 -22.482 1.00 0.00 O ATOM 5 CB PRO A 2 89.255 -1.144 -23.426 1.00 0.00 C ATOM 6 CG PRO A 2 88.433 -1.906 -22.359 1.00 0.00 C ATOM 7 CD PRO A 2 88.764 -3.401 -22.534 1.00 0.00 C ATOM 0 HA PRO A 2 90.670 -1.984 -24.882 1.00 0.00 H new ATOM 0 HB2 PRO A 2 89.635 -0.204 -23.025 1.00 0.00 H new ATOM 0 HB3 PRO A 2 88.637 -0.896 -24.289 1.00 0.00 H new ATOM 0 HG2 PRO A 2 88.691 -1.567 -21.356 1.00 0.00 H new ATOM 0 HG3 PRO A 2 87.366 -1.727 -22.491 1.00 0.00 H new ATOM 0 HD2 PRO A 2 89.017 -3.867 -21.582 1.00 0.00 H new ATOM 0 HD3 PRO A 2 87.917 -3.951 -22.944 1.00 0.00 H new ATOM 17 N VAL A 3 92.037 -0.478 -22.995 1.00 0.00 N ATOM 18 CA VAL A 3 93.262 -0.078 -22.249 1.00 0.00 C ATOM 19 C VAL A 3 93.153 -0.538 -20.793 1.00 0.00 C ATOM 20 O VAL A 3 92.243 -0.165 -20.081 1.00 0.00 O ATOM 21 CB VAL A 3 93.409 1.444 -22.290 1.00 0.00 C ATOM 22 CG1 VAL A 3 92.109 2.099 -21.817 1.00 0.00 C ATOM 23 CG2 VAL A 3 94.558 1.872 -21.372 1.00 0.00 C ATOM 0 H VAL A 3 91.535 0.288 -23.444 1.00 0.00 H new ATOM 0 HA VAL A 3 94.133 -0.543 -22.711 1.00 0.00 H new ATOM 0 HB VAL A 3 93.622 1.758 -23.312 1.00 0.00 H new ATOM 0 HG11 VAL A 3 92.216 3.183 -21.847 1.00 0.00 H new ATOM 0 HG12 VAL A 3 91.291 1.797 -22.471 1.00 0.00 H new ATOM 0 HG13 VAL A 3 91.893 1.784 -20.796 1.00 0.00 H new ATOM 0 HG21 VAL A 3 94.663 2.957 -21.401 1.00 0.00 H new ATOM 0 HG22 VAL A 3 94.345 1.556 -20.351 1.00 0.00 H new ATOM 0 HG23 VAL A 3 95.485 1.409 -21.710 1.00 0.00 H new ATOM 33 N GLU A 4 94.080 -1.341 -20.345 1.00 0.00 N ATOM 34 CA GLU A 4 94.033 -1.820 -18.935 1.00 0.00 C ATOM 35 C GLU A 4 94.638 -0.751 -18.022 1.00 0.00 C ATOM 36 O GLU A 4 94.167 -0.513 -16.928 1.00 0.00 O ATOM 37 CB GLU A 4 94.834 -3.117 -18.808 1.00 0.00 C ATOM 38 CG GLU A 4 96.294 -2.856 -19.183 1.00 0.00 C ATOM 39 CD GLU A 4 96.906 -4.128 -19.776 1.00 0.00 C ATOM 40 OE1 GLU A 4 96.153 -5.038 -20.077 1.00 0.00 O ATOM 41 OE2 GLU A 4 98.117 -4.167 -19.921 1.00 0.00 O ATOM 0 H GLU A 4 94.867 -1.685 -20.895 1.00 0.00 H new ATOM 0 HA GLU A 4 92.999 -2.007 -18.645 1.00 0.00 H new ATOM 0 HB2 GLU A 4 94.772 -3.496 -17.788 1.00 0.00 H new ATOM 0 HB3 GLU A 4 94.412 -3.882 -19.459 1.00 0.00 H new ATOM 0 HG2 GLU A 4 96.355 -2.041 -19.904 1.00 0.00 H new ATOM 0 HG3 GLU A 4 96.857 -2.546 -18.302 1.00 0.00 H new ATOM 48 N ARG A 5 95.678 -0.099 -18.469 1.00 0.00 N ATOM 49 CA ARG A 5 96.313 0.962 -17.638 1.00 0.00 C ATOM 50 C ARG A 5 96.532 0.447 -16.213 1.00 0.00 C ATOM 51 O ARG A 5 95.704 0.644 -15.346 1.00 0.00 O ATOM 52 CB ARG A 5 95.400 2.189 -17.599 1.00 0.00 C ATOM 53 CG ARG A 5 95.950 3.265 -18.539 1.00 0.00 C ATOM 54 CD ARG A 5 95.556 4.649 -18.021 1.00 0.00 C ATOM 55 NE ARG A 5 96.346 5.689 -18.738 1.00 0.00 N ATOM 56 CZ ARG A 5 97.628 5.810 -18.516 1.00 0.00 C ATOM 57 NH1 ARG A 5 98.222 5.022 -17.661 1.00 0.00 N ATOM 58 NH2 ARG A 5 98.317 6.717 -19.152 1.00 0.00 N ATOM 0 H ARG A 5 96.116 -0.257 -19.377 1.00 0.00 H new ATOM 0 HA ARG A 5 97.275 1.232 -18.074 1.00 0.00 H new ATOM 0 HB2 ARG A 5 94.389 1.913 -17.898 1.00 0.00 H new ATOM 0 HB3 ARG A 5 95.337 2.577 -16.582 1.00 0.00 H new ATOM 0 HG2 ARG A 5 97.035 3.185 -18.604 1.00 0.00 H new ATOM 0 HG3 ARG A 5 95.559 3.117 -19.546 1.00 0.00 H new ATOM 0 HD2 ARG A 5 94.490 4.817 -18.174 1.00 0.00 H new ATOM 0 HD3 ARG A 5 95.738 4.713 -16.948 1.00 0.00 H new ATOM 0 HE ARG A 5 95.885 6.308 -19.404 1.00 0.00 H new ATOM 0 HH11 ARG A 5 97.685 4.310 -17.165 1.00 0.00 H new ATOM 0 HH12 ARG A 5 99.223 5.118 -17.489 1.00 0.00 H new ATOM 0 HH21 ARG A 5 97.855 7.331 -19.822 1.00 0.00 H new ATOM 0 HH22 ARG A 5 99.318 6.812 -18.979 1.00 0.00 H new ATOM 72 N MET A 6 97.651 -0.194 -15.974 1.00 0.00 N ATOM 73 CA MET A 6 97.967 -0.732 -14.613 1.00 0.00 C ATOM 74 C MET A 6 96.684 -1.148 -13.878 1.00 0.00 C ATOM 75 O MET A 6 95.684 -1.474 -14.488 1.00 0.00 O ATOM 76 CB MET A 6 98.680 0.357 -13.806 1.00 0.00 C ATOM 77 CG MET A 6 100.039 -0.161 -13.330 1.00 0.00 C ATOM 78 SD MET A 6 100.737 1.003 -12.132 1.00 0.00 S ATOM 79 CE MET A 6 99.863 0.379 -10.675 1.00 0.00 C ATOM 0 H MET A 6 98.370 -0.370 -16.676 1.00 0.00 H new ATOM 0 HA MET A 6 98.605 -1.610 -14.719 1.00 0.00 H new ATOM 0 HB2 MET A 6 98.814 1.248 -14.419 1.00 0.00 H new ATOM 0 HB3 MET A 6 98.070 0.647 -12.950 1.00 0.00 H new ATOM 0 HG2 MET A 6 99.927 -1.145 -12.875 1.00 0.00 H new ATOM 0 HG3 MET A 6 100.714 -0.277 -14.178 1.00 0.00 H new ATOM 0 HE1 MET A 6 100.008 1.067 -9.842 1.00 0.00 H new ATOM 0 HE2 MET A 6 98.799 0.296 -10.897 1.00 0.00 H new ATOM 0 HE3 MET A 6 100.255 -0.602 -10.408 1.00 0.00 H new ATOM 89 N ARG A 7 96.707 -1.150 -12.571 1.00 0.00 N ATOM 90 CA ARG A 7 95.494 -1.550 -11.805 1.00 0.00 C ATOM 91 C ARG A 7 95.803 -1.541 -10.306 1.00 0.00 C ATOM 92 O ARG A 7 96.944 -1.425 -9.894 1.00 0.00 O ATOM 93 CB ARG A 7 95.061 -2.956 -12.226 1.00 0.00 C ATOM 94 CG ARG A 7 93.542 -3.082 -12.097 1.00 0.00 C ATOM 95 CD ARG A 7 92.917 -3.194 -13.489 1.00 0.00 C ATOM 96 NE ARG A 7 91.730 -2.296 -13.573 1.00 0.00 N ATOM 97 CZ ARG A 7 90.590 -2.662 -13.048 1.00 0.00 C ATOM 98 NH1 ARG A 7 90.482 -3.816 -12.446 1.00 0.00 N ATOM 99 NH2 ARG A 7 89.555 -1.870 -13.122 1.00 0.00 N ATOM 0 H ARG A 7 97.514 -0.892 -12.003 1.00 0.00 H new ATOM 0 HA ARG A 7 94.690 -0.844 -12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 7 95.367 -3.150 -13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.553 -3.702 -11.602 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.289 -3.959 -11.502 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.138 -2.215 -11.574 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.648 -2.921 -14.251 1.00 0.00 H new ATOM 0 HD3 ARG A 7 92.622 -4.225 -13.685 1.00 0.00 H new ATOM 0 HE ARG A 7 91.808 -1.393 -14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 7 91.289 -4.436 -12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 7 89.590 -4.097 -12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 7 89.636 -0.967 -13.589 1.00 0.00 H new ATOM 0 HH22 ARG A 7 88.665 -2.154 -12.713 1.00 0.00 H new ATOM 113 N MET A 8 94.796 -1.665 -9.488 1.00 0.00 N ATOM 114 CA MET A 8 95.025 -1.664 -8.018 1.00 0.00 C ATOM 115 C MET A 8 95.857 -2.892 -7.620 1.00 0.00 C ATOM 116 O MET A 8 96.594 -2.869 -6.653 1.00 0.00 O ATOM 117 CB MET A 8 93.677 -1.715 -7.295 1.00 0.00 C ATOM 118 CG MET A 8 93.907 -1.970 -5.804 1.00 0.00 C ATOM 119 SD MET A 8 93.220 -0.600 -4.843 1.00 0.00 S ATOM 120 CE MET A 8 93.344 -1.380 -3.216 1.00 0.00 C ATOM 0 H MET A 8 93.823 -1.767 -9.775 1.00 0.00 H new ATOM 0 HA MET A 8 95.561 -0.757 -7.739 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.141 -0.776 -7.436 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.055 -2.504 -7.718 1.00 0.00 H new ATOM 0 HG2 MET A 8 93.436 -2.908 -5.508 1.00 0.00 H new ATOM 0 HG3 MET A 8 94.973 -2.071 -5.602 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.345 -1.618 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 8 93.929 -2.296 -3.295 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.833 -0.697 -2.521 1.00 0.00 H new ATOM 130 N ARG A 9 95.730 -3.967 -8.351 1.00 0.00 N ATOM 131 CA ARG A 9 96.494 -5.207 -8.014 1.00 0.00 C ATOM 132 C ARG A 9 98.002 -4.923 -7.992 1.00 0.00 C ATOM 133 O ARG A 9 98.650 -5.104 -6.977 1.00 0.00 O ATOM 134 CB ARG A 9 96.188 -6.288 -9.054 1.00 0.00 C ATOM 135 CG ARG A 9 95.150 -7.259 -8.491 1.00 0.00 C ATOM 136 CD ARG A 9 94.755 -8.267 -9.572 1.00 0.00 C ATOM 137 NE ARG A 9 95.911 -9.161 -9.864 1.00 0.00 N ATOM 138 CZ ARG A 9 96.251 -10.095 -9.014 1.00 0.00 C ATOM 139 NH1 ARG A 9 95.578 -10.250 -7.905 1.00 0.00 N ATOM 140 NH2 ARG A 9 97.265 -10.873 -9.274 1.00 0.00 N ATOM 0 H ARG A 9 95.128 -4.042 -9.171 1.00 0.00 H new ATOM 0 HA ARG A 9 96.192 -5.550 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.814 -5.831 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.100 -6.825 -9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 9 95.556 -7.780 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.271 -6.711 -8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 9 93.901 -8.857 -9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 9 94.448 -7.744 -10.478 1.00 0.00 H new ATOM 0 HE ARG A 9 96.439 -9.044 -10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 9 94.785 -9.642 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 9 95.845 -10.979 -7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 9 97.792 -10.753 -10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 9 97.531 -11.602 -8.612 1.00 0.00 H new ATOM 154 N PRO A 10 98.523 -4.488 -9.111 1.00 0.00 N ATOM 155 CA PRO A 10 99.955 -4.175 -9.242 1.00 0.00 C ATOM 156 C PRO A 10 100.297 -2.914 -8.450 1.00 0.00 C ATOM 157 O PRO A 10 101.402 -2.745 -7.976 1.00 0.00 O ATOM 158 CB PRO A 10 100.150 -3.970 -10.744 1.00 0.00 C ATOM 159 CG PRO A 10 98.759 -3.638 -11.312 1.00 0.00 C ATOM 160 CD PRO A 10 97.738 -4.248 -10.335 1.00 0.00 C ATOM 0 HA PRO A 10 100.606 -4.956 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 10 100.854 -3.161 -10.939 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.558 -4.867 -11.210 1.00 0.00 H new ATOM 0 HG2 PRO A 10 98.620 -2.560 -11.397 1.00 0.00 H new ATOM 0 HG3 PRO A 10 98.638 -4.055 -12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 10 96.906 -3.569 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.313 -5.173 -10.726 1.00 0.00 H new ATOM 168 N TRP A 11 99.349 -2.033 -8.294 1.00 0.00 N ATOM 169 CA TRP A 11 99.611 -0.789 -7.521 1.00 0.00 C ATOM 170 C TRP A 11 99.946 -1.154 -6.070 1.00 0.00 C ATOM 171 O TRP A 11 100.838 -0.586 -5.462 1.00 0.00 O ATOM 172 CB TRP A 11 98.356 0.086 -7.548 1.00 0.00 C ATOM 173 CG TRP A 11 98.642 1.396 -6.886 1.00 0.00 C ATOM 174 CD1 TRP A 11 98.772 2.575 -7.530 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.836 1.679 -5.471 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.031 3.567 -6.603 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.082 3.065 -5.319 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.824 0.875 -4.318 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.307 3.636 -4.063 1.00 0.00 C ATOM 180 CZ3 TRP A 11 99.054 1.442 -3.055 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.293 2.817 -2.927 1.00 0.00 C ATOM 0 H TRP A 11 98.404 -2.121 -8.669 1.00 0.00 H new ATOM 0 HA TRP A 11 100.449 -0.248 -7.962 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.037 0.250 -8.577 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.537 -0.420 -7.037 1.00 0.00 H new ATOM 0 HD1 TRP A 11 98.687 2.720 -8.597 1.00 0.00 H new ATOM 0 HE1 TRP A 11 99.168 4.550 -6.839 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.637 -0.185 -4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 99.490 4.696 -3.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 99.047 0.815 -2.176 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.467 3.246 -1.951 1.00 0.00 H new ATOM 192 N LEU A 12 99.236 -2.098 -5.510 1.00 0.00 N ATOM 193 CA LEU A 12 99.499 -2.500 -4.101 1.00 0.00 C ATOM 194 C LEU A 12 100.652 -3.500 -4.066 1.00 0.00 C ATOM 195 O LEU A 12 101.409 -3.550 -3.121 1.00 0.00 O ATOM 196 CB LEU A 12 98.239 -3.136 -3.511 1.00 0.00 C ATOM 197 CG LEU A 12 97.450 -2.076 -2.738 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.531 -1.320 -3.698 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.607 -2.753 -1.656 1.00 0.00 C ATOM 0 H LEU A 12 98.483 -2.608 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 12 99.767 -1.623 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.623 -3.556 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.509 -3.959 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 12 98.145 -1.377 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 12 95.970 -0.566 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 12 97.130 -0.835 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 12 95.837 -2.020 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 12 96.046 -1.997 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.913 -3.454 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 12 97.260 -3.291 -0.969 1.00 0.00 H new ATOM 211 N GLU A 13 100.805 -4.291 -5.089 1.00 0.00 N ATOM 212 CA GLU A 13 101.929 -5.265 -5.091 1.00 0.00 C ATOM 213 C GLU A 13 103.249 -4.492 -5.081 1.00 0.00 C ATOM 214 O GLU A 13 104.212 -4.891 -4.456 1.00 0.00 O ATOM 215 CB GLU A 13 101.855 -6.137 -6.346 1.00 0.00 C ATOM 216 CG GLU A 13 102.417 -7.525 -6.037 1.00 0.00 C ATOM 217 CD GLU A 13 103.737 -7.721 -6.784 1.00 0.00 C ATOM 218 OE1 GLU A 13 103.824 -7.284 -7.919 1.00 0.00 O ATOM 219 OE2 GLU A 13 104.642 -8.303 -6.207 1.00 0.00 O ATOM 0 H GLU A 13 100.208 -4.306 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 13 101.865 -5.905 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.822 -6.218 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 13 102.421 -5.676 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 13 102.575 -7.634 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 13 101.702 -8.292 -6.334 1.00 0.00 H new ATOM 226 N GLU A 14 103.295 -3.380 -5.767 1.00 0.00 N ATOM 227 CA GLU A 14 104.546 -2.573 -5.805 1.00 0.00 C ATOM 228 C GLU A 14 104.622 -1.664 -4.575 1.00 0.00 C ATOM 229 O GLU A 14 105.583 -1.697 -3.834 1.00 0.00 O ATOM 230 CB GLU A 14 104.560 -1.716 -7.071 1.00 0.00 C ATOM 231 CG GLU A 14 104.597 -2.627 -8.300 1.00 0.00 C ATOM 232 CD GLU A 14 105.170 -1.857 -9.492 1.00 0.00 C ATOM 233 OE1 GLU A 14 106.259 -1.324 -9.359 1.00 0.00 O ATOM 234 OE2 GLU A 14 104.510 -1.815 -10.516 1.00 0.00 O ATOM 0 H GLU A 14 102.517 -2.997 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 14 105.404 -3.245 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.676 -1.080 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 14 105.428 -1.056 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.207 -3.507 -8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 14 103.593 -2.982 -8.532 1.00 0.00 H new ATOM 241 N GLN A 15 103.626 -0.850 -4.347 1.00 0.00 N ATOM 242 CA GLN A 15 103.667 0.051 -3.158 1.00 0.00 C ATOM 243 C GLN A 15 103.944 -0.776 -1.904 1.00 0.00 C ATOM 244 O GLN A 15 104.570 -0.318 -0.967 1.00 0.00 O ATOM 245 CB GLN A 15 102.324 0.763 -3.012 1.00 0.00 C ATOM 246 CG GLN A 15 102.029 1.543 -4.291 1.00 0.00 C ATOM 247 CD GLN A 15 102.828 2.846 -4.290 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.896 3.531 -3.288 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.443 3.217 -5.377 1.00 0.00 N ATOM 0 H GLN A 15 102.791 -0.770 -4.928 1.00 0.00 H new ATOM 0 HA GLN A 15 104.457 0.790 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.533 0.038 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.348 1.439 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 15 102.291 0.944 -5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.963 1.758 -4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.385 2.642 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.982 4.083 -5.388 1.00 0.00 H new ATOM 258 N ILE A 16 103.480 -1.989 -1.881 1.00 0.00 N ATOM 259 CA ILE A 16 103.707 -2.854 -0.690 1.00 0.00 C ATOM 260 C ILE A 16 105.102 -3.476 -0.762 1.00 0.00 C ATOM 261 O ILE A 16 105.907 -3.322 0.136 1.00 0.00 O ATOM 262 CB ILE A 16 102.653 -3.962 -0.662 1.00 0.00 C ATOM 263 CG1 ILE A 16 101.264 -3.337 -0.561 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.885 -4.861 0.552 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.204 -4.414 -0.800 1.00 0.00 C ATOM 0 H ILE A 16 102.951 -2.423 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 16 103.630 -2.252 0.216 1.00 0.00 H new ATOM 0 HB ILE A 16 102.728 -4.553 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 16 101.126 -2.887 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 16 101.158 -2.538 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.133 -5.650 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.877 -5.307 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.810 -4.268 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.211 -3.970 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.339 -4.843 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.306 -5.198 -0.049 1.00 0.00 H new ATOM 277 N ASN A 17 105.400 -4.181 -1.820 1.00 0.00 N ATOM 278 CA ASN A 17 106.746 -4.811 -1.934 1.00 0.00 C ATOM 279 C ASN A 17 107.821 -3.792 -1.549 1.00 0.00 C ATOM 280 O ASN A 17 108.852 -4.138 -1.007 1.00 0.00 O ATOM 281 CB ASN A 17 106.976 -5.278 -3.373 1.00 0.00 C ATOM 282 CG ASN A 17 106.802 -6.796 -3.450 1.00 0.00 C ATOM 283 OD1 ASN A 17 106.144 -7.386 -2.616 1.00 0.00 O ATOM 284 ND2 ASN A 17 107.371 -7.459 -4.420 1.00 0.00 N ATOM 0 H ASN A 17 104.773 -4.347 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 17 106.801 -5.669 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.271 -4.786 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.977 -4.999 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.263 -8.472 -4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 17 107.923 -6.964 -5.120 1.00 0.00 H new ATOM 291 N SER A 18 107.591 -2.539 -1.830 1.00 0.00 N ATOM 292 CA SER A 18 108.600 -1.498 -1.484 1.00 0.00 C ATOM 293 C SER A 18 108.330 -0.955 -0.081 1.00 0.00 C ATOM 294 O SER A 18 109.242 -0.621 0.648 1.00 0.00 O ATOM 295 CB SER A 18 108.520 -0.354 -2.495 1.00 0.00 C ATOM 296 OG SER A 18 109.722 -0.313 -3.252 1.00 0.00 O ATOM 0 H SER A 18 106.747 -2.191 -2.285 1.00 0.00 H new ATOM 0 HA SER A 18 109.595 -1.943 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.665 -0.496 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 18 108.369 0.594 -1.978 1.00 0.00 H new ATOM 0 HG SER A 18 109.674 0.418 -3.903 1.00 0.00 H new ATOM 302 N ASN A 19 107.084 -0.850 0.299 1.00 0.00 N ATOM 303 CA ASN A 19 106.757 -0.317 1.653 1.00 0.00 C ATOM 304 C ASN A 19 106.889 1.207 1.630 1.00 0.00 C ATOM 305 O ASN A 19 107.920 1.758 1.959 1.00 0.00 O ATOM 306 CB ASN A 19 107.724 -0.900 2.685 1.00 0.00 C ATOM 307 CG ASN A 19 106.976 -1.171 3.991 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.989 -2.277 4.493 1.00 0.00 O ATOM 309 ND2 ASN A 19 106.318 -0.202 4.565 1.00 0.00 N ATOM 0 H ASN A 19 106.279 -1.111 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 19 105.739 -0.597 1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.163 -1.823 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.546 -0.206 2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 19 105.814 -0.373 5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 19 106.307 0.727 4.143 1.00 0.00 H new ATOM 316 N THR A 20 105.852 1.892 1.232 1.00 0.00 N ATOM 317 CA THR A 20 105.919 3.379 1.174 1.00 0.00 C ATOM 318 C THR A 20 105.002 3.985 2.237 1.00 0.00 C ATOM 319 O THR A 20 105.200 5.101 2.675 1.00 0.00 O ATOM 320 CB THR A 20 105.464 3.845 -0.211 1.00 0.00 C ATOM 321 OG1 THR A 20 105.151 2.712 -1.009 1.00 0.00 O ATOM 322 CG2 THR A 20 106.582 4.647 -0.875 1.00 0.00 C ATOM 0 H THR A 20 104.962 1.486 0.945 1.00 0.00 H new ATOM 0 HA THR A 20 106.943 3.702 1.360 1.00 0.00 H new ATOM 0 HB THR A 20 104.580 4.475 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.494 2.964 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 20 106.256 4.978 -1.861 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.821 5.516 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 20 107.468 4.020 -0.977 1.00 0.00 H new ATOM 330 N ILE A 21 103.995 3.267 2.652 1.00 0.00 N ATOM 331 CA ILE A 21 103.066 3.817 3.679 1.00 0.00 C ATOM 332 C ILE A 21 103.321 3.134 5.029 1.00 0.00 C ATOM 333 O ILE A 21 103.420 1.923 5.097 1.00 0.00 O ATOM 334 CB ILE A 21 101.623 3.561 3.243 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.514 3.747 1.729 1.00 0.00 C ATOM 336 CG2 ILE A 21 100.691 4.552 3.941 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.960 5.161 1.357 1.00 0.00 C ATOM 0 H ILE A 21 103.776 2.326 2.326 1.00 0.00 H new ATOM 0 HA ILE A 21 103.234 4.889 3.782 1.00 0.00 H new ATOM 0 HB ILE A 21 101.338 2.544 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.134 3.012 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.487 3.581 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 21 99.663 4.367 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 21 100.770 4.427 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 21 100.975 5.570 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.883 5.295 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.322 5.888 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.994 5.310 1.668 1.00 0.00 H new ATOM 349 N PRO A 22 103.411 3.929 6.069 1.00 0.00 N ATOM 350 CA PRO A 22 103.651 3.423 7.432 1.00 0.00 C ATOM 351 C PRO A 22 102.370 2.803 7.989 1.00 0.00 C ATOM 352 O PRO A 22 101.682 3.388 8.803 1.00 0.00 O ATOM 353 CB PRO A 22 104.052 4.675 8.217 1.00 0.00 C ATOM 354 CG PRO A 22 103.485 5.881 7.433 1.00 0.00 C ATOM 355 CD PRO A 22 103.271 5.398 5.987 1.00 0.00 C ATOM 0 HA PRO A 22 104.413 2.645 7.481 1.00 0.00 H new ATOM 0 HB2 PRO A 22 103.648 4.645 9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 22 105.136 4.746 8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 22 102.547 6.223 7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 22 104.176 6.723 7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 22 102.288 5.684 5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 22 104.007 5.831 5.310 1.00 0.00 H new ATOM 363 N GLY A 23 102.043 1.625 7.543 1.00 0.00 N ATOM 364 CA GLY A 23 100.806 0.954 8.023 1.00 0.00 C ATOM 365 C GLY A 23 100.320 -0.013 6.946 1.00 0.00 C ATOM 366 O GLY A 23 99.561 -0.925 7.211 1.00 0.00 O ATOM 0 H GLY A 23 102.584 1.094 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.004 0.417 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.036 1.694 8.241 1.00 0.00 H new ATOM 370 N LEU A 24 100.758 0.175 5.728 1.00 0.00 N ATOM 371 CA LEU A 24 100.333 -0.734 4.637 1.00 0.00 C ATOM 372 C LEU A 24 101.546 -1.581 4.223 1.00 0.00 C ATOM 373 O LEU A 24 102.588 -1.051 3.889 1.00 0.00 O ATOM 374 CB LEU A 24 99.808 0.117 3.460 1.00 0.00 C ATOM 375 CG LEU A 24 100.343 -0.406 2.124 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.720 -1.771 1.832 1.00 0.00 C ATOM 377 CD2 LEU A 24 99.988 0.571 0.999 1.00 0.00 C ATOM 0 H LEU A 24 101.393 0.922 5.447 1.00 0.00 H new ATOM 0 HA LEU A 24 99.532 -1.400 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.718 0.099 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.109 1.156 3.595 1.00 0.00 H new ATOM 0 HG LEU A 24 101.427 -0.501 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.098 -2.148 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.981 -2.468 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.636 -1.672 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.372 0.191 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.905 0.675 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.434 1.544 1.208 1.00 0.00 H new ATOM 389 N LYS A 25 101.434 -2.883 4.238 1.00 0.00 N ATOM 390 CA LYS A 25 102.617 -3.710 3.836 1.00 0.00 C ATOM 391 C LYS A 25 102.255 -5.197 3.702 1.00 0.00 C ATOM 392 O LYS A 25 101.189 -5.637 4.094 1.00 0.00 O ATOM 393 CB LYS A 25 103.731 -3.546 4.870 1.00 0.00 C ATOM 394 CG LYS A 25 103.115 -3.340 6.249 1.00 0.00 C ATOM 395 CD LYS A 25 102.318 -4.584 6.628 1.00 0.00 C ATOM 396 CE LYS A 25 102.559 -4.915 8.103 1.00 0.00 C ATOM 397 NZ LYS A 25 101.421 -4.406 8.919 1.00 0.00 N ATOM 0 H LYS A 25 100.598 -3.403 4.504 1.00 0.00 H new ATOM 0 HA LYS A 25 102.954 -3.359 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.372 -4.428 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.361 -2.695 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.896 -3.154 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.466 -2.464 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.256 -4.416 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.617 -5.425 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.660 -5.992 8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.492 -4.464 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 101.756 -4.173 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 101.028 -3.553 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 100.683 -5.136 8.979 1.00 0.00 H new ATOM 411 N TRP A 26 103.158 -5.968 3.139 1.00 0.00 N ATOM 412 CA TRP A 26 102.924 -7.433 2.947 1.00 0.00 C ATOM 413 C TRP A 26 103.144 -8.182 4.263 1.00 0.00 C ATOM 414 O TRP A 26 104.266 -8.467 4.630 1.00 0.00 O ATOM 415 CB TRP A 26 103.950 -7.991 1.950 1.00 0.00 C ATOM 416 CG TRP A 26 103.500 -7.823 0.533 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.183 -7.138 -0.410 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.314 -8.355 -0.128 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.492 -7.209 -1.604 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.333 -7.944 -1.482 1.00 0.00 C ATOM 421 CE3 TRP A 26 101.236 -9.140 0.308 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.317 -8.300 -2.370 1.00 0.00 C ATOM 423 CZ3 TRP A 26 100.211 -9.502 -0.582 1.00 0.00 C ATOM 424 CH2 TRP A 26 100.252 -9.081 -1.918 1.00 0.00 C ATOM 0 H TRP A 26 104.061 -5.636 2.800 1.00 0.00 H new ATOM 0 HA TRP A 26 101.903 -7.566 2.589 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.905 -7.484 2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 26 104.117 -9.048 2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.118 -6.619 -0.255 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.802 -6.770 -2.471 1.00 0.00 H new ATOM 0 HE3 TRP A 26 101.194 -9.469 1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.354 -7.974 -3.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.387 -10.108 -0.235 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.460 -9.361 -2.597 1.00 0.00 H new ATOM 435 N LEU A 27 102.109 -8.554 4.961 1.00 0.00 N ATOM 436 CA LEU A 27 102.338 -9.331 6.208 1.00 0.00 C ATOM 437 C LEU A 27 103.058 -10.612 5.805 1.00 0.00 C ATOM 438 O LEU A 27 103.911 -11.123 6.505 1.00 0.00 O ATOM 439 CB LEU A 27 101.005 -9.688 6.865 1.00 0.00 C ATOM 440 CG LEU A 27 100.043 -8.506 6.762 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.875 -8.730 7.720 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.774 -7.215 7.139 1.00 0.00 C ATOM 0 H LEU A 27 101.135 -8.359 4.729 1.00 0.00 H new ATOM 0 HA LEU A 27 102.923 -8.748 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.573 -10.563 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.163 -9.949 7.911 1.00 0.00 H new ATOM 0 HG LEU A 27 99.671 -8.422 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.183 -7.890 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.356 -9.650 7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.251 -8.809 8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.086 -6.373 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.145 -7.292 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.612 -7.060 6.460 1.00 0.00 H new ATOM 454 N ASN A 28 102.717 -11.116 4.654 1.00 0.00 N ATOM 455 CA ASN A 28 103.355 -12.351 4.136 1.00 0.00 C ATOM 456 C ASN A 28 103.135 -12.406 2.624 1.00 0.00 C ATOM 457 O ASN A 28 102.293 -13.136 2.135 1.00 0.00 O ATOM 458 CB ASN A 28 102.719 -13.576 4.797 1.00 0.00 C ATOM 459 CG ASN A 28 103.636 -14.091 5.908 1.00 0.00 C ATOM 460 OD1 ASN A 28 104.644 -13.484 6.211 1.00 0.00 O ATOM 461 ND2 ASN A 28 103.326 -15.194 6.533 1.00 0.00 N ATOM 0 H ASN A 28 102.009 -10.714 4.040 1.00 0.00 H new ATOM 0 HA ASN A 28 104.422 -12.347 4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.744 -13.315 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.554 -14.358 4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 28 103.930 -15.546 7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 28 102.480 -15.704 6.279 1.00 0.00 H new ATOM 468 N LYS A 29 103.869 -11.623 1.880 1.00 0.00 N ATOM 469 CA LYS A 29 103.689 -11.623 0.403 1.00 0.00 C ATOM 470 C LYS A 29 103.781 -13.061 -0.112 1.00 0.00 C ATOM 471 O LYS A 29 103.239 -13.396 -1.146 1.00 0.00 O ATOM 472 CB LYS A 29 104.758 -10.742 -0.258 1.00 0.00 C ATOM 473 CG LYS A 29 106.127 -11.427 -0.213 1.00 0.00 C ATOM 474 CD LYS A 29 106.982 -10.798 0.890 1.00 0.00 C ATOM 475 CE LYS A 29 106.787 -11.571 2.196 1.00 0.00 C ATOM 476 NZ LYS A 29 108.072 -12.214 2.590 1.00 0.00 N ATOM 0 H LYS A 29 104.583 -10.985 2.232 1.00 0.00 H new ATOM 0 HA LYS A 29 102.710 -11.215 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.481 -10.540 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 29 104.810 -9.780 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.005 -12.494 -0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 29 106.627 -11.326 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 29 108.033 -10.812 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 29 106.703 -9.754 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 29 106.449 -10.897 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 29 106.013 -12.328 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 107.939 -12.739 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 108.376 -12.869 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 108.799 -11.483 2.726 1.00 0.00 H new ATOM 490 N GLU A 30 104.448 -13.922 0.613 1.00 0.00 N ATOM 491 CA GLU A 30 104.548 -15.340 0.171 1.00 0.00 C ATOM 492 C GLU A 30 103.131 -15.872 -0.032 1.00 0.00 C ATOM 493 O GLU A 30 102.735 -16.214 -1.129 1.00 0.00 O ATOM 494 CB GLU A 30 105.265 -16.166 1.241 1.00 0.00 C ATOM 495 CG GLU A 30 105.117 -17.654 0.922 1.00 0.00 C ATOM 496 CD GLU A 30 106.485 -18.333 1.002 1.00 0.00 C ATOM 497 OE1 GLU A 30 107.479 -17.631 0.916 1.00 0.00 O ATOM 498 OE2 GLU A 30 106.516 -19.545 1.147 1.00 0.00 O ATOM 0 H GLU A 30 104.925 -13.703 1.488 1.00 0.00 H new ATOM 0 HA GLU A 30 105.114 -15.409 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.320 -15.895 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 30 104.845 -15.950 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 30 104.426 -18.120 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.693 -17.783 -0.074 1.00 0.00 H new ATOM 505 N LYS A 31 102.354 -15.919 1.016 1.00 0.00 N ATOM 506 CA LYS A 31 100.952 -16.396 0.880 1.00 0.00 C ATOM 507 C LYS A 31 100.093 -15.250 0.331 1.00 0.00 C ATOM 508 O LYS A 31 98.899 -15.382 0.158 1.00 0.00 O ATOM 509 CB LYS A 31 100.418 -16.833 2.247 1.00 0.00 C ATOM 510 CG LYS A 31 100.487 -18.359 2.357 1.00 0.00 C ATOM 511 CD LYS A 31 101.499 -18.750 3.436 1.00 0.00 C ATOM 512 CE LYS A 31 100.756 -19.176 4.703 1.00 0.00 C ATOM 513 NZ LYS A 31 101.040 -20.610 4.992 1.00 0.00 N ATOM 0 H LYS A 31 102.631 -15.647 1.959 1.00 0.00 H new ATOM 0 HA LYS A 31 100.915 -17.247 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 31 101.004 -16.373 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.390 -16.495 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 31 99.504 -18.761 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 31 100.777 -18.790 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 31 102.129 -19.565 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 31 102.158 -17.909 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 31 101.067 -18.557 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 31 99.684 -19.026 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 100.534 -20.897 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 100.722 -21.195 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 102.062 -20.740 5.131 1.00 0.00 H new ATOM 527 N LYS A 32 100.709 -14.126 0.050 1.00 0.00 N ATOM 528 CA LYS A 32 99.967 -12.954 -0.503 1.00 0.00 C ATOM 529 C LYS A 32 99.049 -12.331 0.557 1.00 0.00 C ATOM 530 O LYS A 32 97.858 -12.203 0.355 1.00 0.00 O ATOM 531 CB LYS A 32 99.131 -13.392 -1.710 1.00 0.00 C ATOM 532 CG LYS A 32 99.878 -13.046 -2.999 1.00 0.00 C ATOM 533 CD LYS A 32 98.897 -13.053 -4.172 1.00 0.00 C ATOM 534 CE LYS A 32 97.735 -12.105 -3.870 1.00 0.00 C ATOM 535 NZ LYS A 32 97.024 -11.775 -5.137 1.00 0.00 N ATOM 0 H LYS A 32 101.708 -13.972 0.183 1.00 0.00 H new ATOM 0 HA LYS A 32 100.696 -12.205 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.940 -14.464 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.161 -12.895 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.347 -12.066 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 32 100.677 -13.767 -3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 32 99.404 -12.744 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 32 98.522 -14.063 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 32 97.046 -12.569 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 32 98.107 -11.194 -3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 97.045 -10.746 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 97.493 -12.252 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 96.037 -12.096 -5.075 1.00 0.00 H new ATOM 549 N ILE A 33 99.594 -11.910 1.670 1.00 0.00 N ATOM 550 CA ILE A 33 98.737 -11.262 2.713 1.00 0.00 C ATOM 551 C ILE A 33 99.201 -9.823 2.918 1.00 0.00 C ATOM 552 O ILE A 33 100.352 -9.574 3.213 1.00 0.00 O ATOM 553 CB ILE A 33 98.856 -11.989 4.049 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.465 -13.457 3.879 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.917 -11.315 5.054 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.716 -14.275 3.552 1.00 0.00 C ATOM 0 H ILE A 33 100.584 -11.985 1.902 1.00 0.00 H new ATOM 0 HA ILE A 33 97.702 -11.299 2.373 1.00 0.00 H new ATOM 0 HB ILE A 33 99.884 -11.941 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 33 98.000 -13.830 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.729 -13.560 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.989 -11.822 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.201 -10.269 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.891 -11.373 4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 33 99.444 -15.323 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 33 100.161 -13.905 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.436 -14.180 4.365 1.00 0.00 H new ATOM 568 N PHE A 34 98.326 -8.867 2.776 1.00 0.00 N ATOM 569 CA PHE A 34 98.761 -7.459 2.975 1.00 0.00 C ATOM 570 C PHE A 34 97.783 -6.720 3.894 1.00 0.00 C ATOM 571 O PHE A 34 96.582 -6.838 3.765 1.00 0.00 O ATOM 572 CB PHE A 34 98.847 -6.749 1.618 1.00 0.00 C ATOM 573 CG PHE A 34 97.469 -6.336 1.150 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.557 -7.301 0.701 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.105 -4.984 1.158 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.286 -6.911 0.260 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.834 -4.595 0.719 1.00 0.00 C ATOM 578 CZ PHE A 34 94.924 -5.559 0.270 1.00 0.00 C ATOM 0 H PHE A 34 97.344 -8.997 2.535 1.00 0.00 H new ATOM 0 HA PHE A 34 99.744 -7.457 3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.488 -5.871 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.304 -7.411 0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 34 96.834 -8.345 0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.807 -4.239 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.584 -7.655 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.556 -3.552 0.727 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.943 -5.260 -0.069 1.00 0.00 H new ATOM 588 N GLN A 35 98.302 -5.951 4.815 1.00 0.00 N ATOM 589 CA GLN A 35 97.420 -5.187 5.745 1.00 0.00 C ATOM 590 C GLN A 35 97.584 -3.696 5.464 1.00 0.00 C ATOM 591 O GLN A 35 98.676 -3.212 5.265 1.00 0.00 O ATOM 592 CB GLN A 35 97.821 -5.485 7.198 1.00 0.00 C ATOM 593 CG GLN A 35 97.284 -4.398 8.143 1.00 0.00 C ATOM 594 CD GLN A 35 98.004 -4.495 9.489 1.00 0.00 C ATOM 595 OE1 GLN A 35 97.686 -5.337 10.304 1.00 0.00 O ATOM 596 NE2 GLN A 35 98.971 -3.659 9.759 1.00 0.00 N ATOM 0 H GLN A 35 99.302 -5.819 4.963 1.00 0.00 H new ATOM 0 HA GLN A 35 96.381 -5.480 5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 35 97.431 -6.458 7.496 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.907 -5.539 7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 35 97.438 -3.412 7.706 1.00 0.00 H new ATOM 0 HG3 GLN A 35 96.210 -4.520 8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.239 -2.951 9.075 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.458 -3.714 10.654 1.00 0.00 H new ATOM 605 N ILE A 36 96.506 -2.967 5.465 1.00 0.00 N ATOM 606 CA ILE A 36 96.591 -1.498 5.218 1.00 0.00 C ATOM 607 C ILE A 36 96.185 -0.798 6.520 1.00 0.00 C ATOM 608 O ILE A 36 95.471 -1.378 7.295 1.00 0.00 O ATOM 609 CB ILE A 36 95.607 -1.144 4.089 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.243 -1.463 2.737 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.224 0.340 4.122 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.163 -1.403 1.657 1.00 0.00 C ATOM 0 H ILE A 36 95.564 -3.324 5.627 1.00 0.00 H new ATOM 0 HA ILE A 36 97.594 -1.187 4.925 1.00 0.00 H new ATOM 0 HB ILE A 36 94.704 -1.737 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.037 -0.750 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.700 -2.452 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.528 0.554 3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.752 0.573 5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.120 0.950 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.606 -1.629 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.385 -2.133 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.727 -0.404 1.633 1.00 0.00 H new ATOM 624 N PRO A 37 96.652 0.410 6.742 1.00 0.00 N ATOM 625 CA PRO A 37 96.314 1.167 7.967 1.00 0.00 C ATOM 626 C PRO A 37 94.960 1.882 7.840 1.00 0.00 C ATOM 627 O PRO A 37 94.192 1.918 8.779 1.00 0.00 O ATOM 628 CB PRO A 37 97.446 2.170 8.087 1.00 0.00 C ATOM 629 CG PRO A 37 98.038 2.340 6.663 1.00 0.00 C ATOM 630 CD PRO A 37 97.575 1.122 5.836 1.00 0.00 C ATOM 0 HA PRO A 37 96.216 0.522 8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.081 3.122 8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.206 1.815 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.692 3.269 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.126 2.390 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.076 1.429 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.416 0.492 5.546 1.00 0.00 H new ATOM 638 N TRP A 38 94.640 2.431 6.694 1.00 0.00 N ATOM 639 CA TRP A 38 93.311 3.106 6.550 1.00 0.00 C ATOM 640 C TRP A 38 93.254 4.352 7.435 1.00 0.00 C ATOM 641 O TRP A 38 94.235 4.750 8.030 1.00 0.00 O ATOM 642 CB TRP A 38 92.230 2.119 6.978 1.00 0.00 C ATOM 643 CG TRP A 38 92.518 0.827 6.301 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.351 -0.129 6.760 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.016 0.355 5.029 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.393 -1.162 5.840 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.578 -0.909 4.757 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.130 0.901 4.099 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.273 -1.607 3.593 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.816 0.213 2.928 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.387 -1.043 2.669 1.00 0.00 C ATOM 0 H TRP A 38 95.231 2.442 5.863 1.00 0.00 H new ATOM 0 HA TRP A 38 93.158 3.413 5.515 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.231 1.994 8.061 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.242 2.487 6.700 1.00 0.00 H new ATOM 0 HD1 TRP A 38 93.896 -0.094 7.692 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.956 -2.005 5.949 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.683 1.866 4.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.716 -2.574 3.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.130 0.648 2.216 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.143 -1.572 1.760 1.00 0.00 H new ATOM 662 N MET A 39 92.106 4.965 7.534 1.00 0.00 N ATOM 663 CA MET A 39 91.976 6.179 8.388 1.00 0.00 C ATOM 664 C MET A 39 90.650 6.115 9.146 1.00 0.00 C ATOM 665 O MET A 39 89.826 7.004 9.058 1.00 0.00 O ATOM 666 CB MET A 39 92.018 7.450 7.524 1.00 0.00 C ATOM 667 CG MET A 39 91.364 7.194 6.162 1.00 0.00 C ATOM 668 SD MET A 39 89.969 8.322 5.948 1.00 0.00 S ATOM 669 CE MET A 39 88.721 7.251 6.695 1.00 0.00 C ATOM 0 H MET A 39 91.251 4.676 7.059 1.00 0.00 H new ATOM 0 HA MET A 39 92.806 6.212 9.093 1.00 0.00 H new ATOM 0 HB2 MET A 39 91.501 8.262 8.036 1.00 0.00 H new ATOM 0 HB3 MET A 39 93.051 7.768 7.384 1.00 0.00 H new ATOM 0 HG2 MET A 39 92.091 7.341 5.363 1.00 0.00 H new ATOM 0 HG3 MET A 39 91.024 6.160 6.097 1.00 0.00 H new ATOM 0 HE1 MET A 39 87.883 7.135 6.008 1.00 0.00 H new ATOM 0 HE2 MET A 39 89.158 6.274 6.904 1.00 0.00 H new ATOM 0 HE3 MET A 39 88.368 7.697 7.625 1.00 0.00 H new ATOM 679 N HIS A 40 90.441 5.064 9.894 1.00 0.00 N ATOM 680 CA HIS A 40 89.173 4.925 10.666 1.00 0.00 C ATOM 681 C HIS A 40 88.811 6.269 11.296 1.00 0.00 C ATOM 682 O HIS A 40 87.657 6.640 11.380 1.00 0.00 O ATOM 683 CB HIS A 40 89.365 3.888 11.772 1.00 0.00 C ATOM 684 CG HIS A 40 88.032 3.305 12.150 1.00 0.00 C ATOM 685 ND1 HIS A 40 87.125 3.986 12.948 1.00 0.00 N ATOM 686 CD2 HIS A 40 87.438 2.107 11.848 1.00 0.00 C ATOM 687 CE1 HIS A 40 86.046 3.196 13.098 1.00 0.00 C ATOM 688 NE2 HIS A 40 86.184 2.038 12.448 1.00 0.00 N ATOM 0 H HIS A 40 91.098 4.292 10.003 1.00 0.00 H new ATOM 0 HA HIS A 40 88.373 4.607 9.997 1.00 0.00 H new ATOM 0 HB2 HIS A 40 90.036 3.099 11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 40 89.831 4.351 12.642 1.00 0.00 H new ATOM 0 HD2 HIS A 40 87.877 1.333 11.236 1.00 0.00 H new ATOM 0 HE1 HIS A 40 85.174 3.466 13.675 1.00 0.00 H new ATOM 0 HE2 HIS A 40 85.515 1.269 12.401 1.00 0.00 H new ATOM 696 N ALA A 41 89.794 7.000 11.743 1.00 0.00 N ATOM 697 CA ALA A 41 89.517 8.320 12.372 1.00 0.00 C ATOM 698 C ALA A 41 88.906 9.262 11.331 1.00 0.00 C ATOM 699 O ALA A 41 89.531 9.609 10.349 1.00 0.00 O ATOM 700 CB ALA A 41 90.824 8.909 12.902 1.00 0.00 C ATOM 0 H ALA A 41 90.779 6.739 11.699 1.00 0.00 H new ATOM 0 HA ALA A 41 88.816 8.196 13.197 1.00 0.00 H new ATOM 0 HB1 ALA A 41 90.626 9.876 13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 41 91.253 8.234 13.643 1.00 0.00 H new ATOM 0 HB3 ALA A 41 91.526 9.037 12.078 1.00 0.00 H new ATOM 706 N ALA A 42 87.685 9.670 11.540 1.00 0.00 N ATOM 707 CA ALA A 42 87.017 10.583 10.567 1.00 0.00 C ATOM 708 C ALA A 42 86.952 9.912 9.196 1.00 0.00 C ATOM 709 O ALA A 42 87.958 9.538 8.626 1.00 0.00 O ATOM 710 CB ALA A 42 87.794 11.899 10.458 1.00 0.00 C ATOM 0 H ALA A 42 87.117 9.410 12.347 1.00 0.00 H new ATOM 0 HA ALA A 42 86.007 10.796 10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 42 87.297 12.557 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 42 87.830 12.382 11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 42 88.809 11.695 10.117 1.00 0.00 H new ATOM 716 N ARG A 43 85.771 9.757 8.663 1.00 0.00 N ATOM 717 CA ARG A 43 85.633 9.111 7.330 1.00 0.00 C ATOM 718 C ARG A 43 85.990 10.120 6.233 1.00 0.00 C ATOM 719 O ARG A 43 85.920 9.820 5.058 1.00 0.00 O ATOM 720 CB ARG A 43 84.188 8.641 7.140 1.00 0.00 C ATOM 721 CG ARG A 43 83.791 7.730 8.303 1.00 0.00 C ATOM 722 CD ARG A 43 82.650 6.811 7.867 1.00 0.00 C ATOM 723 NE ARG A 43 81.594 6.796 8.919 1.00 0.00 N ATOM 724 CZ ARG A 43 80.658 5.886 8.898 1.00 0.00 C ATOM 725 NH1 ARG A 43 80.641 4.983 7.954 1.00 0.00 N ATOM 726 NH2 ARG A 43 79.737 5.880 9.821 1.00 0.00 N ATOM 0 H ARG A 43 84.895 10.051 9.095 1.00 0.00 H new ATOM 0 HA ARG A 43 86.306 8.256 7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 43 83.518 9.500 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 43 84.089 8.106 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 43 84.648 7.137 8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.482 8.330 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.232 7.156 6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 43 83.026 5.802 7.699 1.00 0.00 H new ATOM 0 HE ARG A 43 81.603 7.499 9.658 1.00 0.00 H new ATOM 0 HH11 ARG A 43 81.360 4.988 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 43 79.908 4.273 7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 43 79.749 6.585 10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 43 79.005 5.170 9.806 1.00 0.00 H new ATOM 740 N HIS A 44 86.373 11.313 6.606 1.00 0.00 N ATOM 741 CA HIS A 44 86.731 12.331 5.580 1.00 0.00 C ATOM 742 C HIS A 44 88.132 12.880 5.851 1.00 0.00 C ATOM 743 O HIS A 44 89.079 12.575 5.155 1.00 0.00 O ATOM 744 CB HIS A 44 85.726 13.478 5.622 1.00 0.00 C ATOM 745 CG HIS A 44 84.825 13.374 4.428 1.00 0.00 C ATOM 746 ND1 HIS A 44 84.686 14.407 3.518 1.00 0.00 N ATOM 747 CD2 HIS A 44 84.027 12.358 3.971 1.00 0.00 C ATOM 748 CE1 HIS A 44 83.833 13.991 2.566 1.00 0.00 C ATOM 749 NE2 HIS A 44 83.400 12.748 2.794 1.00 0.00 N ATOM 0 H HIS A 44 86.453 11.624 7.574 1.00 0.00 H new ATOM 0 HA HIS A 44 86.712 11.861 4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 44 85.141 13.434 6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 44 86.246 14.436 5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 44 83.904 11.399 4.453 1.00 0.00 H new ATOM 0 HE1 HIS A 44 83.534 14.590 1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 44 82.750 12.203 2.227 1.00 0.00 H new ATOM 757 N GLY A 45 88.263 13.692 6.860 1.00 0.00 N ATOM 758 CA GLY A 45 89.593 14.276 7.195 1.00 0.00 C ATOM 759 C GLY A 45 89.666 14.512 8.703 1.00 0.00 C ATOM 760 O GLY A 45 89.325 13.652 9.482 1.00 0.00 O ATOM 0 H GLY A 45 87.500 13.980 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 45 90.390 13.603 6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 45 89.738 15.214 6.659 1.00 0.00 H new ATOM 764 N TRP A 46 90.096 15.675 9.121 1.00 0.00 N ATOM 765 CA TRP A 46 90.174 15.967 10.590 1.00 0.00 C ATOM 766 C TRP A 46 90.664 14.736 11.342 1.00 0.00 C ATOM 767 O TRP A 46 90.334 14.530 12.493 1.00 0.00 O ATOM 768 CB TRP A 46 88.788 16.352 11.124 1.00 0.00 C ATOM 769 CG TRP A 46 87.726 15.847 10.198 1.00 0.00 C ATOM 770 CD1 TRP A 46 86.997 14.724 10.374 1.00 0.00 C ATOM 771 CD2 TRP A 46 87.274 16.433 8.953 1.00 0.00 C ATOM 772 NE1 TRP A 46 86.136 14.578 9.298 1.00 0.00 N ATOM 773 CE2 TRP A 46 86.261 15.620 8.402 1.00 0.00 C ATOM 774 CE3 TRP A 46 87.651 17.584 8.262 1.00 0.00 C ATOM 775 CZ2 TRP A 46 85.639 15.948 7.198 1.00 0.00 C ATOM 776 CZ3 TRP A 46 87.032 17.925 7.050 1.00 0.00 C ATOM 777 CH2 TRP A 46 86.024 17.109 6.519 1.00 0.00 C ATOM 0 H TRP A 46 90.397 16.436 8.512 1.00 0.00 H new ATOM 0 HA TRP A 46 90.870 16.792 10.741 1.00 0.00 H new ATOM 0 HB2 TRP A 46 88.643 15.933 12.120 1.00 0.00 H new ATOM 0 HB3 TRP A 46 88.714 17.435 11.220 1.00 0.00 H new ATOM 0 HD1 TRP A 46 87.073 14.051 11.215 1.00 0.00 H new ATOM 0 HE1 TRP A 46 85.490 13.797 9.183 1.00 0.00 H new ATOM 0 HE3 TRP A 46 88.427 18.219 8.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 84.866 15.311 6.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 87.333 18.819 6.525 1.00 0.00 H new ATOM 0 HH2 TRP A 46 85.546 17.376 5.588 1.00 0.00 H new ATOM 788 N ASP A 47 91.442 13.923 10.694 1.00 0.00 N ATOM 789 CA ASP A 47 91.960 12.684 11.342 1.00 0.00 C ATOM 790 C ASP A 47 92.347 11.688 10.252 1.00 0.00 C ATOM 791 O ASP A 47 92.019 10.521 10.320 1.00 0.00 O ATOM 792 CB ASP A 47 90.865 12.062 12.212 1.00 0.00 C ATOM 793 CG ASP A 47 91.246 12.196 13.688 1.00 0.00 C ATOM 794 OD1 ASP A 47 92.431 12.181 13.976 1.00 0.00 O ATOM 795 OD2 ASP A 47 90.346 12.311 14.504 1.00 0.00 O ATOM 0 H ASP A 47 91.747 14.062 9.731 1.00 0.00 H new ATOM 0 HA ASP A 47 92.823 12.927 11.961 1.00 0.00 H new ATOM 0 HB2 ASP A 47 89.912 12.558 12.025 1.00 0.00 H new ATOM 0 HB3 ASP A 47 90.734 11.011 11.954 1.00 0.00 H new ATOM 800 N VAL A 48 93.026 12.141 9.237 1.00 0.00 N ATOM 801 CA VAL A 48 93.409 11.219 8.135 1.00 0.00 C ATOM 802 C VAL A 48 94.904 11.354 7.833 1.00 0.00 C ATOM 803 O VAL A 48 95.296 11.885 6.814 1.00 0.00 O ATOM 804 CB VAL A 48 92.589 11.574 6.895 1.00 0.00 C ATOM 805 CG1 VAL A 48 92.954 10.636 5.746 1.00 0.00 C ATOM 806 CG2 VAL A 48 91.101 11.424 7.222 1.00 0.00 C ATOM 0 H VAL A 48 93.332 13.107 9.123 1.00 0.00 H new ATOM 0 HA VAL A 48 93.209 10.188 8.428 1.00 0.00 H new ATOM 0 HB VAL A 48 92.803 12.601 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.366 10.894 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 48 94.015 10.737 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.742 9.607 6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 48 90.508 11.675 6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 48 90.895 10.395 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 48 90.839 12.095 8.040 1.00 0.00 H new ATOM 816 N GLU A 49 95.738 10.867 8.710 1.00 0.00 N ATOM 817 CA GLU A 49 97.207 10.955 8.478 1.00 0.00 C ATOM 818 C GLU A 49 97.706 9.620 7.928 1.00 0.00 C ATOM 819 O GLU A 49 98.441 9.565 6.962 1.00 0.00 O ATOM 820 CB GLU A 49 97.915 11.261 9.799 1.00 0.00 C ATOM 821 CG GLU A 49 99.430 11.245 9.586 1.00 0.00 C ATOM 822 CD GLU A 49 100.115 11.981 10.740 1.00 0.00 C ATOM 823 OE1 GLU A 49 99.407 12.506 11.583 1.00 0.00 O ATOM 824 OE2 GLU A 49 101.334 12.007 10.762 1.00 0.00 O ATOM 0 H GLU A 49 95.464 10.410 9.580 1.00 0.00 H new ATOM 0 HA GLU A 49 97.420 11.750 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 49 97.601 12.235 10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 49 97.636 10.524 10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 49 99.790 10.217 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 49 99.680 11.721 8.638 1.00 0.00 H new ATOM 831 N LYS A 50 97.303 8.541 8.538 1.00 0.00 N ATOM 832 CA LYS A 50 97.742 7.201 8.057 1.00 0.00 C ATOM 833 C LYS A 50 97.375 7.053 6.583 1.00 0.00 C ATOM 834 O LYS A 50 98.192 6.690 5.759 1.00 0.00 O ATOM 835 CB LYS A 50 97.040 6.111 8.871 1.00 0.00 C ATOM 836 CG LYS A 50 97.414 6.258 10.348 1.00 0.00 C ATOM 837 CD LYS A 50 96.349 5.582 11.215 1.00 0.00 C ATOM 838 CE LYS A 50 96.779 5.623 12.682 1.00 0.00 C ATOM 839 NZ LYS A 50 95.787 4.883 13.512 1.00 0.00 N ATOM 0 H LYS A 50 96.687 8.529 9.351 1.00 0.00 H new ATOM 0 HA LYS A 50 98.821 7.103 8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 50 95.960 6.189 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 50 97.331 5.126 8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.389 5.807 10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.495 7.313 10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 50 95.391 6.088 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.208 4.549 10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 50 97.768 5.178 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 50 96.854 6.656 13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.079 4.911 14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 94.852 5.327 13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 95.737 3.894 13.194 1.00 0.00 H new ATOM 853 N ASP A 51 96.153 7.342 6.245 1.00 0.00 N ATOM 854 CA ASP A 51 95.724 7.234 4.825 1.00 0.00 C ATOM 855 C ASP A 51 95.895 8.594 4.153 1.00 0.00 C ATOM 856 O ASP A 51 95.022 9.067 3.456 1.00 0.00 O ATOM 857 CB ASP A 51 94.254 6.819 4.763 1.00 0.00 C ATOM 858 CG ASP A 51 94.087 5.648 3.793 1.00 0.00 C ATOM 859 OD1 ASP A 51 95.087 5.041 3.448 1.00 0.00 O ATOM 860 OD2 ASP A 51 92.960 5.379 3.410 1.00 0.00 O ATOM 0 H ASP A 51 95.429 7.650 6.894 1.00 0.00 H new ATOM 0 HA ASP A 51 96.330 6.487 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 51 93.905 6.534 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 51 93.642 7.661 4.440 1.00 0.00 H new ATOM 865 N ALA A 52 97.004 9.239 4.380 1.00 0.00 N ATOM 866 CA ALA A 52 97.229 10.579 3.768 1.00 0.00 C ATOM 867 C ALA A 52 97.936 10.474 2.398 1.00 0.00 C ATOM 868 O ALA A 52 97.579 11.185 1.480 1.00 0.00 O ATOM 869 CB ALA A 52 98.079 11.433 4.712 1.00 0.00 C ATOM 0 H ALA A 52 97.767 8.896 4.964 1.00 0.00 H new ATOM 0 HA ALA A 52 96.255 11.042 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 52 98.245 12.414 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 52 97.560 11.550 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 52 99.039 10.944 4.880 1.00 0.00 H new ATOM 875 N PRO A 53 98.940 9.627 2.298 1.00 0.00 N ATOM 876 CA PRO A 53 99.720 9.473 1.051 1.00 0.00 C ATOM 877 C PRO A 53 98.988 8.639 -0.012 1.00 0.00 C ATOM 878 O PRO A 53 98.294 9.171 -0.852 1.00 0.00 O ATOM 879 CB PRO A 53 100.999 8.768 1.511 1.00 0.00 C ATOM 880 CG PRO A 53 100.656 8.062 2.843 1.00 0.00 C ATOM 881 CD PRO A 53 99.393 8.749 3.398 1.00 0.00 C ATOM 0 HA PRO A 53 99.900 10.434 0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 53 101.335 8.047 0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 53 101.809 9.484 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 53 100.479 6.999 2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.483 8.145 3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 53 98.628 8.019 3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 53 99.615 9.322 4.298 1.00 0.00 H new ATOM 889 N LEU A 54 99.178 7.345 -0.023 1.00 0.00 N ATOM 890 CA LEU A 54 98.523 6.512 -1.078 1.00 0.00 C ATOM 891 C LEU A 54 97.055 6.915 -1.274 1.00 0.00 C ATOM 892 O LEU A 54 96.487 6.735 -2.333 1.00 0.00 O ATOM 893 CB LEU A 54 98.624 5.013 -0.759 1.00 0.00 C ATOM 894 CG LEU A 54 97.878 4.627 0.522 1.00 0.00 C ATOM 895 CD1 LEU A 54 98.330 5.495 1.692 1.00 0.00 C ATOM 896 CD2 LEU A 54 96.367 4.765 0.325 1.00 0.00 C ATOM 0 H LEU A 54 99.753 6.832 0.646 1.00 0.00 H new ATOM 0 HA LEU A 54 99.059 6.697 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 54 98.222 4.440 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 54 99.674 4.737 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 54 98.111 3.587 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 54 97.788 5.204 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 54 99.399 5.360 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 54 98.126 6.542 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.853 4.487 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 54 96.126 5.798 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 54 96.044 4.109 -0.484 1.00 0.00 H new ATOM 908 N PHE A 55 96.431 7.464 -0.274 1.00 0.00 N ATOM 909 CA PHE A 55 95.011 7.885 -0.432 1.00 0.00 C ATOM 910 C PHE A 55 94.999 9.059 -1.407 1.00 0.00 C ATOM 911 O PHE A 55 94.256 9.079 -2.367 1.00 0.00 O ATOM 912 CB PHE A 55 94.480 8.291 0.946 1.00 0.00 C ATOM 913 CG PHE A 55 93.391 9.332 0.836 1.00 0.00 C ATOM 914 CD1 PHE A 55 92.224 9.062 0.112 1.00 0.00 C ATOM 915 CD2 PHE A 55 93.550 10.568 1.474 1.00 0.00 C ATOM 916 CE1 PHE A 55 91.218 10.032 0.025 1.00 0.00 C ATOM 917 CE2 PHE A 55 92.546 11.536 1.386 1.00 0.00 C ATOM 918 CZ PHE A 55 91.379 11.269 0.661 1.00 0.00 C ATOM 0 H PHE A 55 96.839 7.640 0.644 1.00 0.00 H new ATOM 0 HA PHE A 55 94.377 7.088 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.093 7.412 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 55 95.298 8.681 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 55 92.100 8.108 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.450 10.774 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 55 90.317 9.826 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 55 92.671 12.490 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.603 12.017 0.592 1.00 0.00 H new ATOM 928 N ARG A 56 95.857 10.014 -1.184 1.00 0.00 N ATOM 929 CA ARG A 56 95.951 11.167 -2.116 1.00 0.00 C ATOM 930 C ARG A 56 96.549 10.662 -3.438 1.00 0.00 C ATOM 931 O ARG A 56 96.497 11.328 -4.453 1.00 0.00 O ATOM 932 CB ARG A 56 96.864 12.235 -1.505 1.00 0.00 C ATOM 933 CG ARG A 56 97.073 13.372 -2.507 1.00 0.00 C ATOM 934 CD ARG A 56 98.565 13.510 -2.816 1.00 0.00 C ATOM 935 NE ARG A 56 98.916 14.954 -2.943 1.00 0.00 N ATOM 936 CZ ARG A 56 100.164 15.334 -2.873 1.00 0.00 C ATOM 937 NH1 ARG A 56 101.111 14.452 -2.693 1.00 0.00 N ATOM 938 NH2 ARG A 56 100.464 16.599 -2.982 1.00 0.00 N ATOM 0 H ARG A 56 96.499 10.044 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 56 94.967 11.602 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 56 96.422 12.623 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 56 97.824 11.795 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 56 96.518 13.171 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 56 96.687 14.306 -2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.155 13.050 -2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 56 98.806 12.984 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 56 98.180 15.646 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 56 100.877 13.463 -2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.084 14.753 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 56 99.725 17.288 -3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.437 16.899 -2.928 1.00 0.00 H new ATOM 952 N ASN A 57 97.100 9.471 -3.427 1.00 0.00 N ATOM 953 CA ASN A 57 97.686 8.886 -4.663 1.00 0.00 C ATOM 954 C ASN A 57 96.536 8.503 -5.609 1.00 0.00 C ATOM 955 O ASN A 57 96.746 8.111 -6.739 1.00 0.00 O ATOM 956 CB ASN A 57 98.510 7.653 -4.260 1.00 0.00 C ATOM 957 CG ASN A 57 98.341 6.524 -5.272 1.00 0.00 C ATOM 958 OD1 ASN A 57 98.930 6.541 -6.334 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.546 5.543 -4.973 1.00 0.00 N ATOM 0 H ASN A 57 97.167 8.877 -2.601 1.00 0.00 H new ATOM 0 HA ASN A 57 98.337 9.594 -5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.563 7.924 -4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 57 98.199 7.310 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.411 4.777 -5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 57 97.056 5.538 -4.078 1.00 0.00 H new ATOM 966 N TRP A 58 95.323 8.612 -5.138 1.00 0.00 N ATOM 967 CA TRP A 58 94.144 8.262 -5.975 1.00 0.00 C ATOM 968 C TRP A 58 94.046 9.216 -7.169 1.00 0.00 C ATOM 969 O TRP A 58 94.418 8.886 -8.277 1.00 0.00 O ATOM 970 CB TRP A 58 92.882 8.421 -5.128 1.00 0.00 C ATOM 971 CG TRP A 58 92.491 7.118 -4.508 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.268 6.856 -4.003 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.283 5.909 -4.303 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.248 5.568 -3.513 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.465 4.943 -3.671 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.612 5.555 -4.601 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.944 3.676 -3.346 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.095 4.276 -4.271 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.262 3.340 -3.647 1.00 0.00 C ATOM 0 H TRP A 58 95.098 8.933 -4.196 1.00 0.00 H new ATOM 0 HA TRP A 58 94.248 7.238 -6.334 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.053 9.163 -4.348 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.067 8.793 -5.748 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.437 7.546 -3.985 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.431 5.131 -3.086 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.263 6.268 -5.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.297 2.958 -2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.117 4.014 -4.501 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.640 2.359 -3.399 1.00 0.00 H new ATOM 990 N ALA A 59 93.526 10.394 -6.936 1.00 0.00 N ATOM 991 CA ALA A 59 93.362 11.401 -8.027 1.00 0.00 C ATOM 992 C ALA A 59 94.522 11.321 -9.023 1.00 0.00 C ATOM 993 O ALA A 59 94.340 11.505 -10.210 1.00 0.00 O ATOM 994 CB ALA A 59 93.322 12.800 -7.412 1.00 0.00 C ATOM 0 H ALA A 59 93.203 10.705 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 59 92.434 11.193 -8.559 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.202 13.541 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.483 12.869 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.252 12.988 -6.875 1.00 0.00 H new ATOM 1000 N ILE A 60 95.712 11.061 -8.562 1.00 0.00 N ATOM 1001 CA ILE A 60 96.862 10.991 -9.507 1.00 0.00 C ATOM 1002 C ILE A 60 96.874 9.631 -10.211 1.00 0.00 C ATOM 1003 O ILE A 60 96.540 9.521 -11.374 1.00 0.00 O ATOM 1004 CB ILE A 60 98.182 11.185 -8.753 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.949 12.006 -7.479 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.172 11.922 -9.654 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.127 13.255 -7.805 1.00 0.00 C ATOM 0 H ILE A 60 95.938 10.895 -7.581 1.00 0.00 H new ATOM 0 HA ILE A 60 96.754 11.784 -10.247 1.00 0.00 H new ATOM 0 HB ILE A 60 98.582 10.209 -8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.428 11.401 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 60 98.905 12.294 -7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.113 12.063 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.349 11.336 -10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.761 12.894 -9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.966 13.832 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 60 97.664 13.865 -8.531 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.164 12.959 -8.222 1.00 0.00 H new ATOM 1019 N HIS A 61 97.263 8.597 -9.518 1.00 0.00 N ATOM 1020 CA HIS A 61 97.306 7.248 -10.149 1.00 0.00 C ATOM 1021 C HIS A 61 95.976 6.958 -10.845 1.00 0.00 C ATOM 1022 O HIS A 61 95.901 6.881 -12.055 1.00 0.00 O ATOM 1023 CB HIS A 61 97.554 6.192 -9.070 1.00 0.00 C ATOM 1024 CG HIS A 61 97.428 4.820 -9.673 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.454 4.236 -10.400 1.00 0.00 N ATOM 1026 CD2 HIS A 61 96.405 3.904 -9.664 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.030 3.023 -10.793 1.00 0.00 C ATOM 1028 NE2 HIS A 61 96.788 2.768 -10.372 1.00 0.00 N ATOM 0 H HIS A 61 97.553 8.628 -8.541 1.00 0.00 H new ATOM 0 HA HIS A 61 98.110 7.220 -10.884 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.547 6.322 -8.640 1.00 0.00 H new ATOM 0 HB3 HIS A 61 96.837 6.311 -8.258 1.00 0.00 H new ATOM 0 HD2 HIS A 61 95.449 4.044 -9.181 1.00 0.00 H new ATOM 0 HE1 HIS A 61 98.623 2.336 -11.379 1.00 0.00 H new ATOM 0 HE2 HIS A 61 96.239 1.924 -10.534 1.00 0.00 H new ATOM 1036 N THR A 62 94.927 6.789 -10.087 1.00 0.00 N ATOM 1037 CA THR A 62 93.598 6.498 -10.696 1.00 0.00 C ATOM 1038 C THR A 62 93.391 7.380 -11.931 1.00 0.00 C ATOM 1039 O THR A 62 92.879 6.938 -12.940 1.00 0.00 O ATOM 1040 CB THR A 62 92.500 6.788 -9.671 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.481 8.178 -9.380 1.00 0.00 O ATOM 1042 CG2 THR A 62 92.778 6.001 -8.388 1.00 0.00 C ATOM 0 H THR A 62 94.933 6.840 -9.068 1.00 0.00 H new ATOM 0 HA THR A 62 93.556 5.450 -10.993 1.00 0.00 H new ATOM 0 HB THR A 62 91.534 6.488 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.399 8.501 -9.268 1.00 0.00 H new ATOM 0 HG21 THR A 62 91.996 6.208 -7.658 1.00 0.00 H new ATOM 0 HG22 THR A 62 92.793 4.934 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 62 93.743 6.300 -7.980 1.00 0.00 H new ATOM 1050 N GLY A 63 93.784 8.622 -11.860 1.00 0.00 N ATOM 1051 CA GLY A 63 93.609 9.527 -13.032 1.00 0.00 C ATOM 1052 C GLY A 63 92.251 10.222 -12.946 1.00 0.00 C ATOM 1053 O GLY A 63 91.488 10.238 -13.892 1.00 0.00 O ATOM 0 H GLY A 63 94.218 9.049 -11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.407 10.269 -13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.679 8.956 -13.958 1.00 0.00 H new ATOM 1057 N LYS A 64 91.941 10.799 -11.818 1.00 0.00 N ATOM 1058 CA LYS A 64 90.631 11.495 -11.668 1.00 0.00 C ATOM 1059 C LYS A 64 90.871 12.960 -11.300 1.00 0.00 C ATOM 1060 O LYS A 64 90.018 13.616 -10.736 1.00 0.00 O ATOM 1061 CB LYS A 64 89.818 10.818 -10.563 1.00 0.00 C ATOM 1062 CG LYS A 64 89.674 9.327 -10.875 1.00 0.00 C ATOM 1063 CD LYS A 64 88.191 8.960 -10.939 1.00 0.00 C ATOM 1064 CE LYS A 64 88.041 7.438 -10.952 1.00 0.00 C ATOM 1065 NZ LYS A 64 86.610 7.076 -10.746 1.00 0.00 N ATOM 0 H LYS A 64 92.539 10.819 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 64 90.082 11.442 -12.608 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.311 10.953 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.834 11.281 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 64 90.158 9.095 -11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 64 90.173 8.734 -10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 64 87.664 9.380 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.738 9.388 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 64 88.396 7.035 -11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.655 6.995 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 86.493 6.645 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 86.023 7.932 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 86.315 6.398 -11.477 1.00 0.00 H new ATOM 1079 N HIS A 65 92.027 13.480 -11.615 1.00 0.00 N ATOM 1080 CA HIS A 65 92.318 14.903 -11.280 1.00 0.00 C ATOM 1081 C HIS A 65 93.693 15.284 -11.839 1.00 0.00 C ATOM 1082 O HIS A 65 94.541 14.444 -12.067 1.00 0.00 O ATOM 1083 CB HIS A 65 92.300 15.080 -9.753 1.00 0.00 C ATOM 1084 CG HIS A 65 93.119 16.284 -9.358 1.00 0.00 C ATOM 1085 ND1 HIS A 65 92.592 17.567 -9.334 1.00 0.00 N ATOM 1086 CD2 HIS A 65 94.432 16.412 -8.981 1.00 0.00 C ATOM 1087 CE1 HIS A 65 93.578 18.402 -8.956 1.00 0.00 C ATOM 1088 NE2 HIS A 65 94.721 17.750 -8.728 1.00 0.00 N ATOM 0 H HIS A 65 92.781 12.982 -12.089 1.00 0.00 H new ATOM 0 HA HIS A 65 91.561 15.551 -11.723 1.00 0.00 H new ATOM 0 HB2 HIS A 65 91.274 15.199 -9.406 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.698 14.187 -9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 65 95.136 15.597 -8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 65 93.459 19.470 -8.850 1.00 0.00 H new ATOM 0 HE2 HIS A 65 95.613 18.147 -8.432 1.00 0.00 H new ATOM 1096 N GLN A 66 93.919 16.551 -12.049 1.00 0.00 N ATOM 1097 CA GLN A 66 95.235 17.005 -12.580 1.00 0.00 C ATOM 1098 C GLN A 66 95.592 18.348 -11.935 1.00 0.00 C ATOM 1099 O GLN A 66 94.736 19.196 -11.769 1.00 0.00 O ATOM 1100 CB GLN A 66 95.147 17.175 -14.101 1.00 0.00 C ATOM 1101 CG GLN A 66 94.686 15.863 -14.740 1.00 0.00 C ATOM 1102 CD GLN A 66 94.196 16.134 -16.164 1.00 0.00 C ATOM 1103 OE1 GLN A 66 94.988 16.350 -17.060 1.00 0.00 O ATOM 1104 NE2 GLN A 66 92.915 16.135 -16.413 1.00 0.00 N ATOM 0 H GLN A 66 93.245 17.296 -11.875 1.00 0.00 H new ATOM 0 HA GLN A 66 96.001 16.266 -12.347 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.450 17.976 -14.348 1.00 0.00 H new ATOM 0 HB3 GLN A 66 96.119 17.464 -14.501 1.00 0.00 H new ATOM 0 HG2 GLN A 66 95.507 15.146 -14.757 1.00 0.00 H new ATOM 0 HG3 GLN A 66 93.887 15.419 -14.147 1.00 0.00 H new ATOM 0 HE21 GLN A 66 92.249 15.954 -15.662 1.00 0.00 H new ATOM 0 HE22 GLN A 66 92.579 16.317 -17.359 1.00 0.00 H new ATOM 1113 N PRO A 67 96.843 18.505 -11.584 1.00 0.00 N ATOM 1114 CA PRO A 67 97.336 19.738 -10.947 1.00 0.00 C ATOM 1115 C PRO A 67 97.520 20.843 -11.990 1.00 0.00 C ATOM 1116 O PRO A 67 98.049 20.618 -13.061 1.00 0.00 O ATOM 1117 CB PRO A 67 98.682 19.322 -10.350 1.00 0.00 C ATOM 1118 CG PRO A 67 99.144 18.076 -11.142 1.00 0.00 C ATOM 1119 CD PRO A 67 97.882 17.474 -11.790 1.00 0.00 C ATOM 0 HA PRO A 67 96.650 20.137 -10.200 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.410 20.128 -10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.582 19.093 -9.289 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.877 18.349 -11.901 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.623 17.353 -10.482 1.00 0.00 H new ATOM 0 HD2 PRO A 67 98.037 17.270 -12.850 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.605 16.530 -11.321 1.00 0.00 H new ATOM 1127 N GLY A 68 97.088 22.035 -11.685 1.00 0.00 N ATOM 1128 CA GLY A 68 97.240 23.153 -12.658 1.00 0.00 C ATOM 1129 C GLY A 68 96.057 23.155 -13.628 1.00 0.00 C ATOM 1130 O GLY A 68 96.024 23.909 -14.579 1.00 0.00 O ATOM 0 H GLY A 68 96.637 22.283 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 68 97.291 24.105 -12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.174 23.044 -13.209 1.00 0.00 H new ATOM 1134 N ILE A 69 95.082 22.318 -13.394 1.00 0.00 N ATOM 1135 CA ILE A 69 93.903 22.277 -14.304 1.00 0.00 C ATOM 1136 C ILE A 69 92.618 22.272 -13.474 1.00 0.00 C ATOM 1137 O ILE A 69 91.630 22.878 -13.838 1.00 0.00 O ATOM 1138 CB ILE A 69 93.964 21.010 -15.164 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.034 21.184 -16.245 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.607 20.769 -15.829 1.00 0.00 C ATOM 1141 CD1 ILE A 69 96.017 20.014 -16.188 1.00 0.00 C ATOM 0 H ILE A 69 95.052 21.662 -12.613 1.00 0.00 H new ATOM 0 HA ILE A 69 93.913 23.154 -14.951 1.00 0.00 H new ATOM 0 HB ILE A 69 94.212 20.157 -14.533 1.00 0.00 H new ATOM 0 HG12 ILE A 69 94.567 21.232 -17.229 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.564 22.125 -16.098 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.656 19.867 -16.439 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.842 20.647 -15.062 1.00 0.00 H new ATOM 0 HG23 ILE A 69 92.355 21.621 -16.460 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.778 20.140 -16.958 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.494 19.987 -15.208 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.481 19.080 -16.357 1.00 0.00 H new ATOM 1153 N ASP A 70 92.622 21.594 -12.360 1.00 0.00 N ATOM 1154 CA ASP A 70 91.400 21.553 -11.511 1.00 0.00 C ATOM 1155 C ASP A 70 91.805 21.511 -10.038 1.00 0.00 C ATOM 1156 O ASP A 70 92.959 21.328 -9.705 1.00 0.00 O ATOM 1157 CB ASP A 70 90.585 20.302 -11.851 1.00 0.00 C ATOM 1158 CG ASP A 70 89.548 20.644 -12.921 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.469 21.081 -12.554 1.00 0.00 O ATOM 1160 OD2 ASP A 70 89.850 20.463 -14.089 1.00 0.00 O ATOM 0 H ASP A 70 93.418 21.067 -12.001 1.00 0.00 H new ATOM 0 HA ASP A 70 90.797 22.442 -11.698 1.00 0.00 H new ATOM 0 HB2 ASP A 70 91.245 19.511 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 70 90.089 19.924 -10.957 1.00 0.00 H new ATOM 1165 N LYS A 71 90.865 21.679 -9.151 1.00 0.00 N ATOM 1166 CA LYS A 71 91.196 21.649 -7.701 1.00 0.00 C ATOM 1167 C LYS A 71 91.190 20.201 -7.205 1.00 0.00 C ATOM 1168 O LYS A 71 90.539 19.352 -7.782 1.00 0.00 O ATOM 1169 CB LYS A 71 90.155 22.457 -6.926 1.00 0.00 C ATOM 1170 CG LYS A 71 89.863 23.759 -7.673 1.00 0.00 C ATOM 1171 CD LYS A 71 89.089 24.708 -6.757 1.00 0.00 C ATOM 1172 CE LYS A 71 87.722 25.009 -7.373 1.00 0.00 C ATOM 1173 NZ LYS A 71 87.875 25.242 -8.836 1.00 0.00 N ATOM 0 H LYS A 71 89.881 21.836 -9.368 1.00 0.00 H new ATOM 0 HA LYS A 71 92.184 22.082 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 71 89.239 21.877 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 71 90.521 22.675 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 71 90.795 24.224 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 71 89.284 23.553 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 71 88.965 24.259 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 71 89.649 25.633 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 71 87.041 24.177 -7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 71 87.283 25.887 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.153 25.918 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 88.821 25.628 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 87.758 24.343 -9.345 1.00 0.00 H new ATOM 1187 N PRO A 72 91.920 19.965 -6.146 1.00 0.00 N ATOM 1188 CA PRO A 72 92.029 18.628 -5.537 1.00 0.00 C ATOM 1189 C PRO A 72 90.787 18.321 -4.694 1.00 0.00 C ATOM 1190 O PRO A 72 90.447 19.048 -3.782 1.00 0.00 O ATOM 1191 CB PRO A 72 93.275 18.737 -4.654 1.00 0.00 C ATOM 1192 CG PRO A 72 93.473 20.244 -4.363 1.00 0.00 C ATOM 1193 CD PRO A 72 92.705 21.009 -5.457 1.00 0.00 C ATOM 0 HA PRO A 72 92.102 17.826 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 72 93.145 18.176 -3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 72 94.147 18.321 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 72 93.095 20.500 -3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 72 94.531 20.506 -4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 72 92.059 21.775 -5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 72 93.386 21.513 -6.143 1.00 0.00 H new ATOM 1201 N ASP A 73 90.109 17.246 -4.995 1.00 0.00 N ATOM 1202 CA ASP A 73 88.892 16.885 -4.215 1.00 0.00 C ATOM 1203 C ASP A 73 89.122 15.538 -3.520 1.00 0.00 C ATOM 1204 O ASP A 73 88.975 14.499 -4.130 1.00 0.00 O ATOM 1205 CB ASP A 73 87.696 16.768 -5.162 1.00 0.00 C ATOM 1206 CG ASP A 73 87.454 18.112 -5.850 1.00 0.00 C ATOM 1207 OD1 ASP A 73 88.275 18.999 -5.681 1.00 0.00 O ATOM 1208 OD2 ASP A 73 86.451 18.234 -6.533 1.00 0.00 O ATOM 0 H ASP A 73 90.347 16.602 -5.749 1.00 0.00 H new ATOM 0 HA ASP A 73 88.692 17.655 -3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.883 15.995 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.808 16.467 -4.607 1.00 0.00 H new ATOM 1213 N PRO A 74 89.481 15.599 -2.261 1.00 0.00 N ATOM 1214 CA PRO A 74 89.745 14.394 -1.454 1.00 0.00 C ATOM 1215 C PRO A 74 88.432 13.730 -1.032 1.00 0.00 C ATOM 1216 O PRO A 74 88.426 12.748 -0.315 1.00 0.00 O ATOM 1217 CB PRO A 74 90.502 14.935 -0.238 1.00 0.00 C ATOM 1218 CG PRO A 74 90.139 16.436 -0.131 1.00 0.00 C ATOM 1219 CD PRO A 74 89.653 16.869 -1.526 1.00 0.00 C ATOM 0 HA PRO A 74 90.306 13.632 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.215 14.400 0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.577 14.803 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 74 89.362 16.595 0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 74 91.004 17.023 0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 74 88.717 17.425 -1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.378 17.518 -2.017 1.00 0.00 H new ATOM 1227 N LYS A 75 87.320 14.251 -1.475 1.00 0.00 N ATOM 1228 CA LYS A 75 86.013 13.641 -1.102 1.00 0.00 C ATOM 1229 C LYS A 75 85.814 12.352 -1.900 1.00 0.00 C ATOM 1230 O LYS A 75 85.722 11.275 -1.346 1.00 0.00 O ATOM 1231 CB LYS A 75 84.883 14.621 -1.418 1.00 0.00 C ATOM 1232 CG LYS A 75 85.161 15.959 -0.733 1.00 0.00 C ATOM 1233 CD LYS A 75 84.045 16.949 -1.070 1.00 0.00 C ATOM 1234 CE LYS A 75 82.685 16.301 -0.800 1.00 0.00 C ATOM 1235 NZ LYS A 75 81.601 17.283 -1.088 1.00 0.00 N ATOM 0 H LYS A 75 87.261 15.071 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 75 86.004 13.415 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.801 14.762 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 75 83.930 14.216 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 85.224 15.820 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 75 86.123 16.354 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 75 84.154 17.853 -0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 75 84.115 17.249 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 75 82.562 15.415 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 75 82.626 15.972 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 80.677 16.843 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 81.716 18.116 -0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 81.654 17.576 -2.085 1.00 0.00 H new ATOM 1249 N THR A 76 85.751 12.454 -3.199 1.00 0.00 N ATOM 1250 CA THR A 76 85.562 11.235 -4.033 1.00 0.00 C ATOM 1251 C THR A 76 86.823 10.373 -3.961 1.00 0.00 C ATOM 1252 O THR A 76 86.830 9.228 -4.367 1.00 0.00 O ATOM 1253 CB THR A 76 85.307 11.646 -5.485 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.947 13.020 -5.530 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.176 10.799 -6.069 1.00 0.00 C ATOM 0 H THR A 76 85.822 13.329 -3.718 1.00 0.00 H new ATOM 0 HA THR A 76 84.709 10.666 -3.662 1.00 0.00 H new ATOM 0 HB THR A 76 86.212 11.488 -6.071 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.751 13.565 -5.662 1.00 0.00 H new ATOM 0 HG21 THR A 76 83.997 11.094 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.455 9.746 -6.035 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.268 10.952 -5.486 1.00 0.00 H new ATOM 1263 N TRP A 77 87.893 10.916 -3.447 1.00 0.00 N ATOM 1264 CA TRP A 77 89.155 10.131 -3.347 1.00 0.00 C ATOM 1265 C TRP A 77 89.000 9.047 -2.280 1.00 0.00 C ATOM 1266 O TRP A 77 89.859 8.207 -2.104 1.00 0.00 O ATOM 1267 CB TRP A 77 90.305 11.062 -2.960 1.00 0.00 C ATOM 1268 CG TRP A 77 90.540 12.055 -4.054 1.00 0.00 C ATOM 1269 CD1 TRP A 77 89.875 12.086 -5.232 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.492 13.157 -4.092 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.359 13.139 -5.989 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.357 13.827 -5.330 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.452 13.635 -3.181 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.144 14.933 -5.654 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.246 14.747 -3.503 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.092 15.394 -4.738 1.00 0.00 C ATOM 0 H TRP A 77 87.947 11.871 -3.092 1.00 0.00 H new ATOM 0 HA TRP A 77 89.369 9.666 -4.309 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.069 11.580 -2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.211 10.482 -2.781 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.095 11.402 -5.532 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.019 13.377 -6.921 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.579 13.143 -2.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.021 15.429 -6.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.979 15.106 -2.796 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.706 16.248 -4.980 1.00 0.00 H new ATOM 1287 N LYS A 78 87.913 9.059 -1.558 1.00 0.00 N ATOM 1288 CA LYS A 78 87.714 8.028 -0.500 1.00 0.00 C ATOM 1289 C LYS A 78 86.747 6.958 -1.008 1.00 0.00 C ATOM 1290 O LYS A 78 87.000 5.775 -0.893 1.00 0.00 O ATOM 1291 CB LYS A 78 87.134 8.683 0.754 1.00 0.00 C ATOM 1292 CG LYS A 78 87.535 7.869 1.986 1.00 0.00 C ATOM 1293 CD LYS A 78 86.283 7.509 2.788 1.00 0.00 C ATOM 1294 CE LYS A 78 86.169 5.986 2.900 1.00 0.00 C ATOM 1295 NZ LYS A 78 87.423 5.438 3.489 1.00 0.00 N ATOM 0 H LYS A 78 87.156 9.736 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 78 88.673 7.569 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 78 87.500 9.706 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 78 86.048 8.739 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 78 88.058 6.963 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 78 88.225 8.442 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 78 86.334 7.955 3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 78 85.397 7.916 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 78 85.315 5.719 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 78 85.995 5.550 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 87.187 4.700 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 88.011 5.029 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 87.947 6.202 3.961 1.00 0.00 H new ATOM 1309 N ALA A 79 85.642 7.363 -1.566 1.00 0.00 N ATOM 1310 CA ALA A 79 84.659 6.368 -2.078 1.00 0.00 C ATOM 1311 C ALA A 79 85.354 5.428 -3.063 1.00 0.00 C ATOM 1312 O ALA A 79 85.075 4.246 -3.110 1.00 0.00 O ATOM 1313 CB ALA A 79 83.520 7.096 -2.789 1.00 0.00 C ATOM 0 H ALA A 79 85.376 8.340 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 79 84.258 5.792 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 79 82.801 6.368 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.025 7.768 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 79 83.921 7.672 -3.623 1.00 0.00 H new ATOM 1319 N ASN A 80 86.255 5.943 -3.851 1.00 0.00 N ATOM 1320 CA ASN A 80 86.968 5.079 -4.833 1.00 0.00 C ATOM 1321 C ASN A 80 87.814 4.050 -4.082 1.00 0.00 C ATOM 1322 O ASN A 80 88.002 2.937 -4.535 1.00 0.00 O ATOM 1323 CB ASN A 80 87.877 5.945 -5.709 1.00 0.00 C ATOM 1324 CG ASN A 80 87.065 6.538 -6.862 1.00 0.00 C ATOM 1325 OD1 ASN A 80 86.467 5.814 -7.633 1.00 0.00 O ATOM 1326 ND2 ASN A 80 87.023 7.833 -7.016 1.00 0.00 N ATOM 0 H ASN A 80 86.529 6.925 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 80 86.241 4.565 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 80 88.319 6.744 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.700 5.346 -6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.488 8.238 -7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 80 87.525 8.440 -6.368 1.00 0.00 H new ATOM 1333 N PHE A 81 88.329 4.412 -2.938 1.00 0.00 N ATOM 1334 CA PHE A 81 89.168 3.457 -2.162 1.00 0.00 C ATOM 1335 C PHE A 81 88.314 2.283 -1.687 1.00 0.00 C ATOM 1336 O PHE A 81 88.521 1.155 -2.087 1.00 0.00 O ATOM 1337 CB PHE A 81 89.767 4.169 -0.948 1.00 0.00 C ATOM 1338 CG PHE A 81 91.221 3.791 -0.817 1.00 0.00 C ATOM 1339 CD1 PHE A 81 91.588 2.444 -0.710 1.00 0.00 C ATOM 1340 CD2 PHE A 81 92.205 4.787 -0.809 1.00 0.00 C ATOM 1341 CE1 PHE A 81 92.939 2.093 -0.596 1.00 0.00 C ATOM 1342 CE2 PHE A 81 93.553 4.437 -0.693 1.00 0.00 C ATOM 1343 CZ PHE A 81 93.921 3.091 -0.587 1.00 0.00 C ATOM 0 H PHE A 81 88.204 5.328 -2.508 1.00 0.00 H new ATOM 0 HA PHE A 81 89.969 3.086 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 81 89.669 5.249 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 81 89.224 3.891 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 81 90.829 1.676 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 81 91.922 5.826 -0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.223 1.054 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 81 94.311 5.206 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.963 2.822 -0.498 1.00 0.00 H new ATOM 1353 N ARG A 82 87.360 2.535 -0.832 1.00 0.00 N ATOM 1354 CA ARG A 82 86.500 1.428 -0.329 1.00 0.00 C ATOM 1355 C ARG A 82 86.116 0.514 -1.497 1.00 0.00 C ATOM 1356 O ARG A 82 86.024 -0.687 -1.351 1.00 0.00 O ATOM 1357 CB ARG A 82 85.232 2.010 0.302 1.00 0.00 C ATOM 1358 CG ARG A 82 85.009 1.386 1.682 1.00 0.00 C ATOM 1359 CD ARG A 82 86.150 1.790 2.616 1.00 0.00 C ATOM 1360 NE ARG A 82 85.690 1.707 4.032 1.00 0.00 N ATOM 1361 CZ ARG A 82 84.902 2.627 4.522 1.00 0.00 C ATOM 1362 NH1 ARG A 82 84.513 3.623 3.773 1.00 0.00 N ATOM 1363 NH2 ARG A 82 84.504 2.552 5.763 1.00 0.00 N ATOM 0 H ARG A 82 87.140 3.459 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 82 87.046 0.854 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.323 3.092 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 82 84.373 1.815 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 82 84.055 1.717 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.961 0.300 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 82 87.008 1.135 2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 82 86.478 2.804 2.388 1.00 0.00 H new ATOM 0 HE ARG A 82 85.991 0.930 4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 82 84.824 3.684 2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 82 83.898 4.340 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 82 84.808 1.775 6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 82 83.889 3.270 6.146 1.00 0.00 H new ATOM 1377 N CYS A 83 85.900 1.074 -2.656 1.00 0.00 N ATOM 1378 CA CYS A 83 85.534 0.230 -3.828 1.00 0.00 C ATOM 1379 C CYS A 83 86.588 -0.861 -4.003 1.00 0.00 C ATOM 1380 O CYS A 83 86.280 -2.034 -4.064 1.00 0.00 O ATOM 1381 CB CYS A 83 85.486 1.091 -5.092 1.00 0.00 C ATOM 1382 SG CYS A 83 84.124 2.277 -4.967 1.00 0.00 S ATOM 0 H CYS A 83 85.961 2.075 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 83 84.555 -0.219 -3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.431 1.619 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.352 0.459 -5.970 1.00 0.00 H new ATOM 0 HG CYS A 83 84.473 3.258 -4.188 1.00 0.00 H new ATOM 1388 N ALA A 84 87.834 -0.481 -4.080 1.00 0.00 N ATOM 1389 CA ALA A 84 88.912 -1.493 -4.247 1.00 0.00 C ATOM 1390 C ALA A 84 88.764 -2.569 -3.171 1.00 0.00 C ATOM 1391 O ALA A 84 89.063 -3.725 -3.390 1.00 0.00 O ATOM 1392 CB ALA A 84 90.275 -0.813 -4.112 1.00 0.00 C ATOM 0 H ALA A 84 88.151 0.487 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 84 88.836 -1.952 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.065 -1.554 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.376 -0.045 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.357 -0.355 -3.126 1.00 0.00 H new ATOM 1398 N MET A 85 88.295 -2.203 -2.008 1.00 0.00 N ATOM 1399 CA MET A 85 88.123 -3.214 -0.928 1.00 0.00 C ATOM 1400 C MET A 85 87.026 -4.190 -1.342 1.00 0.00 C ATOM 1401 O MET A 85 87.141 -5.387 -1.164 1.00 0.00 O ATOM 1402 CB MET A 85 87.731 -2.516 0.374 1.00 0.00 C ATOM 1403 CG MET A 85 88.965 -1.849 0.977 1.00 0.00 C ATOM 1404 SD MET A 85 89.314 -0.314 0.084 1.00 0.00 S ATOM 1405 CE MET A 85 90.985 -0.742 -0.459 1.00 0.00 C ATOM 0 H MET A 85 88.025 -1.251 -1.761 1.00 0.00 H new ATOM 0 HA MET A 85 89.057 -3.753 -0.771 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.957 -1.772 0.183 1.00 0.00 H new ATOM 0 HB3 MET A 85 87.313 -3.238 1.076 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.799 -1.639 2.033 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.821 -2.521 0.917 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.211 -0.219 -1.388 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.703 -0.448 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.050 -1.818 -0.623 1.00 0.00 H new ATOM 1415 N ASN A 86 85.966 -3.688 -1.912 1.00 0.00 N ATOM 1416 CA ASN A 86 84.868 -4.584 -2.360 1.00 0.00 C ATOM 1417 C ASN A 86 85.208 -5.127 -3.748 1.00 0.00 C ATOM 1418 O ASN A 86 84.388 -5.735 -4.407 1.00 0.00 O ATOM 1419 CB ASN A 86 83.557 -3.797 -2.425 1.00 0.00 C ATOM 1420 CG ASN A 86 83.019 -3.582 -1.009 1.00 0.00 C ATOM 1421 OD1 ASN A 86 82.706 -4.530 -0.314 1.00 0.00 O ATOM 1422 ND2 ASN A 86 82.897 -2.367 -0.549 1.00 0.00 N ATOM 0 H ASN A 86 85.814 -2.695 -2.086 1.00 0.00 H new ATOM 0 HA ASN A 86 84.755 -5.409 -1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.721 -2.836 -2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 86 82.825 -4.338 -3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.539 -2.212 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 86 83.160 -1.572 -1.132 1.00 0.00 H new ATOM 1429 N SER A 87 86.418 -4.916 -4.198 1.00 0.00 N ATOM 1430 CA SER A 87 86.815 -5.421 -5.536 1.00 0.00 C ATOM 1431 C SER A 87 87.642 -6.683 -5.355 1.00 0.00 C ATOM 1432 O SER A 87 87.704 -7.222 -4.273 1.00 0.00 O ATOM 1433 CB SER A 87 87.637 -4.356 -6.264 1.00 0.00 C ATOM 1434 OG SER A 87 87.654 -4.643 -7.656 1.00 0.00 O ATOM 0 H SER A 87 87.147 -4.414 -3.691 1.00 0.00 H new ATOM 0 HA SER A 87 85.928 -5.645 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.209 -3.369 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.654 -4.336 -5.873 1.00 0.00 H new ATOM 0 HG SER A 87 88.179 -3.961 -8.124 1.00 0.00 H new ATOM 1440 N LEU A 88 88.275 -7.142 -6.406 1.00 0.00 N ATOM 1441 CA LEU A 88 89.114 -8.382 -6.330 1.00 0.00 C ATOM 1442 C LEU A 88 88.535 -9.356 -5.289 1.00 0.00 C ATOM 1443 O LEU A 88 88.714 -9.177 -4.105 1.00 0.00 O ATOM 1444 CB LEU A 88 90.555 -8.018 -5.927 1.00 0.00 C ATOM 1445 CG LEU A 88 90.779 -6.500 -5.991 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.532 -5.890 -4.610 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.221 -6.218 -6.420 1.00 0.00 C ATOM 0 H LEU A 88 88.247 -6.705 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 88 89.114 -8.858 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.755 -8.376 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.259 -8.521 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 88 90.090 -6.060 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.691 -4.813 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.507 -6.093 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.222 -6.329 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.383 -5.141 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.908 -6.657 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.400 -6.654 -7.403 1.00 0.00 H new ATOM 1459 N PRO A 89 87.860 -10.375 -5.758 1.00 0.00 N ATOM 1460 CA PRO A 89 87.238 -11.384 -4.875 1.00 0.00 C ATOM 1461 C PRO A 89 88.284 -12.286 -4.203 1.00 0.00 C ATOM 1462 O PRO A 89 87.958 -13.333 -3.677 1.00 0.00 O ATOM 1463 CB PRO A 89 86.328 -12.178 -5.819 1.00 0.00 C ATOM 1464 CG PRO A 89 86.877 -11.950 -7.246 1.00 0.00 C ATOM 1465 CD PRO A 89 87.669 -10.630 -7.201 1.00 0.00 C ATOM 0 HA PRO A 89 86.694 -10.932 -4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.335 -13.238 -5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.295 -11.838 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.517 -12.777 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.064 -11.891 -7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.623 -10.720 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.120 -9.819 -7.680 1.00 0.00 H new ATOM 1473 N ASP A 90 89.529 -11.890 -4.190 1.00 0.00 N ATOM 1474 CA ASP A 90 90.564 -12.722 -3.527 1.00 0.00 C ATOM 1475 C ASP A 90 91.084 -11.977 -2.294 1.00 0.00 C ATOM 1476 O ASP A 90 91.938 -12.466 -1.581 1.00 0.00 O ATOM 1477 CB ASP A 90 91.721 -12.971 -4.498 1.00 0.00 C ATOM 1478 CG ASP A 90 91.171 -13.146 -5.914 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.078 -13.671 -6.044 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.853 -12.752 -6.846 1.00 0.00 O ATOM 0 H ASP A 90 89.870 -11.026 -4.611 1.00 0.00 H new ATOM 0 HA ASP A 90 90.134 -13.678 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.420 -12.135 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.275 -13.861 -4.199 1.00 0.00 H new ATOM 1485 N ILE A 91 90.579 -10.795 -2.035 1.00 0.00 N ATOM 1486 CA ILE A 91 91.056 -10.028 -0.848 1.00 0.00 C ATOM 1487 C ILE A 91 90.192 -10.381 0.369 1.00 0.00 C ATOM 1488 O ILE A 91 88.981 -10.445 0.287 1.00 0.00 O ATOM 1489 CB ILE A 91 91.011 -8.497 -1.130 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.946 -7.803 -0.260 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.695 -8.214 -2.604 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.684 -6.390 -0.786 1.00 0.00 C ATOM 0 H ILE A 91 89.861 -10.332 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 91 92.091 -10.299 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 91 91.997 -8.102 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.022 -8.381 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 91 90.283 -7.758 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.670 -7.137 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.465 -8.661 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.725 -8.643 -2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.930 -5.905 -0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.608 -5.812 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.328 -6.445 -1.815 1.00 0.00 H new ATOM 1504 N GLU A 92 90.808 -10.596 1.497 1.00 0.00 N ATOM 1505 CA GLU A 92 90.028 -10.927 2.723 1.00 0.00 C ATOM 1506 C GLU A 92 90.269 -9.849 3.777 1.00 0.00 C ATOM 1507 O GLU A 92 91.266 -9.851 4.470 1.00 0.00 O ATOM 1508 CB GLU A 92 90.467 -12.291 3.265 1.00 0.00 C ATOM 1509 CG GLU A 92 89.239 -13.171 3.499 1.00 0.00 C ATOM 1510 CD GLU A 92 89.685 -14.548 3.991 1.00 0.00 C ATOM 1511 OE1 GLU A 92 89.977 -15.388 3.156 1.00 0.00 O ATOM 1512 OE2 GLU A 92 89.727 -14.739 5.196 1.00 0.00 O ATOM 0 H GLU A 92 91.819 -10.557 1.624 1.00 0.00 H new ATOM 0 HA GLU A 92 88.966 -10.968 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 92 91.143 -12.773 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 92 91.018 -12.163 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.580 -12.707 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.668 -13.270 2.576 1.00 0.00 H new ATOM 1519 N GLU A 93 89.363 -8.922 3.893 1.00 0.00 N ATOM 1520 CA GLU A 93 89.541 -7.831 4.887 1.00 0.00 C ATOM 1521 C GLU A 93 89.440 -8.380 6.309 1.00 0.00 C ATOM 1522 O GLU A 93 88.528 -9.108 6.647 1.00 0.00 O ATOM 1523 CB GLU A 93 88.471 -6.764 4.667 1.00 0.00 C ATOM 1524 CG GLU A 93 87.087 -7.359 4.938 1.00 0.00 C ATOM 1525 CD GLU A 93 86.490 -6.712 6.189 1.00 0.00 C ATOM 1526 OE1 GLU A 93 87.153 -6.724 7.213 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.379 -6.214 6.102 1.00 0.00 O ATOM 0 H GLU A 93 88.506 -8.873 3.342 1.00 0.00 H new ATOM 0 HA GLU A 93 90.530 -7.391 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.649 -5.915 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.523 -6.389 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.433 -7.192 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.163 -8.438 5.075 1.00 0.00 H new ATOM 1534 N VAL A 94 90.380 -8.027 7.143 1.00 0.00 N ATOM 1535 CA VAL A 94 90.359 -8.512 8.548 1.00 0.00 C ATOM 1536 C VAL A 94 90.813 -7.381 9.477 1.00 0.00 C ATOM 1537 O VAL A 94 91.987 -7.228 9.758 1.00 0.00 O ATOM 1538 CB VAL A 94 91.308 -9.704 8.685 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.409 -10.119 10.155 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.770 -10.876 7.861 1.00 0.00 C ATOM 0 H VAL A 94 91.165 -7.420 6.908 1.00 0.00 H new ATOM 0 HA VAL A 94 89.349 -8.821 8.819 1.00 0.00 H new ATOM 0 HB VAL A 94 92.297 -9.423 8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.086 -10.968 10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.791 -9.285 10.743 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.422 -10.400 10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.444 -11.727 7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.781 -11.153 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.701 -10.583 6.813 1.00 0.00 H new ATOM 1550 N LYS A 95 89.895 -6.584 9.955 1.00 0.00 N ATOM 1551 CA LYS A 95 90.277 -5.467 10.864 1.00 0.00 C ATOM 1552 C LYS A 95 90.219 -5.947 12.311 1.00 0.00 C ATOM 1553 O LYS A 95 90.077 -5.172 13.236 1.00 0.00 O ATOM 1554 CB LYS A 95 89.311 -4.299 10.676 1.00 0.00 C ATOM 1555 CG LYS A 95 87.906 -4.741 11.084 1.00 0.00 C ATOM 1556 CD LYS A 95 87.069 -3.515 11.451 1.00 0.00 C ATOM 1557 CE LYS A 95 86.453 -3.711 12.838 1.00 0.00 C ATOM 1558 NZ LYS A 95 85.444 -2.644 13.089 1.00 0.00 N ATOM 0 H LYS A 95 88.898 -6.659 9.755 1.00 0.00 H new ATOM 0 HA LYS A 95 91.290 -5.140 10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.628 -3.448 11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.315 -3.971 9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.433 -5.285 10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.960 -5.424 11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.692 -2.621 11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 95 86.283 -3.364 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 95 85.984 -4.693 12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.231 -3.678 13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 85.025 -2.777 14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 85.905 -1.713 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 84.697 -2.696 12.368 1.00 0.00 H new ATOM 1572 N ASP A 96 90.339 -7.223 12.502 1.00 0.00 N ATOM 1573 CA ASP A 96 90.305 -7.792 13.881 1.00 0.00 C ATOM 1574 C ASP A 96 89.202 -7.114 14.696 1.00 0.00 C ATOM 1575 O ASP A 96 88.353 -6.425 14.166 1.00 0.00 O ATOM 1576 CB ASP A 96 91.657 -7.560 14.565 1.00 0.00 C ATOM 1577 CG ASP A 96 92.770 -7.523 13.515 1.00 0.00 C ATOM 1578 OD1 ASP A 96 93.188 -8.586 13.085 1.00 0.00 O ATOM 1579 OD2 ASP A 96 93.183 -6.433 13.157 1.00 0.00 O ATOM 0 H ASP A 96 90.461 -7.909 11.757 1.00 0.00 H new ATOM 0 HA ASP A 96 90.104 -8.862 13.821 1.00 0.00 H new ATOM 0 HB2 ASP A 96 91.638 -6.623 15.121 1.00 0.00 H new ATOM 0 HB3 ASP A 96 91.851 -8.354 15.286 1.00 0.00 H new ATOM 1584 N ARG A 97 89.212 -7.306 15.987 1.00 0.00 N ATOM 1585 CA ARG A 97 88.174 -6.679 16.850 1.00 0.00 C ATOM 1586 C ARG A 97 88.686 -6.634 18.291 1.00 0.00 C ATOM 1587 O ARG A 97 88.656 -5.606 18.938 1.00 0.00 O ATOM 1588 CB ARG A 97 86.887 -7.505 16.790 1.00 0.00 C ATOM 1589 CG ARG A 97 85.806 -6.830 17.637 1.00 0.00 C ATOM 1590 CD ARG A 97 84.511 -6.730 16.830 1.00 0.00 C ATOM 1591 NE ARG A 97 83.354 -7.073 17.704 1.00 0.00 N ATOM 1592 CZ ARG A 97 82.161 -7.217 17.190 1.00 0.00 C ATOM 1593 NH1 ARG A 97 81.976 -7.061 15.907 1.00 0.00 N ATOM 1594 NH2 ARG A 97 81.153 -7.518 17.963 1.00 0.00 N ATOM 0 H ARG A 97 89.899 -7.874 16.483 1.00 0.00 H new ATOM 0 HA ARG A 97 87.967 -5.668 16.500 1.00 0.00 H new ATOM 0 HB2 ARG A 97 86.550 -7.598 15.758 1.00 0.00 H new ATOM 0 HB3 ARG A 97 87.073 -8.515 17.156 1.00 0.00 H new ATOM 0 HG2 ARG A 97 85.635 -7.401 18.549 1.00 0.00 H new ATOM 0 HG3 ARG A 97 86.135 -5.836 17.940 1.00 0.00 H new ATOM 0 HD2 ARG A 97 84.394 -5.722 16.433 1.00 0.00 H new ATOM 0 HD3 ARG A 97 84.549 -7.406 15.976 1.00 0.00 H new ATOM 0 HE ARG A 97 83.494 -7.196 18.707 1.00 0.00 H new ATOM 0 HH11 ARG A 97 82.764 -6.826 15.303 1.00 0.00 H new ATOM 0 HH12 ARG A 97 81.044 -7.174 15.509 1.00 0.00 H new ATOM 0 HH21 ARG A 97 81.298 -7.640 18.965 1.00 0.00 H new ATOM 0 HH22 ARG A 97 80.221 -7.631 17.565 1.00 0.00 H new ATOM 1608 N SER A 98 89.159 -7.742 18.794 1.00 0.00 N ATOM 1609 CA SER A 98 89.680 -7.766 20.189 1.00 0.00 C ATOM 1610 C SER A 98 90.913 -8.666 20.254 1.00 0.00 C ATOM 1611 O SER A 98 91.111 -9.402 21.201 1.00 0.00 O ATOM 1612 CB SER A 98 88.606 -8.310 21.130 1.00 0.00 C ATOM 1613 OG SER A 98 87.520 -7.395 21.184 1.00 0.00 O ATOM 0 H SER A 98 89.207 -8.632 18.298 1.00 0.00 H new ATOM 0 HA SER A 98 89.948 -6.754 20.492 1.00 0.00 H new ATOM 0 HB2 SER A 98 88.260 -9.283 20.781 1.00 0.00 H new ATOM 0 HB3 SER A 98 89.021 -8.458 22.127 1.00 0.00 H new ATOM 0 HG SER A 98 86.829 -7.743 21.786 1.00 0.00 H new ATOM 1619 N ILE A 99 91.743 -8.613 19.252 1.00 0.00 N ATOM 1620 CA ILE A 99 92.963 -9.465 19.248 1.00 0.00 C ATOM 1621 C ILE A 99 94.171 -8.623 18.821 1.00 0.00 C ATOM 1622 O ILE A 99 94.988 -8.238 19.633 1.00 0.00 O ATOM 1623 CB ILE A 99 92.764 -10.621 18.268 1.00 0.00 C ATOM 1624 CG1 ILE A 99 91.402 -11.273 18.523 1.00 0.00 C ATOM 1625 CG2 ILE A 99 93.869 -11.658 18.469 1.00 0.00 C ATOM 1626 CD1 ILE A 99 91.448 -12.063 19.833 1.00 0.00 C ATOM 0 H ILE A 99 91.629 -8.015 18.434 1.00 0.00 H new ATOM 0 HA ILE A 99 93.140 -9.863 20.247 1.00 0.00 H new ATOM 0 HB ILE A 99 92.804 -10.243 17.247 1.00 0.00 H new ATOM 0 HG12 ILE A 99 90.626 -10.509 18.574 1.00 0.00 H new ATOM 0 HG13 ILE A 99 91.144 -11.935 17.696 1.00 0.00 H new ATOM 0 HG21 ILE A 99 93.726 -12.482 17.770 1.00 0.00 H new ATOM 0 HG22 ILE A 99 94.839 -11.195 18.291 1.00 0.00 H new ATOM 0 HG23 ILE A 99 93.830 -12.038 19.490 1.00 0.00 H new ATOM 0 HD11 ILE A 99 90.478 -12.526 20.013 1.00 0.00 H new ATOM 0 HD12 ILE A 99 92.213 -12.837 19.765 1.00 0.00 H new ATOM 0 HD13 ILE A 99 91.686 -11.389 20.656 1.00 0.00 H new ATOM 1638 N LYS A 100 94.280 -8.323 17.555 1.00 0.00 N ATOM 1639 CA LYS A 100 95.423 -7.495 17.079 1.00 0.00 C ATOM 1640 C LYS A 100 95.010 -6.027 17.126 1.00 0.00 C ATOM 1641 O LYS A 100 94.770 -5.404 16.110 1.00 0.00 O ATOM 1642 CB LYS A 100 95.777 -7.884 15.642 1.00 0.00 C ATOM 1643 CG LYS A 100 97.291 -8.064 15.517 1.00 0.00 C ATOM 1644 CD LYS A 100 97.859 -6.977 14.603 1.00 0.00 C ATOM 1645 CE LYS A 100 98.946 -6.201 15.349 1.00 0.00 C ATOM 1646 NZ LYS A 100 98.325 -5.072 16.099 1.00 0.00 N ATOM 0 H LYS A 100 93.626 -8.616 16.830 1.00 0.00 H new ATOM 0 HA LYS A 100 96.293 -7.659 17.714 1.00 0.00 H new ATOM 0 HB2 LYS A 100 95.267 -8.808 15.369 1.00 0.00 H new ATOM 0 HB3 LYS A 100 95.434 -7.114 14.951 1.00 0.00 H new ATOM 0 HG2 LYS A 100 97.757 -8.008 16.501 1.00 0.00 H new ATOM 0 HG3 LYS A 100 97.519 -9.050 15.112 1.00 0.00 H new ATOM 0 HD2 LYS A 100 98.272 -7.426 13.700 1.00 0.00 H new ATOM 0 HD3 LYS A 100 97.065 -6.300 14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 100 99.473 -6.862 16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 100 99.685 -5.820 14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 99.064 -4.544 16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 97.841 -4.437 15.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 97.636 -5.446 16.782 1.00 0.00 H new ATOM 1660 N LYS A 101 94.902 -5.476 18.300 1.00 0.00 N ATOM 1661 CA LYS A 101 94.477 -4.052 18.415 1.00 0.00 C ATOM 1662 C LYS A 101 95.486 -3.285 19.271 1.00 0.00 C ATOM 1663 O LYS A 101 95.126 -2.613 20.217 1.00 0.00 O ATOM 1664 CB LYS A 101 93.082 -3.953 19.063 1.00 0.00 C ATOM 1665 CG LYS A 101 92.448 -5.344 19.259 1.00 0.00 C ATOM 1666 CD LYS A 101 92.514 -5.740 20.740 1.00 0.00 C ATOM 1667 CE LYS A 101 93.895 -5.408 21.317 1.00 0.00 C ATOM 1668 NZ LYS A 101 94.490 -6.635 21.919 1.00 0.00 N ATOM 0 H LYS A 101 95.089 -5.947 19.185 1.00 0.00 H new ATOM 0 HA LYS A 101 94.433 -3.620 17.415 1.00 0.00 H new ATOM 0 HB2 LYS A 101 93.163 -3.450 20.027 1.00 0.00 H new ATOM 0 HB3 LYS A 101 92.432 -3.341 18.437 1.00 0.00 H new ATOM 0 HG2 LYS A 101 91.412 -5.332 18.922 1.00 0.00 H new ATOM 0 HG3 LYS A 101 92.972 -6.082 18.652 1.00 0.00 H new ATOM 0 HD2 LYS A 101 91.742 -5.212 21.300 1.00 0.00 H new ATOM 0 HD3 LYS A 101 92.314 -6.806 20.848 1.00 0.00 H new ATOM 0 HE2 LYS A 101 94.546 -5.023 20.532 1.00 0.00 H new ATOM 0 HE3 LYS A 101 93.807 -4.626 22.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 95.352 -6.382 22.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 93.805 -7.070 22.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 94.728 -7.311 21.165 1.00 0.00 H new ATOM 1682 N GLY A 102 96.745 -3.374 18.946 1.00 0.00 N ATOM 1683 CA GLY A 102 97.774 -2.645 19.740 1.00 0.00 C ATOM 1684 C GLY A 102 97.376 -1.172 19.858 1.00 0.00 C ATOM 1685 O GLY A 102 96.754 -0.763 20.818 1.00 0.00 O ATOM 0 H GLY A 102 97.107 -3.920 18.164 1.00 0.00 H new ATOM 0 HA2 GLY A 102 97.866 -3.089 20.731 1.00 0.00 H new ATOM 0 HA3 GLY A 102 98.749 -2.732 19.260 1.00 0.00 H new ATOM 1689 N ASN A 103 97.729 -0.373 18.889 1.00 0.00 N ATOM 1690 CA ASN A 103 97.369 1.071 18.945 1.00 0.00 C ATOM 1691 C ASN A 103 97.300 1.632 17.523 1.00 0.00 C ATOM 1692 O ASN A 103 97.473 2.813 17.301 1.00 0.00 O ATOM 1693 CB ASN A 103 98.429 1.834 19.743 1.00 0.00 C ATOM 1694 CG ASN A 103 97.754 2.937 20.559 1.00 0.00 C ATOM 1695 OD1 ASN A 103 96.545 3.051 20.564 1.00 0.00 O ATOM 1696 ND2 ASN A 103 98.488 3.762 21.255 1.00 0.00 N ATOM 0 H ASN A 103 98.251 -0.658 18.061 1.00 0.00 H new ATOM 0 HA ASN A 103 96.400 1.185 19.431 1.00 0.00 H new ATOM 0 HB2 ASN A 103 98.963 1.152 20.405 1.00 0.00 H new ATOM 0 HB3 ASN A 103 99.167 2.266 19.068 1.00 0.00 H new ATOM 0 HD21 ASN A 103 98.046 4.501 21.802 1.00 0.00 H new ATOM 0 HD22 ASN A 103 99.504 3.668 21.252 1.00 0.00 H new ATOM 1703 N ASN A 104 97.047 0.790 16.559 1.00 0.00 N ATOM 1704 CA ASN A 104 96.966 1.269 15.152 1.00 0.00 C ATOM 1705 C ASN A 104 95.610 0.880 14.559 1.00 0.00 C ATOM 1706 O ASN A 104 94.927 1.689 13.965 1.00 0.00 O ATOM 1707 CB ASN A 104 98.087 0.629 14.331 1.00 0.00 C ATOM 1708 CG ASN A 104 99.403 1.358 14.615 1.00 0.00 C ATOM 1709 OD1 ASN A 104 100.027 1.136 15.633 1.00 0.00 O ATOM 1710 ND2 ASN A 104 99.854 2.224 13.748 1.00 0.00 N ATOM 0 H ASN A 104 96.893 -0.210 16.686 1.00 0.00 H new ATOM 0 HA ASN A 104 97.074 2.353 15.129 1.00 0.00 H new ATOM 0 HB2 ASN A 104 98.181 -0.427 14.584 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.851 0.682 13.268 1.00 0.00 H new ATOM 0 HD21 ASN A 104 100.731 2.714 13.926 1.00 0.00 H new ATOM 0 HD22 ASN A 104 99.330 2.410 12.893 1.00 0.00 H new ATOM 1717 N ALA A 105 95.215 -0.355 14.720 1.00 0.00 N ATOM 1718 CA ALA A 105 93.902 -0.793 14.169 1.00 0.00 C ATOM 1719 C ALA A 105 93.910 -0.639 12.649 1.00 0.00 C ATOM 1720 O ALA A 105 93.651 0.426 12.123 1.00 0.00 O ATOM 1721 CB ALA A 105 92.788 0.071 14.762 1.00 0.00 C ATOM 0 H ALA A 105 95.744 -1.077 15.208 1.00 0.00 H new ATOM 0 HA ALA A 105 93.730 -1.838 14.427 1.00 0.00 H new ATOM 0 HB1 ALA A 105 91.827 -0.248 14.360 1.00 0.00 H new ATOM 0 HB2 ALA A 105 92.782 -0.038 15.847 1.00 0.00 H new ATOM 0 HB3 ALA A 105 92.961 1.116 14.503 1.00 0.00 H new ATOM 1727 N PHE A 106 94.202 -1.690 11.933 1.00 0.00 N ATOM 1728 CA PHE A 106 94.220 -1.588 10.446 1.00 0.00 C ATOM 1729 C PHE A 106 93.237 -2.583 9.834 1.00 0.00 C ATOM 1730 O PHE A 106 92.582 -3.348 10.516 1.00 0.00 O ATOM 1731 CB PHE A 106 95.608 -1.917 9.885 1.00 0.00 C ATOM 1732 CG PHE A 106 96.615 -2.109 10.984 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.565 -3.248 11.788 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.614 -1.152 11.181 1.00 0.00 C ATOM 1735 CE1 PHE A 106 97.516 -3.432 12.793 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.565 -1.331 12.185 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.518 -2.475 12.995 1.00 0.00 C ATOM 0 H PHE A 106 94.428 -2.610 12.310 1.00 0.00 H new ATOM 0 HA PHE A 106 93.946 -0.564 10.193 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.552 -2.822 9.280 1.00 0.00 H new ATOM 0 HB3 PHE A 106 95.935 -1.113 9.226 1.00 0.00 H new ATOM 0 HD1 PHE A 106 95.792 -3.986 11.633 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.650 -0.273 10.555 1.00 0.00 H new ATOM 0 HE1 PHE A 106 97.479 -4.314 13.416 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.336 -0.590 12.339 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.253 -2.618 13.773 1.00 0.00 H new ATOM 1747 N ARG A 107 93.184 -2.599 8.536 1.00 0.00 N ATOM 1748 CA ARG A 107 92.319 -3.553 7.805 1.00 0.00 C ATOM 1749 C ARG A 107 93.267 -4.560 7.159 1.00 0.00 C ATOM 1750 O ARG A 107 93.825 -4.326 6.101 1.00 0.00 O ATOM 1751 CB ARG A 107 91.515 -2.802 6.736 1.00 0.00 C ATOM 1752 CG ARG A 107 90.037 -3.178 6.836 1.00 0.00 C ATOM 1753 CD ARG A 107 89.307 -2.155 7.710 1.00 0.00 C ATOM 1754 NE ARG A 107 90.109 -1.885 8.936 1.00 0.00 N ATOM 1755 CZ ARG A 107 89.924 -0.782 9.613 1.00 0.00 C ATOM 1756 NH1 ARG A 107 89.035 0.091 9.222 1.00 0.00 N ATOM 1757 NH2 ARG A 107 90.630 -0.556 10.687 1.00 0.00 N ATOM 0 H ARG A 107 93.720 -1.972 7.936 1.00 0.00 H new ATOM 0 HA ARG A 107 91.605 -4.050 8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.635 -1.727 6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.895 -3.047 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.590 -3.207 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.933 -4.176 7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.152 -1.231 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 107 88.321 -2.532 7.983 1.00 0.00 H new ATOM 0 HE ARG A 107 90.804 -2.563 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.481 -0.086 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 107 88.895 0.950 9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 107 91.323 -1.238 10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 107 90.489 0.303 11.218 1.00 0.00 H new ATOM 1771 N VAL A 108 93.497 -5.657 7.824 1.00 0.00 N ATOM 1772 CA VAL A 108 94.446 -6.666 7.293 1.00 0.00 C ATOM 1773 C VAL A 108 93.786 -7.452 6.162 1.00 0.00 C ATOM 1774 O VAL A 108 92.937 -8.292 6.384 1.00 0.00 O ATOM 1775 CB VAL A 108 94.858 -7.597 8.430 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.102 -8.383 8.032 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.184 -6.755 9.661 1.00 0.00 C ATOM 0 H VAL A 108 93.065 -5.897 8.716 1.00 0.00 H new ATOM 0 HA VAL A 108 95.333 -6.175 6.892 1.00 0.00 H new ATOM 0 HB VAL A 108 94.044 -8.289 8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.390 -9.045 8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.889 -8.975 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.917 -7.691 7.821 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.480 -7.409 10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.001 -6.072 9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.304 -6.182 9.953 1.00 0.00 H new ATOM 1787 N TYR A 109 94.164 -7.169 4.946 1.00 0.00 N ATOM 1788 CA TYR A 109 93.558 -7.880 3.791 1.00 0.00 C ATOM 1789 C TYR A 109 94.366 -9.133 3.459 1.00 0.00 C ATOM 1790 O TYR A 109 95.579 -9.141 3.512 1.00 0.00 O ATOM 1791 CB TYR A 109 93.542 -6.954 2.574 1.00 0.00 C ATOM 1792 CG TYR A 109 92.304 -6.091 2.614 1.00 0.00 C ATOM 1793 CD1 TYR A 109 91.753 -5.722 3.845 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.705 -5.667 1.423 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.601 -4.928 3.887 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.554 -4.870 1.465 1.00 0.00 C ATOM 1797 CZ TYR A 109 90.001 -4.501 2.697 1.00 0.00 C ATOM 1798 OH TYR A 109 88.864 -3.719 2.739 1.00 0.00 O ATOM 0 H TYR A 109 94.869 -6.473 4.704 1.00 0.00 H new ATOM 0 HA TYR A 109 92.540 -8.170 4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.434 -6.328 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.559 -7.542 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.216 -6.050 4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 109 92.130 -5.954 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.175 -4.645 4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.093 -4.540 0.546 1.00 0.00 H new ATOM 0 HH TYR A 109 88.909 -3.117 3.511 1.00 0.00 H new ATOM 1808 N ARG A 110 93.690 -10.189 3.105 1.00 0.00 N ATOM 1809 CA ARG A 110 94.390 -11.450 2.749 1.00 0.00 C ATOM 1810 C ARG A 110 94.114 -11.761 1.276 1.00 0.00 C ATOM 1811 O ARG A 110 93.002 -12.073 0.898 1.00 0.00 O ATOM 1812 CB ARG A 110 93.861 -12.590 3.626 1.00 0.00 C ATOM 1813 CG ARG A 110 94.286 -13.933 3.032 1.00 0.00 C ATOM 1814 CD ARG A 110 94.214 -15.015 4.112 1.00 0.00 C ATOM 1815 NE ARG A 110 95.319 -15.994 3.905 1.00 0.00 N ATOM 1816 CZ ARG A 110 95.221 -16.907 2.975 1.00 0.00 C ATOM 1817 NH1 ARG A 110 94.154 -16.967 2.224 1.00 0.00 N ATOM 1818 NH2 ARG A 110 96.196 -17.754 2.791 1.00 0.00 N ATOM 0 H ARG A 110 92.673 -10.231 3.047 1.00 0.00 H new ATOM 0 HA ARG A 110 95.463 -11.344 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 110 94.247 -12.491 4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 110 92.774 -12.538 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 110 93.637 -14.195 2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.300 -13.864 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 110 94.294 -14.563 5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 110 93.250 -15.523 4.070 1.00 0.00 H new ATOM 0 HE ARG A 110 96.153 -15.951 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 110 93.395 -16.300 2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 110 94.080 -17.681 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 110 97.033 -17.703 3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 110 96.122 -18.467 2.066 1.00 0.00 H new ATOM 1832 N MET A 111 95.109 -11.666 0.439 1.00 0.00 N ATOM 1833 CA MET A 111 94.890 -11.947 -1.008 1.00 0.00 C ATOM 1834 C MET A 111 95.187 -13.420 -1.297 1.00 0.00 C ATOM 1835 O MET A 111 96.309 -13.795 -1.567 1.00 0.00 O ATOM 1836 CB MET A 111 95.815 -11.063 -1.848 1.00 0.00 C ATOM 1837 CG MET A 111 95.454 -9.593 -1.629 1.00 0.00 C ATOM 1838 SD MET A 111 94.644 -8.942 -3.111 1.00 0.00 S ATOM 1839 CE MET A 111 96.147 -8.471 -4.003 1.00 0.00 C ATOM 0 H MET A 111 96.062 -11.407 0.693 1.00 0.00 H new ATOM 0 HA MET A 111 93.853 -11.731 -1.264 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.854 -11.238 -1.570 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.720 -11.318 -2.903 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.793 -9.494 -0.768 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.352 -9.016 -1.409 1.00 0.00 H new ATOM 0 HE1 MET A 111 95.947 -8.463 -5.074 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.462 -7.477 -3.686 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.938 -9.189 -3.787 1.00 0.00 H new ATOM 1849 N LEU A 112 94.188 -14.257 -1.248 1.00 0.00 N ATOM 1850 CA LEU A 112 94.418 -15.703 -1.526 1.00 0.00 C ATOM 1851 C LEU A 112 94.707 -15.887 -3.017 1.00 0.00 C ATOM 1852 O LEU A 112 94.210 -15.142 -3.838 1.00 0.00 O ATOM 1853 CB LEU A 112 93.170 -16.502 -1.143 1.00 0.00 C ATOM 1854 CG LEU A 112 91.923 -15.776 -1.650 1.00 0.00 C ATOM 1855 CD1 LEU A 112 91.103 -16.722 -2.528 1.00 0.00 C ATOM 1856 CD2 LEU A 112 91.076 -15.325 -0.458 1.00 0.00 C ATOM 0 H LEU A 112 93.225 -14.004 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 112 95.266 -16.059 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 112 93.220 -17.503 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 112 93.120 -16.621 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 112 92.222 -14.906 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.214 -16.204 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 112 91.706 -17.044 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.804 -17.593 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 112 90.187 -14.807 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.777 -16.195 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 112 91.660 -14.650 0.169 1.00 0.00 H new ATOM 1868 N PRO A 113 95.508 -16.876 -3.322 1.00 0.00 N ATOM 1869 CA PRO A 113 95.889 -17.188 -4.708 1.00 0.00 C ATOM 1870 C PRO A 113 94.748 -17.906 -5.431 1.00 0.00 C ATOM 1871 O PRO A 113 94.697 -17.821 -6.647 1.00 0.00 O ATOM 1872 CB PRO A 113 97.102 -18.103 -4.554 1.00 0.00 C ATOM 1873 CG PRO A 113 97.009 -18.709 -3.138 1.00 0.00 C ATOM 1874 CD PRO A 113 96.102 -17.776 -2.315 1.00 0.00 C ATOM 1875 OXT PRO A 113 93.943 -18.527 -4.756 1.00 0.00 O ATOM 0 HA PRO A 113 96.108 -16.299 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.098 -18.885 -5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.029 -17.544 -4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 113 96.595 -19.717 -3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 113 97.997 -18.786 -2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 113 95.336 -18.336 -1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.672 -17.221 -1.570 1.00 0.00 H new TER 1883 PRO A 113