USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 MET CE :methyl -164:sc= -0.379 (180deg=-0.829) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.154 K(o=-0.53,f=-4.6!) USER MOD Set 2.1: A 19 THR OG1 : rot -85:sc= 1.08 USER MOD Set 2.2: A 105 LYS NZ :NH3+ -138:sc= 0.709 (180deg=-4.03!) USER MOD Set 3.1: A 11 GLN : amide:sc= -0.079 K(o=0.93,f=-7.7!) USER MOD Set 3.2: A 79 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0) USER MOD Single : A 2 SER OG : rot 127:sc= 0.609 USER MOD Single : A 4 ASN : amide:sc= -0.321 K(o=-0.32,f=-3.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 1.22 (180deg=0.799) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= 0.00379 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 39 SER OG : rot -165:sc= -1.08 USER MOD Single : A 41 SER OG : rot -173:sc= -1.72! USER MOD Single : A 46 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.02) USER MOD Single : A 53 SER OG : rot 43:sc= 0.0219 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -134:sc= 1.22 (180deg=1.03) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.19) USER MOD Single : A 72 ASN : amide:sc= -2.92! C(o=-2.9!,f=-6.1!) USER MOD Single : A 76 SER OG : rot 35:sc= 0.0754 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.634) USER MOD Single : A 91 SER OG : rot 101:sc= 1.09 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 1.08 (180deg=0.551) USER MOD Single : A 104 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -5.727 21.331 -2.891 1.00 0.00 N ATOM 15 CA SER A 2 -5.545 19.956 -2.470 1.00 0.00 C ATOM 16 C SER A 2 -4.568 19.227 -3.383 1.00 0.00 C ATOM 17 O SER A 2 -4.122 19.772 -4.394 1.00 0.00 O ATOM 18 CB SER A 2 -6.899 19.250 -2.479 1.00 0.00 C ATOM 19 OG SER A 2 -7.604 19.548 -3.676 1.00 0.00 O ATOM 0 HA SER A 2 -5.128 19.947 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.755 18.173 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.486 19.564 -1.616 1.00 0.00 H new ATOM 0 HG SER A 2 -7.886 18.714 -4.106 1.00 0.00 H new ATOM 25 N ARG A 3 -4.233 18.002 -3.016 1.00 0.00 N ATOM 26 CA ARG A 3 -3.408 17.151 -3.850 1.00 0.00 C ATOM 27 C ARG A 3 -4.222 15.971 -4.343 1.00 0.00 C ATOM 28 O ARG A 3 -5.348 15.750 -3.885 1.00 0.00 O ATOM 29 CB ARG A 3 -2.188 16.641 -3.086 1.00 0.00 C ATOM 30 CG ARG A 3 -1.104 17.681 -2.881 1.00 0.00 C ATOM 31 CD ARG A 3 0.137 17.045 -2.280 1.00 0.00 C ATOM 32 NE ARG A 3 1.224 18.001 -2.094 1.00 0.00 N ATOM 33 CZ ARG A 3 2.499 17.729 -2.364 1.00 0.00 C ATOM 34 NH1 ARG A 3 2.834 16.543 -2.861 1.00 0.00 N ATOM 35 NH2 ARG A 3 3.436 18.641 -2.133 1.00 0.00 N ATOM 0 H ARG A 3 -4.524 17.573 -2.137 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.061 17.743 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.511 16.272 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.765 15.793 -3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.855 18.148 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.469 18.471 -2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.117 16.598 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.476 16.236 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 3 0.994 18.929 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.114 15.841 -3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.811 16.334 -3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.179 19.550 -1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.413 18.432 -2.340 1.00 0.00 H new ATOM 49 N ASN A 4 -3.650 15.219 -5.271 1.00 0.00 N ATOM 50 CA ASN A 4 -4.306 14.038 -5.809 1.00 0.00 C ATOM 51 C ASN A 4 -3.282 12.992 -6.242 1.00 0.00 C ATOM 52 O ASN A 4 -2.697 13.084 -7.320 1.00 0.00 O ATOM 53 CB ASN A 4 -5.239 14.408 -6.977 1.00 0.00 C ATOM 54 CG ASN A 4 -4.571 15.265 -8.041 1.00 0.00 C ATOM 55 OD1 ASN A 4 -4.009 14.759 -9.012 1.00 0.00 O ATOM 56 ND2 ASN A 4 -4.636 16.576 -7.870 1.00 0.00 N ATOM 0 H ASN A 4 -2.729 15.407 -5.668 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.915 13.605 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.610 13.493 -7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.105 14.940 -6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.212 17.201 -8.555 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.110 16.961 -7.053 1.00 0.00 H new ATOM 63 N PRO A 5 -2.994 12.018 -5.367 1.00 0.00 N ATOM 64 CA PRO A 5 -2.200 10.844 -5.730 1.00 0.00 C ATOM 65 C PRO A 5 -2.868 10.033 -6.837 1.00 0.00 C ATOM 66 O PRO A 5 -3.991 10.330 -7.254 1.00 0.00 O ATOM 67 CB PRO A 5 -2.132 10.032 -4.431 1.00 0.00 C ATOM 68 CG PRO A 5 -2.419 11.014 -3.350 1.00 0.00 C ATOM 69 CD PRO A 5 -3.376 12.002 -3.949 1.00 0.00 C ATOM 0 HA PRO A 5 -1.218 11.115 -6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.861 9.222 -4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.150 9.577 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.855 10.523 -2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.506 11.506 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.412 11.692 -3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.276 12.987 -3.493 1.00 0.00 H new ATOM 77 N GLU A 6 -2.187 8.999 -7.294 1.00 0.00 N ATOM 78 CA GLU A 6 -2.665 8.215 -8.418 1.00 0.00 C ATOM 79 C GLU A 6 -3.857 7.351 -8.017 1.00 0.00 C ATOM 80 O GLU A 6 -3.780 6.558 -7.074 1.00 0.00 O ATOM 81 CB GLU A 6 -1.527 7.359 -8.963 1.00 0.00 C ATOM 82 CG GLU A 6 -1.801 6.773 -10.334 1.00 0.00 C ATOM 83 CD GLU A 6 -0.537 6.646 -11.148 1.00 0.00 C ATOM 84 OE1 GLU A 6 0.152 5.616 -11.037 1.00 0.00 O ATOM 85 OE2 GLU A 6 -0.216 7.596 -11.894 1.00 0.00 O ATOM 0 H GLU A 6 -1.300 8.682 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.004 8.892 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.622 7.964 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.330 6.546 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.264 5.792 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.514 7.405 -10.864 1.00 0.00 H new ATOM 92 N VAL A 7 -4.957 7.529 -8.736 1.00 0.00 N ATOM 93 CA VAL A 7 -6.185 6.794 -8.473 1.00 0.00 C ATOM 94 C VAL A 7 -6.395 5.723 -9.537 1.00 0.00 C ATOM 95 O VAL A 7 -6.605 6.033 -10.712 1.00 0.00 O ATOM 96 CB VAL A 7 -7.412 7.740 -8.448 1.00 0.00 C ATOM 97 CG1 VAL A 7 -8.685 6.967 -8.151 1.00 0.00 C ATOM 98 CG2 VAL A 7 -7.209 8.854 -7.430 1.00 0.00 C ATOM 0 H VAL A 7 -5.023 8.184 -9.515 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.088 6.325 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.513 8.191 -9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.532 7.652 -8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.840 6.212 -8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.597 6.481 -7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.081 9.508 -7.427 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.077 8.421 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.323 9.432 -7.695 1.00 0.00 H new ATOM 108 N LEU A 8 -6.321 4.467 -9.129 1.00 0.00 N ATOM 109 CA LEU A 8 -6.489 3.357 -10.047 1.00 0.00 C ATOM 110 C LEU A 8 -7.894 2.787 -9.934 1.00 0.00 C ATOM 111 O LEU A 8 -8.316 2.380 -8.856 1.00 0.00 O ATOM 112 CB LEU A 8 -5.466 2.269 -9.731 1.00 0.00 C ATOM 113 CG LEU A 8 -4.016 2.736 -9.677 1.00 0.00 C ATOM 114 CD1 LEU A 8 -3.123 1.637 -9.120 1.00 0.00 C ATOM 115 CD2 LEU A 8 -3.540 3.156 -11.057 1.00 0.00 C ATOM 0 H LEU A 8 -6.145 4.192 -8.163 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.335 3.716 -11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.722 1.820 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.550 1.484 -10.483 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.957 3.599 -9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.091 1.987 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.449 1.379 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.188 0.757 -9.759 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.503 3.486 -10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.614 2.310 -11.740 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.161 3.973 -11.423 1.00 0.00 H new ATOM 127 N TRP A 9 -8.621 2.770 -11.032 1.00 0.00 N ATOM 128 CA TRP A 9 -9.965 2.210 -11.033 1.00 0.00 C ATOM 129 C TRP A 9 -10.017 0.944 -11.867 1.00 0.00 C ATOM 130 O TRP A 9 -9.213 0.751 -12.778 1.00 0.00 O ATOM 131 CB TRP A 9 -10.991 3.222 -11.551 1.00 0.00 C ATOM 132 CG TRP A 9 -10.750 3.665 -12.960 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.754 4.482 -13.391 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.522 3.325 -14.119 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.850 4.675 -14.746 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.930 3.979 -15.215 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.655 2.538 -14.336 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.430 3.865 -16.509 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -13.150 2.426 -15.621 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.540 3.089 -16.692 1.00 0.00 C ATOM 0 H TRP A 9 -8.310 3.134 -11.933 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.219 1.965 -10.002 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.986 2.782 -11.484 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.985 4.096 -10.900 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.995 4.917 -12.758 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.220 5.244 -15.311 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -13.135 2.027 -13.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.958 4.371 -17.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -14.023 1.816 -15.802 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.955 2.985 -17.684 1.00 0.00 H new ATOM 151 N ALA A 10 -10.960 0.086 -11.533 1.00 0.00 N ATOM 152 CA ALA A 10 -11.169 -1.152 -12.257 1.00 0.00 C ATOM 153 C ALA A 10 -12.647 -1.510 -12.262 1.00 0.00 C ATOM 154 O ALA A 10 -13.351 -1.302 -11.271 1.00 0.00 O ATOM 155 CB ALA A 10 -10.351 -2.279 -11.647 1.00 0.00 C ATOM 0 H ALA A 10 -11.602 0.227 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.837 -1.012 -13.286 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.524 -3.198 -12.207 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.292 -2.023 -11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.650 -2.425 -10.609 1.00 0.00 H new ATOM 161 N GLN A 11 -13.114 -2.043 -13.379 1.00 0.00 N ATOM 162 CA GLN A 11 -14.519 -2.394 -13.527 1.00 0.00 C ATOM 163 C GLN A 11 -14.734 -3.875 -13.278 1.00 0.00 C ATOM 164 O GLN A 11 -14.123 -4.722 -13.931 1.00 0.00 O ATOM 165 CB GLN A 11 -15.007 -2.025 -14.928 1.00 0.00 C ATOM 166 CG GLN A 11 -15.050 -0.528 -15.176 1.00 0.00 C ATOM 167 CD GLN A 11 -16.264 0.140 -14.555 1.00 0.00 C ATOM 168 OE1 GLN A 11 -16.808 -0.320 -13.554 1.00 0.00 O ATOM 169 NE2 GLN A 11 -16.709 1.223 -15.166 1.00 0.00 N ATOM 0 H GLN A 11 -12.541 -2.243 -14.199 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.092 -1.833 -12.788 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.354 -2.490 -15.666 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.004 -2.440 -15.079 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.145 -0.072 -14.774 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.050 -0.343 -16.250 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.230 1.574 -15.995 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.532 1.708 -14.809 1.00 0.00 H new ATOM 178 N ARG A 12 -15.589 -4.182 -12.321 1.00 0.00 N ATOM 179 CA ARG A 12 -15.959 -5.556 -12.047 1.00 0.00 C ATOM 180 C ARG A 12 -17.342 -5.810 -12.633 1.00 0.00 C ATOM 181 O ARG A 12 -17.952 -4.900 -13.199 1.00 0.00 O ATOM 182 CB ARG A 12 -15.951 -5.818 -10.539 1.00 0.00 C ATOM 183 CG ARG A 12 -15.611 -7.252 -10.161 1.00 0.00 C ATOM 184 CD ARG A 12 -14.173 -7.595 -10.519 1.00 0.00 C ATOM 185 NE ARG A 12 -13.779 -8.912 -10.023 1.00 0.00 N ATOM 186 CZ ARG A 12 -12.630 -9.513 -10.338 1.00 0.00 C ATOM 187 NH1 ARG A 12 -11.759 -8.912 -11.139 1.00 0.00 N ATOM 188 NH2 ARG A 12 -12.343 -10.712 -9.847 1.00 0.00 N ATOM 0 H ARG A 12 -16.042 -3.495 -11.718 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.239 -6.235 -12.505 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.231 -5.149 -10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.931 -5.569 -10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.765 -7.394 -9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.288 -7.935 -10.674 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.053 -7.566 -11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.507 -6.838 -10.104 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.421 -9.401 -9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.967 -7.987 -11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.882 -9.375 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.002 -11.180 -9.225 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.463 -11.166 -10.092 1.00 0.00 H new ATOM 202 N SER A 13 -17.840 -7.025 -12.492 1.00 0.00 N ATOM 203 CA SER A 13 -19.109 -7.399 -13.095 1.00 0.00 C ATOM 204 C SER A 13 -20.299 -6.684 -12.457 1.00 0.00 C ATOM 205 O SER A 13 -21.249 -6.344 -13.155 1.00 0.00 O ATOM 206 CB SER A 13 -19.301 -8.913 -13.031 1.00 0.00 C ATOM 207 OG SER A 13 -18.412 -9.570 -13.918 1.00 0.00 O ATOM 0 H SER A 13 -17.386 -7.771 -11.965 1.00 0.00 H new ATOM 0 HA SER A 13 -19.071 -7.082 -14.137 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.131 -9.263 -12.013 1.00 0.00 H new ATOM 0 HB3 SER A 13 -20.330 -9.165 -13.287 1.00 0.00 H new ATOM 0 HG SER A 13 -18.549 -10.539 -13.861 1.00 0.00 H new ATOM 213 N ASP A 14 -20.258 -6.445 -11.146 1.00 0.00 N ATOM 214 CA ASP A 14 -21.398 -5.823 -10.470 1.00 0.00 C ATOM 215 C ASP A 14 -20.986 -4.623 -9.623 1.00 0.00 C ATOM 216 O ASP A 14 -21.819 -4.033 -8.933 1.00 0.00 O ATOM 217 CB ASP A 14 -22.137 -6.840 -9.592 1.00 0.00 C ATOM 218 CG ASP A 14 -22.791 -7.949 -10.394 1.00 0.00 C ATOM 219 OD1 ASP A 14 -23.854 -7.705 -11.011 1.00 0.00 O ATOM 220 OD2 ASP A 14 -22.245 -9.072 -10.415 1.00 0.00 O ATOM 0 H ASP A 14 -19.467 -6.667 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.066 -5.468 -11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -21.435 -7.278 -8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -22.899 -6.323 -9.009 1.00 0.00 H new ATOM 225 N LYS A 15 -19.717 -4.238 -9.685 1.00 0.00 N ATOM 226 CA LYS A 15 -19.225 -3.145 -8.854 1.00 0.00 C ATOM 227 C LYS A 15 -17.940 -2.543 -9.421 1.00 0.00 C ATOM 228 O LYS A 15 -17.384 -3.049 -10.396 1.00 0.00 O ATOM 229 CB LYS A 15 -18.995 -3.635 -7.418 1.00 0.00 C ATOM 230 CG LYS A 15 -18.023 -4.797 -7.318 1.00 0.00 C ATOM 231 CD LYS A 15 -17.768 -5.204 -5.875 1.00 0.00 C ATOM 232 CE LYS A 15 -19.046 -5.648 -5.185 1.00 0.00 C ATOM 233 NZ LYS A 15 -18.789 -6.130 -3.806 1.00 0.00 N ATOM 0 H LYS A 15 -19.017 -4.660 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.983 -2.362 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.620 -2.807 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.951 -3.934 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.419 -5.649 -7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.079 -4.522 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.039 -6.014 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.333 -4.365 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.750 -4.816 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.516 -6.442 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.685 -6.424 -3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.137 -6.940 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.364 -5.365 -3.244 1.00 0.00 H new ATOM 247 N VAL A 16 -17.494 -1.450 -8.813 1.00 0.00 N ATOM 248 CA VAL A 16 -16.258 -0.783 -9.210 1.00 0.00 C ATOM 249 C VAL A 16 -15.207 -0.930 -8.115 1.00 0.00 C ATOM 250 O VAL A 16 -15.520 -0.832 -6.926 1.00 0.00 O ATOM 251 CB VAL A 16 -16.483 0.727 -9.486 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.189 1.397 -9.928 1.00 0.00 C ATOM 253 CG2 VAL A 16 -17.568 0.930 -10.528 1.00 0.00 C ATOM 0 H VAL A 16 -17.976 -1.002 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.915 -1.258 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.809 1.192 -8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.373 2.455 -10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.439 1.292 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.828 0.924 -10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.708 1.996 -10.705 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -17.275 0.443 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.502 0.496 -10.170 1.00 0.00 H new ATOM 263 N TYR A 17 -13.972 -1.186 -8.519 1.00 0.00 N ATOM 264 CA TYR A 17 -12.865 -1.262 -7.582 1.00 0.00 C ATOM 265 C TYR A 17 -12.007 -0.016 -7.706 1.00 0.00 C ATOM 266 O TYR A 17 -11.533 0.312 -8.792 1.00 0.00 O ATOM 267 CB TYR A 17 -12.004 -2.505 -7.835 1.00 0.00 C ATOM 268 CG TYR A 17 -12.644 -3.816 -7.427 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.981 -4.068 -7.687 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.897 -4.812 -6.807 1.00 0.00 C ATOM 271 CE1 TYR A 17 -14.560 -5.272 -7.341 1.00 0.00 C ATOM 272 CE2 TYR A 17 -12.472 -6.019 -6.454 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.803 -6.242 -6.723 1.00 0.00 C ATOM 274 OH TYR A 17 -14.383 -7.443 -6.388 1.00 0.00 O ATOM 0 H TYR A 17 -13.712 -1.345 -9.493 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.277 -1.332 -6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.760 -2.551 -8.896 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.063 -2.393 -7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.580 -3.310 -8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.851 -4.640 -6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.603 -5.453 -7.554 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.880 -6.782 -5.970 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.716 -8.020 -5.960 1.00 0.00 H new ATOM 284 N LEU A 18 -11.821 0.679 -6.604 1.00 0.00 N ATOM 285 CA LEU A 18 -10.991 1.875 -6.587 1.00 0.00 C ATOM 286 C LEU A 18 -9.789 1.637 -5.687 1.00 0.00 C ATOM 287 O LEU A 18 -9.940 1.311 -4.516 1.00 0.00 O ATOM 288 CB LEU A 18 -11.802 3.080 -6.088 1.00 0.00 C ATOM 289 CG LEU A 18 -11.237 4.466 -6.429 1.00 0.00 C ATOM 290 CD1 LEU A 18 -12.321 5.522 -6.280 1.00 0.00 C ATOM 291 CD2 LEU A 18 -10.058 4.816 -5.528 1.00 0.00 C ATOM 0 H LEU A 18 -12.233 0.439 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.647 2.091 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.809 3.010 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.895 3.005 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.888 4.442 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.910 6.502 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.145 5.295 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.685 5.527 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.678 5.803 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.383 4.819 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.268 4.076 -5.659 1.00 0.00 H new ATOM 303 N THR A 19 -8.602 1.773 -6.243 1.00 0.00 N ATOM 304 CA THR A 19 -7.379 1.613 -5.487 1.00 0.00 C ATOM 305 C THR A 19 -6.535 2.872 -5.608 1.00 0.00 C ATOM 306 O THR A 19 -5.910 3.114 -6.639 1.00 0.00 O ATOM 307 CB THR A 19 -6.583 0.394 -5.988 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.459 -0.742 -6.074 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.427 0.076 -5.051 1.00 0.00 C ATOM 0 H THR A 19 -8.459 1.997 -7.228 1.00 0.00 H new ATOM 0 HA THR A 19 -7.635 1.447 -4.440 1.00 0.00 H new ATOM 0 HB THR A 19 -6.174 0.626 -6.971 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.514 -1.180 -5.199 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.881 -0.789 -5.427 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.756 0.933 -4.997 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.815 -0.145 -4.056 1.00 0.00 H new ATOM 317 N VAL A 20 -6.552 3.693 -4.574 1.00 0.00 N ATOM 318 CA VAL A 20 -5.800 4.932 -4.594 1.00 0.00 C ATOM 319 C VAL A 20 -4.501 4.777 -3.810 1.00 0.00 C ATOM 320 O VAL A 20 -4.497 4.292 -2.673 1.00 0.00 O ATOM 321 CB VAL A 20 -6.640 6.115 -4.054 1.00 0.00 C ATOM 322 CG1 VAL A 20 -6.984 5.943 -2.586 1.00 0.00 C ATOM 323 CG2 VAL A 20 -5.924 7.438 -4.282 1.00 0.00 C ATOM 0 H VAL A 20 -7.075 3.525 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.552 5.159 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.576 6.124 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.574 6.795 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.560 5.027 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.066 5.883 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.534 8.254 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.964 7.426 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.760 7.584 -5.350 1.00 0.00 H new ATOM 333 N ALA A 21 -3.396 5.161 -4.431 1.00 0.00 N ATOM 334 CA ALA A 21 -2.093 5.029 -3.804 1.00 0.00 C ATOM 335 C ALA A 21 -1.887 6.132 -2.777 1.00 0.00 C ATOM 336 O ALA A 21 -1.491 7.247 -3.113 1.00 0.00 O ATOM 337 CB ALA A 21 -0.993 5.053 -4.856 1.00 0.00 C ATOM 0 H ALA A 21 -3.377 5.566 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.048 4.070 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.022 4.953 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.137 4.227 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.031 5.997 -5.400 1.00 0.00 H new ATOM 343 N LEU A 22 -2.177 5.814 -1.529 1.00 0.00 N ATOM 344 CA LEU A 22 -2.120 6.791 -0.459 1.00 0.00 C ATOM 345 C LEU A 22 -1.319 6.226 0.713 1.00 0.00 C ATOM 346 O LEU A 22 -1.696 5.209 1.299 1.00 0.00 O ATOM 347 CB LEU A 22 -3.550 7.149 -0.032 1.00 0.00 C ATOM 348 CG LEU A 22 -3.749 8.560 0.534 1.00 0.00 C ATOM 349 CD1 LEU A 22 -5.230 8.841 0.735 1.00 0.00 C ATOM 350 CD2 LEU A 22 -2.991 8.745 1.835 1.00 0.00 C ATOM 0 H LEU A 22 -2.456 4.879 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.621 7.697 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.206 7.029 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.875 6.429 0.719 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.349 9.273 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.358 9.846 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.748 8.764 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.647 8.115 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.153 9.756 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.348 8.024 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.926 8.589 1.661 1.00 0.00 H new ATOM 362 N PRO A 23 -0.185 6.865 1.045 1.00 0.00 N ATOM 363 CA PRO A 23 0.686 6.427 2.143 1.00 0.00 C ATOM 364 C PRO A 23 0.014 6.524 3.517 1.00 0.00 C ATOM 365 O PRO A 23 -0.156 5.516 4.205 1.00 0.00 O ATOM 366 CB PRO A 23 1.884 7.380 2.062 1.00 0.00 C ATOM 367 CG PRO A 23 1.394 8.565 1.301 1.00 0.00 C ATOM 368 CD PRO A 23 0.350 8.050 0.354 1.00 0.00 C ATOM 0 HA PRO A 23 0.954 5.375 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.227 7.666 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.727 6.909 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.975 9.314 1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.209 9.044 0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.427 8.792 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.779 7.791 -0.614 1.00 0.00 H new ATOM 376 N ASP A 24 -0.375 7.733 3.911 1.00 0.00 N ATOM 377 CA ASP A 24 -0.987 7.948 5.219 1.00 0.00 C ATOM 378 C ASP A 24 -2.280 8.743 5.086 1.00 0.00 C ATOM 379 O ASP A 24 -2.257 9.955 4.848 1.00 0.00 O ATOM 380 CB ASP A 24 -0.019 8.675 6.154 1.00 0.00 C ATOM 381 CG ASP A 24 -0.622 8.944 7.519 1.00 0.00 C ATOM 382 OD1 ASP A 24 -0.606 8.032 8.373 1.00 0.00 O ATOM 383 OD2 ASP A 24 -1.099 10.068 7.750 1.00 0.00 O ATOM 0 H ASP A 24 -0.278 8.576 3.346 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.220 6.973 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.885 8.078 6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.279 9.620 5.700 1.00 0.00 H new ATOM 388 N ALA A 25 -3.401 8.049 5.216 1.00 0.00 N ATOM 389 CA ALA A 25 -4.709 8.665 5.072 1.00 0.00 C ATOM 390 C ALA A 25 -5.350 8.883 6.435 1.00 0.00 C ATOM 391 O ALA A 25 -5.086 8.135 7.377 1.00 0.00 O ATOM 392 CB ALA A 25 -5.608 7.795 4.214 1.00 0.00 C ATOM 0 H ALA A 25 -3.429 7.051 5.423 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.580 9.632 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.585 8.268 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.162 7.673 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.724 6.818 4.683 1.00 0.00 H new ATOM 398 N LYS A 26 -6.184 9.908 6.537 1.00 0.00 N ATOM 399 CA LYS A 26 -6.898 10.201 7.770 1.00 0.00 C ATOM 400 C LYS A 26 -8.067 11.132 7.481 1.00 0.00 C ATOM 401 O LYS A 26 -8.016 11.911 6.528 1.00 0.00 O ATOM 402 CB LYS A 26 -5.955 10.826 8.810 1.00 0.00 C ATOM 403 CG LYS A 26 -5.267 12.097 8.336 1.00 0.00 C ATOM 404 CD LYS A 26 -4.185 12.551 9.306 1.00 0.00 C ATOM 405 CE LYS A 26 -4.757 13.022 10.635 1.00 0.00 C ATOM 406 NZ LYS A 26 -5.606 14.231 10.481 1.00 0.00 N ATOM 0 H LYS A 26 -6.383 10.555 5.774 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.282 9.268 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.523 11.048 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.195 10.094 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.826 11.927 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.007 12.889 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.492 11.729 9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.611 13.360 8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.346 12.220 11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.941 13.238 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.821 14.626 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.099 14.941 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.492 13.974 10.002 1.00 0.00 H new ATOM 420 N ASP A 27 -9.124 11.022 8.286 1.00 0.00 N ATOM 421 CA ASP A 27 -10.293 11.900 8.171 1.00 0.00 C ATOM 422 C ASP A 27 -10.950 11.775 6.802 1.00 0.00 C ATOM 423 O ASP A 27 -11.481 12.748 6.264 1.00 0.00 O ATOM 424 CB ASP A 27 -9.900 13.361 8.423 1.00 0.00 C ATOM 425 CG ASP A 27 -9.341 13.584 9.810 1.00 0.00 C ATOM 426 OD1 ASP A 27 -10.093 13.412 10.791 1.00 0.00 O ATOM 427 OD2 ASP A 27 -8.147 13.927 9.926 1.00 0.00 O ATOM 0 H ASP A 27 -9.196 10.329 9.031 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.011 11.586 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.159 13.666 7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.773 13.998 8.281 1.00 0.00 H new ATOM 432 N ILE A 28 -10.930 10.566 6.259 1.00 0.00 N ATOM 433 CA ILE A 28 -11.470 10.314 4.931 1.00 0.00 C ATOM 434 C ILE A 28 -12.992 10.446 4.920 1.00 0.00 C ATOM 435 O ILE A 28 -13.700 9.626 5.509 1.00 0.00 O ATOM 436 CB ILE A 28 -11.093 8.902 4.424 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.577 8.690 4.477 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.609 8.692 3.006 1.00 0.00 C ATOM 439 CD1 ILE A 28 -9.155 7.286 4.108 1.00 0.00 C ATOM 0 H ILE A 28 -10.544 9.742 6.720 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.033 11.062 4.270 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.563 8.168 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.095 9.396 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.221 8.917 5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.336 7.694 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.694 8.795 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.167 9.436 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.070 7.205 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.609 6.576 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.481 7.063 3.092 1.00 0.00 H new ATOM 451 N SER A 29 -13.487 11.482 4.261 1.00 0.00 N ATOM 452 CA SER A 29 -14.916 11.664 4.093 1.00 0.00 C ATOM 453 C SER A 29 -15.264 11.578 2.611 1.00 0.00 C ATOM 454 O SER A 29 -14.860 12.428 1.813 1.00 0.00 O ATOM 455 CB SER A 29 -15.353 13.011 4.687 1.00 0.00 C ATOM 456 OG SER A 29 -16.772 13.138 4.730 1.00 0.00 O ATOM 0 H SER A 29 -12.916 12.211 3.833 1.00 0.00 H new ATOM 0 HA SER A 29 -15.451 10.877 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.949 13.112 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.934 13.823 4.093 1.00 0.00 H new ATOM 0 HG SER A 29 -17.011 14.007 5.115 1.00 0.00 H new ATOM 462 N VAL A 30 -16.010 10.546 2.248 1.00 0.00 N ATOM 463 CA VAL A 30 -16.329 10.284 0.856 1.00 0.00 C ATOM 464 C VAL A 30 -17.727 10.785 0.523 1.00 0.00 C ATOM 465 O VAL A 30 -18.710 10.308 1.094 1.00 0.00 O ATOM 466 CB VAL A 30 -16.254 8.771 0.545 1.00 0.00 C ATOM 467 CG1 VAL A 30 -16.468 8.508 -0.943 1.00 0.00 C ATOM 468 CG2 VAL A 30 -14.928 8.187 1.019 1.00 0.00 C ATOM 0 H VAL A 30 -16.407 9.873 2.904 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.595 10.813 0.248 1.00 0.00 H new ATOM 0 HB VAL A 30 -17.056 8.273 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -16.410 7.437 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.449 8.878 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.697 9.022 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.897 7.122 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.106 8.691 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.832 8.330 2.095 1.00 0.00 H new ATOM 478 N LYS A 31 -17.822 11.756 -0.374 1.00 0.00 N ATOM 479 CA LYS A 31 -19.115 12.189 -0.867 1.00 0.00 C ATOM 480 C LYS A 31 -19.197 11.946 -2.360 1.00 0.00 C ATOM 481 O LYS A 31 -18.550 12.637 -3.143 1.00 0.00 O ATOM 482 CB LYS A 31 -19.373 13.661 -0.544 1.00 0.00 C ATOM 483 CG LYS A 31 -19.587 13.923 0.935 1.00 0.00 C ATOM 484 CD LYS A 31 -20.108 15.331 1.180 1.00 0.00 C ATOM 485 CE LYS A 31 -19.074 16.389 0.825 1.00 0.00 C ATOM 486 NZ LYS A 31 -19.613 17.762 1.000 1.00 0.00 N ATOM 0 H LYS A 31 -17.025 12.253 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.888 11.607 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.529 14.256 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.250 13.999 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.294 13.197 1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.648 13.783 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.010 15.492 0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.390 15.436 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.192 16.261 1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.753 16.253 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.141 18.408 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.636 17.760 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.440 18.081 1.975 1.00 0.00 H new ATOM 500 N CYS A 32 -19.949 10.921 -2.735 1.00 0.00 N ATOM 501 CA CYS A 32 -20.155 10.572 -4.134 1.00 0.00 C ATOM 502 C CYS A 32 -21.648 10.504 -4.452 1.00 0.00 C ATOM 503 O CYS A 32 -22.428 10.023 -3.631 1.00 0.00 O ATOM 504 CB CYS A 32 -19.487 9.232 -4.444 1.00 0.00 C ATOM 505 SG CYS A 32 -17.688 9.265 -4.293 1.00 0.00 S ATOM 0 H CYS A 32 -20.433 10.308 -2.079 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.703 11.344 -4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -19.885 8.473 -3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -19.752 8.930 -5.457 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.208 8.089 -4.571 1.00 0.00 H new ATOM 511 N GLU A 33 -22.058 11.003 -5.621 1.00 0.00 N ATOM 512 CA GLU A 33 -23.431 10.843 -6.057 1.00 0.00 C ATOM 513 C GLU A 33 -23.495 9.702 -7.057 1.00 0.00 C ATOM 514 O GLU A 33 -22.459 9.293 -7.587 1.00 0.00 O ATOM 515 CB GLU A 33 -23.943 12.141 -6.695 1.00 0.00 C ATOM 516 CG GLU A 33 -24.402 13.183 -5.689 1.00 0.00 C ATOM 517 CD GLU A 33 -25.573 12.710 -4.854 1.00 0.00 C ATOM 518 OE1 GLU A 33 -26.677 12.549 -5.410 1.00 0.00 O ATOM 519 OE2 GLU A 33 -25.389 12.491 -3.639 1.00 0.00 O ATOM 0 H GLU A 33 -21.460 11.514 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.064 10.616 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.151 12.569 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.772 11.904 -7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.571 13.438 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.682 14.094 -6.217 1.00 0.00 H new ATOM 526 N PRO A 34 -24.693 9.168 -7.339 1.00 0.00 N ATOM 527 CA PRO A 34 -24.875 8.139 -8.374 1.00 0.00 C ATOM 528 C PRO A 34 -24.567 8.676 -9.771 1.00 0.00 C ATOM 529 O PRO A 34 -24.804 8.004 -10.772 1.00 0.00 O ATOM 530 CB PRO A 34 -26.359 7.766 -8.259 1.00 0.00 C ATOM 531 CG PRO A 34 -26.999 8.936 -7.598 1.00 0.00 C ATOM 532 CD PRO A 34 -25.963 9.499 -6.666 1.00 0.00 C ATOM 0 HA PRO A 34 -24.203 7.293 -8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -26.796 7.579 -9.240 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -26.494 6.858 -7.671 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -27.308 9.679 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -27.894 8.636 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.081 10.575 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.024 9.048 -5.676 1.00 0.00 H new ATOM 540 N GLN A 35 -24.032 9.891 -9.810 1.00 0.00 N ATOM 541 CA GLN A 35 -23.707 10.579 -11.044 1.00 0.00 C ATOM 542 C GLN A 35 -22.429 11.407 -10.883 1.00 0.00 C ATOM 543 O GLN A 35 -22.048 12.160 -11.778 1.00 0.00 O ATOM 544 CB GLN A 35 -24.870 11.484 -11.448 1.00 0.00 C ATOM 545 CG GLN A 35 -25.198 12.546 -10.409 1.00 0.00 C ATOM 546 CD GLN A 35 -26.487 13.283 -10.713 1.00 0.00 C ATOM 547 OE1 GLN A 35 -26.877 13.431 -11.873 1.00 0.00 O ATOM 548 NE2 GLN A 35 -27.158 13.746 -9.668 1.00 0.00 N ATOM 0 H GLN A 35 -23.811 10.429 -8.972 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.537 9.837 -11.824 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.630 11.972 -12.392 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -25.754 10.871 -11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.275 12.077 -9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.378 13.263 -10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -26.797 13.600 -8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -28.035 14.248 -9.807 1.00 0.00 H new ATOM 557 N GLY A 36 -21.763 11.273 -9.737 1.00 0.00 N ATOM 558 CA GLY A 36 -20.525 11.994 -9.527 1.00 0.00 C ATOM 559 C GLY A 36 -20.532 12.832 -8.265 1.00 0.00 C ATOM 560 O GLY A 36 -21.532 13.452 -7.936 1.00 0.00 O ATOM 0 H GLY A 36 -22.058 10.683 -8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.701 11.282 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.338 12.641 -10.384 1.00 0.00 H new ATOM 564 N LEU A 37 -19.477 12.718 -7.479 1.00 0.00 N ATOM 565 CA LEU A 37 -19.214 13.647 -6.378 1.00 0.00 C ATOM 566 C LEU A 37 -17.742 13.575 -5.962 1.00 0.00 C ATOM 567 O LEU A 37 -16.973 12.803 -6.541 1.00 0.00 O ATOM 568 CB LEU A 37 -20.163 13.484 -5.197 1.00 0.00 C ATOM 569 CG LEU A 37 -21.139 14.643 -4.965 1.00 0.00 C ATOM 570 CD1 LEU A 37 -21.864 14.459 -3.640 1.00 0.00 C ATOM 571 CD2 LEU A 37 -20.414 15.979 -4.989 1.00 0.00 C ATOM 0 H LEU A 37 -18.776 11.984 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.416 14.650 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.740 12.571 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.569 13.347 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 37 -21.871 14.641 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.555 15.288 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.420 13.522 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.137 14.436 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.129 16.784 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.658 15.997 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -19.934 16.115 -5.958 1.00 0.00 H new ATOM 583 N PHE A 38 -17.345 14.377 -4.977 1.00 0.00 N ATOM 584 CA PHE A 38 -15.935 14.485 -4.609 1.00 0.00 C ATOM 585 C PHE A 38 -15.659 13.852 -3.241 1.00 0.00 C ATOM 586 O PHE A 38 -16.436 13.991 -2.289 1.00 0.00 O ATOM 587 CB PHE A 38 -15.474 15.950 -4.624 1.00 0.00 C ATOM 588 CG PHE A 38 -16.101 16.820 -3.565 1.00 0.00 C ATOM 589 CD1 PHE A 38 -17.361 17.367 -3.746 1.00 0.00 C ATOM 590 CD2 PHE A 38 -15.420 17.097 -2.389 1.00 0.00 C ATOM 591 CE1 PHE A 38 -17.929 18.171 -2.776 1.00 0.00 C ATOM 592 CE2 PHE A 38 -15.985 17.898 -1.415 1.00 0.00 C ATOM 593 CZ PHE A 38 -17.240 18.437 -1.609 1.00 0.00 C ATOM 0 H PHE A 38 -17.974 14.958 -4.423 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.362 13.933 -5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.391 15.977 -4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.695 16.376 -5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.906 17.163 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.436 16.681 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.912 18.591 -2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.444 18.102 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.683 19.065 -0.850 1.00 0.00 H new ATOM 603 N SER A 39 -14.546 13.149 -3.151 1.00 0.00 N ATOM 604 CA SER A 39 -14.141 12.509 -1.913 1.00 0.00 C ATOM 605 C SER A 39 -12.902 13.202 -1.367 1.00 0.00 C ATOM 606 O SER A 39 -11.946 13.424 -2.109 1.00 0.00 O ATOM 607 CB SER A 39 -13.853 11.032 -2.173 1.00 0.00 C ATOM 608 OG SER A 39 -13.590 10.334 -0.969 1.00 0.00 O ATOM 0 H SER A 39 -13.901 13.006 -3.928 1.00 0.00 H new ATOM 0 HA SER A 39 -14.942 12.587 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.705 10.578 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.998 10.939 -2.843 1.00 0.00 H new ATOM 0 HG SER A 39 -13.182 9.467 -1.176 1.00 0.00 H new ATOM 614 N PHE A 40 -12.908 13.545 -0.082 1.00 0.00 N ATOM 615 CA PHE A 40 -11.799 14.287 0.491 1.00 0.00 C ATOM 616 C PHE A 40 -11.221 13.602 1.726 1.00 0.00 C ATOM 617 O PHE A 40 -11.946 13.148 2.612 1.00 0.00 O ATOM 618 CB PHE A 40 -12.205 15.736 0.809 1.00 0.00 C ATOM 619 CG PHE A 40 -13.382 15.888 1.737 1.00 0.00 C ATOM 620 CD1 PHE A 40 -14.676 15.776 1.256 1.00 0.00 C ATOM 621 CD2 PHE A 40 -13.191 16.169 3.080 1.00 0.00 C ATOM 622 CE1 PHE A 40 -15.760 15.935 2.098 1.00 0.00 C ATOM 623 CE2 PHE A 40 -14.270 16.330 3.928 1.00 0.00 C ATOM 624 CZ PHE A 40 -15.557 16.214 3.436 1.00 0.00 C ATOM 0 H PHE A 40 -13.659 13.323 0.571 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.012 14.309 -0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -11.349 16.247 1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -12.434 16.245 -0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -14.840 15.562 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -12.188 16.263 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -16.764 15.841 1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.108 16.546 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 40 -16.402 16.341 4.096 1.00 0.00 H new ATOM 634 N SER A 41 -9.903 13.515 1.747 1.00 0.00 N ATOM 635 CA SER A 41 -9.161 12.935 2.851 1.00 0.00 C ATOM 636 C SER A 41 -8.043 13.886 3.263 1.00 0.00 C ATOM 637 O SER A 41 -7.684 14.794 2.512 1.00 0.00 O ATOM 638 CB SER A 41 -8.575 11.580 2.431 1.00 0.00 C ATOM 639 OG SER A 41 -7.778 11.015 3.461 1.00 0.00 O ATOM 0 H SER A 41 -9.310 13.850 0.987 1.00 0.00 H new ATOM 0 HA SER A 41 -9.830 12.779 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.384 10.895 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.973 11.706 1.531 1.00 0.00 H new ATOM 0 HG SER A 41 -7.332 10.210 3.125 1.00 0.00 H new ATOM 645 N ALA A 42 -7.496 13.696 4.447 1.00 0.00 N ATOM 646 CA ALA A 42 -6.346 14.465 4.873 1.00 0.00 C ATOM 647 C ALA A 42 -5.099 13.594 4.803 1.00 0.00 C ATOM 648 O ALA A 42 -5.145 12.402 5.121 1.00 0.00 O ATOM 649 CB ALA A 42 -6.559 14.998 6.280 1.00 0.00 C ATOM 0 H ALA A 42 -7.830 13.016 5.130 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.215 15.319 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.686 15.574 6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.441 15.638 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.703 14.164 6.967 1.00 0.00 H new ATOM 655 N LEU A 43 -4.002 14.173 4.342 1.00 0.00 N ATOM 656 CA LEU A 43 -2.746 13.451 4.248 1.00 0.00 C ATOM 657 C LEU A 43 -1.870 13.780 5.442 1.00 0.00 C ATOM 658 O LEU A 43 -1.323 14.885 5.539 1.00 0.00 O ATOM 659 CB LEU A 43 -2.004 13.810 2.968 1.00 0.00 C ATOM 660 CG LEU A 43 -2.827 13.709 1.684 1.00 0.00 C ATOM 661 CD1 LEU A 43 -2.017 14.190 0.489 1.00 0.00 C ATOM 662 CD2 LEU A 43 -3.289 12.279 1.464 1.00 0.00 C ATOM 0 H LEU A 43 -3.957 15.142 4.027 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.970 12.384 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.628 14.829 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.136 13.157 2.876 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.704 14.349 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.620 14.110 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.727 15.230 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.123 13.575 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.874 12.223 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.421 11.625 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.904 11.962 2.306 1.00 0.00 H new ATOM 674 N GLY A 44 -1.717 12.810 6.322 1.00 0.00 N ATOM 675 CA GLY A 44 -1.030 13.041 7.579 1.00 0.00 C ATOM 676 C GLY A 44 0.472 13.115 7.426 1.00 0.00 C ATOM 677 O GLY A 44 1.121 13.957 8.040 1.00 0.00 O ATOM 0 H GLY A 44 -2.057 11.857 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.391 13.971 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.280 12.241 8.276 1.00 0.00 H new ATOM 681 N ALA A 45 1.027 12.238 6.604 1.00 0.00 N ATOM 682 CA ALA A 45 2.471 12.204 6.386 1.00 0.00 C ATOM 683 C ALA A 45 2.911 13.285 5.404 1.00 0.00 C ATOM 684 O ALA A 45 4.099 13.446 5.126 1.00 0.00 O ATOM 685 CB ALA A 45 2.904 10.832 5.889 1.00 0.00 C ATOM 0 H ALA A 45 0.503 11.540 6.076 1.00 0.00 H new ATOM 0 HA ALA A 45 2.955 12.401 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.983 10.826 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.640 10.077 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.399 10.610 4.949 1.00 0.00 H new ATOM 691 N GLN A 46 1.945 14.013 4.867 1.00 0.00 N ATOM 692 CA GLN A 46 2.226 15.079 3.918 1.00 0.00 C ATOM 693 C GLN A 46 1.929 16.444 4.528 1.00 0.00 C ATOM 694 O GLN A 46 2.527 17.450 4.141 1.00 0.00 O ATOM 695 CB GLN A 46 1.398 14.880 2.646 1.00 0.00 C ATOM 696 CG GLN A 46 1.758 13.621 1.876 1.00 0.00 C ATOM 697 CD GLN A 46 3.117 13.713 1.212 1.00 0.00 C ATOM 698 OE1 GLN A 46 3.226 14.116 0.056 1.00 0.00 O ATOM 699 NE2 GLN A 46 4.160 13.351 1.939 1.00 0.00 N ATOM 0 H GLN A 46 0.954 13.884 5.073 1.00 0.00 H new ATOM 0 HA GLN A 46 3.286 15.042 3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.342 14.843 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.533 15.744 1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.746 12.768 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.999 13.434 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.026 13.022 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.099 13.401 1.544 1.00 0.00 H new ATOM 708 N GLY A 47 1.007 16.472 5.490 1.00 0.00 N ATOM 709 CA GLY A 47 0.530 17.735 6.029 1.00 0.00 C ATOM 710 C GLY A 47 -0.331 18.461 5.017 1.00 0.00 C ATOM 711 O GLY A 47 -0.523 19.673 5.090 1.00 0.00 O ATOM 0 H GLY A 47 0.583 15.642 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.044 17.554 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.378 18.361 6.307 1.00 0.00 H new ATOM 715 N GLU A 48 -0.834 17.699 4.059 1.00 0.00 N ATOM 716 CA GLU A 48 -1.571 18.251 2.939 1.00 0.00 C ATOM 717 C GLU A 48 -2.987 17.686 2.901 1.00 0.00 C ATOM 718 O GLU A 48 -3.281 16.679 3.539 1.00 0.00 O ATOM 719 CB GLU A 48 -0.825 17.958 1.630 1.00 0.00 C ATOM 720 CG GLU A 48 -1.457 18.587 0.397 1.00 0.00 C ATOM 721 CD GLU A 48 -1.685 20.079 0.542 1.00 0.00 C ATOM 722 OE1 GLU A 48 -0.724 20.854 0.364 1.00 0.00 O ATOM 723 OE2 GLU A 48 -2.829 20.482 0.830 1.00 0.00 O ATOM 0 H GLU A 48 -0.742 16.683 4.038 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.647 19.332 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.200 18.316 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.774 16.879 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.816 18.405 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.410 18.098 0.194 1.00 0.00 H new ATOM 730 N ARG A 49 -3.862 18.358 2.176 1.00 0.00 N ATOM 731 CA ARG A 49 -5.223 17.898 1.984 1.00 0.00 C ATOM 732 C ARG A 49 -5.323 17.161 0.655 1.00 0.00 C ATOM 733 O ARG A 49 -4.668 17.531 -0.319 1.00 0.00 O ATOM 734 CB ARG A 49 -6.210 19.078 1.981 1.00 0.00 C ATOM 735 CG ARG A 49 -6.373 19.801 3.316 1.00 0.00 C ATOM 736 CD ARG A 49 -5.116 20.551 3.747 1.00 0.00 C ATOM 737 NE ARG A 49 -4.549 21.366 2.669 1.00 0.00 N ATOM 738 CZ ARG A 49 -4.551 22.698 2.647 1.00 0.00 C ATOM 739 NH1 ARG A 49 -5.211 23.389 3.567 1.00 0.00 N ATOM 740 NH2 ARG A 49 -3.910 23.333 1.678 1.00 0.00 N ATOM 0 H ARG A 49 -3.649 19.237 1.705 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.480 17.232 2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.883 19.801 1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.187 18.712 1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.202 20.505 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.638 19.076 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.353 21.192 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.369 19.834 4.087 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.123 20.879 1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.724 22.901 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.206 24.409 3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.421 22.803 0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.906 24.353 1.652 1.00 0.00 H new ATOM 754 N PHE A 50 -6.140 16.131 0.617 1.00 0.00 N ATOM 755 CA PHE A 50 -6.336 15.357 -0.595 1.00 0.00 C ATOM 756 C PHE A 50 -7.814 15.261 -0.918 1.00 0.00 C ATOM 757 O PHE A 50 -8.639 15.088 -0.028 1.00 0.00 O ATOM 758 CB PHE A 50 -5.725 13.960 -0.417 1.00 0.00 C ATOM 759 CG PHE A 50 -6.292 12.899 -1.326 1.00 0.00 C ATOM 760 CD1 PHE A 50 -6.180 13.003 -2.702 1.00 0.00 C ATOM 761 CD2 PHE A 50 -6.933 11.790 -0.794 1.00 0.00 C ATOM 762 CE1 PHE A 50 -6.693 12.025 -3.531 1.00 0.00 C ATOM 763 CE2 PHE A 50 -7.450 10.809 -1.620 1.00 0.00 C ATOM 764 CZ PHE A 50 -7.330 10.929 -2.989 1.00 0.00 C ATOM 0 H PHE A 50 -6.684 15.806 1.416 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.837 15.853 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.650 14.025 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.867 13.646 0.617 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.685 13.861 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.029 11.692 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.595 12.119 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.947 9.950 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.735 10.165 -3.636 1.00 0.00 H new ATOM 774 N GLU A 51 -8.152 15.386 -2.187 1.00 0.00 N ATOM 775 CA GLU A 51 -9.517 15.160 -2.621 1.00 0.00 C ATOM 776 C GLU A 51 -9.559 14.866 -4.107 1.00 0.00 C ATOM 777 O GLU A 51 -8.682 15.288 -4.860 1.00 0.00 O ATOM 778 CB GLU A 51 -10.436 16.340 -2.251 1.00 0.00 C ATOM 779 CG GLU A 51 -9.975 17.706 -2.741 1.00 0.00 C ATOM 780 CD GLU A 51 -10.341 17.985 -4.187 1.00 0.00 C ATOM 781 OE1 GLU A 51 -11.547 18.117 -4.483 1.00 0.00 O ATOM 782 OE2 GLU A 51 -9.423 18.107 -5.022 1.00 0.00 O ATOM 0 H GLU A 51 -7.504 15.641 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.898 14.287 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.430 16.145 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.534 16.376 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.414 18.477 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.893 17.778 -2.628 1.00 0.00 H new ATOM 789 N PHE A 52 -10.555 14.106 -4.513 1.00 0.00 N ATOM 790 CA PHE A 52 -10.744 13.791 -5.911 1.00 0.00 C ATOM 791 C PHE A 52 -12.227 13.769 -6.235 1.00 0.00 C ATOM 792 O PHE A 52 -13.027 13.167 -5.515 1.00 0.00 O ATOM 793 CB PHE A 52 -10.082 12.452 -6.276 1.00 0.00 C ATOM 794 CG PHE A 52 -10.670 11.246 -5.589 1.00 0.00 C ATOM 795 CD1 PHE A 52 -10.279 10.899 -4.308 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.605 10.455 -6.236 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.808 9.785 -3.683 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.139 9.342 -5.615 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.740 9.006 -4.340 1.00 0.00 C ATOM 0 H PHE A 52 -11.249 13.694 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.262 14.564 -6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.155 12.309 -7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -9.021 12.509 -6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.551 11.506 -3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.920 10.711 -7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.493 9.525 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.869 8.735 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.155 8.135 -3.855 1.00 0.00 H new ATOM 809 N SER A 53 -12.588 14.450 -7.300 1.00 0.00 N ATOM 810 CA SER A 53 -13.964 14.495 -7.742 1.00 0.00 C ATOM 811 C SER A 53 -14.171 13.548 -8.917 1.00 0.00 C ATOM 812 O SER A 53 -13.563 13.709 -9.974 1.00 0.00 O ATOM 813 CB SER A 53 -14.339 15.927 -8.125 1.00 0.00 C ATOM 814 OG SER A 53 -13.271 16.562 -8.818 1.00 0.00 O ATOM 0 H SER A 53 -11.941 14.984 -7.880 1.00 0.00 H new ATOM 0 HA SER A 53 -14.613 14.172 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.231 15.919 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.585 16.495 -7.228 1.00 0.00 H new ATOM 0 HG SER A 53 -12.887 15.938 -9.469 1.00 0.00 H new ATOM 820 N LEU A 54 -15.005 12.543 -8.715 1.00 0.00 N ATOM 821 CA LEU A 54 -15.300 11.589 -9.767 1.00 0.00 C ATOM 822 C LEU A 54 -16.636 11.905 -10.404 1.00 0.00 C ATOM 823 O LEU A 54 -17.688 11.692 -9.798 1.00 0.00 O ATOM 824 CB LEU A 54 -15.303 10.153 -9.233 1.00 0.00 C ATOM 825 CG LEU A 54 -13.942 9.613 -8.792 1.00 0.00 C ATOM 826 CD1 LEU A 54 -14.074 8.168 -8.349 1.00 0.00 C ATOM 827 CD2 LEU A 54 -12.924 9.736 -9.921 1.00 0.00 C ATOM 0 H LEU A 54 -15.488 12.367 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.515 11.671 -10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.987 10.100 -8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.702 9.497 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.588 10.206 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.099 7.793 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.771 8.106 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.446 7.566 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.962 9.347 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.267 9.165 -10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.814 10.784 -10.199 1.00 0.00 H new ATOM 839 N GLU A 55 -16.586 12.456 -11.609 1.00 0.00 N ATOM 840 CA GLU A 55 -17.782 12.663 -12.403 1.00 0.00 C ATOM 841 C GLU A 55 -18.200 11.336 -13.012 1.00 0.00 C ATOM 842 O GLU A 55 -17.450 10.751 -13.792 1.00 0.00 O ATOM 843 CB GLU A 55 -17.528 13.670 -13.518 1.00 0.00 C ATOM 844 CG GLU A 55 -16.958 14.990 -13.045 1.00 0.00 C ATOM 845 CD GLU A 55 -16.790 15.966 -14.192 1.00 0.00 C ATOM 846 OE1 GLU A 55 -15.891 15.759 -15.033 1.00 0.00 O ATOM 847 OE2 GLU A 55 -17.581 16.928 -14.278 1.00 0.00 O ATOM 0 H GLU A 55 -15.724 12.768 -12.057 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.570 13.054 -11.759 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.842 13.229 -14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.465 13.859 -14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.616 15.422 -12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.994 14.820 -12.566 1.00 0.00 H new ATOM 854 N LEU A 56 -19.382 10.870 -12.669 1.00 0.00 N ATOM 855 CA LEU A 56 -19.812 9.541 -13.061 1.00 0.00 C ATOM 856 C LEU A 56 -20.958 9.623 -14.061 1.00 0.00 C ATOM 857 O LEU A 56 -22.066 10.026 -13.719 1.00 0.00 O ATOM 858 CB LEU A 56 -20.211 8.751 -11.814 1.00 0.00 C ATOM 859 CG LEU A 56 -19.102 8.645 -10.760 1.00 0.00 C ATOM 860 CD1 LEU A 56 -19.656 8.159 -9.434 1.00 0.00 C ATOM 861 CD2 LEU A 56 -17.993 7.721 -11.242 1.00 0.00 C ATOM 0 H LEU A 56 -20.065 11.391 -12.119 1.00 0.00 H new ATOM 0 HA LEU A 56 -18.990 9.021 -13.553 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.084 9.222 -11.362 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -20.510 7.747 -12.113 1.00 0.00 H new ATOM 0 HG LEU A 56 -18.685 9.641 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.849 8.093 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -20.411 8.859 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.107 7.175 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.215 7.658 -10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -18.402 6.727 -11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -17.567 8.115 -12.165 1.00 0.00 H new ATOM 873 N TYR A 57 -20.678 9.258 -15.308 1.00 0.00 N ATOM 874 CA TYR A 57 -21.665 9.367 -16.378 1.00 0.00 C ATOM 875 C TYR A 57 -22.670 8.216 -16.318 1.00 0.00 C ATOM 876 O TYR A 57 -23.706 8.245 -16.986 1.00 0.00 O ATOM 877 CB TYR A 57 -20.980 9.436 -17.755 1.00 0.00 C ATOM 878 CG TYR A 57 -20.628 8.099 -18.379 1.00 0.00 C ATOM 879 CD1 TYR A 57 -19.607 7.305 -17.871 1.00 0.00 C ATOM 880 CD2 TYR A 57 -21.321 7.638 -19.490 1.00 0.00 C ATOM 881 CE1 TYR A 57 -19.291 6.092 -18.453 1.00 0.00 C ATOM 882 CE2 TYR A 57 -21.009 6.425 -20.077 1.00 0.00 C ATOM 883 CZ TYR A 57 -19.993 5.656 -19.553 1.00 0.00 C ATOM 884 OH TYR A 57 -19.678 4.445 -20.129 1.00 0.00 O ATOM 0 H TYR A 57 -19.776 8.884 -15.603 1.00 0.00 H new ATOM 0 HA TYR A 57 -22.216 10.296 -16.233 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -21.634 9.975 -18.440 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.067 10.023 -17.658 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.052 7.641 -17.008 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -22.118 8.237 -19.904 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -18.494 5.487 -18.045 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.559 6.083 -20.941 1.00 0.00 H new ATOM 0 HH TYR A 57 -20.268 4.284 -20.895 1.00 0.00 H new ATOM 894 N GLY A 58 -22.347 7.202 -15.530 1.00 0.00 N ATOM 895 CA GLY A 58 -23.218 6.051 -15.407 1.00 0.00 C ATOM 896 C GLY A 58 -24.010 6.058 -14.115 1.00 0.00 C ATOM 897 O GLY A 58 -23.887 6.980 -13.312 1.00 0.00 O ATOM 0 H GLY A 58 -21.495 7.155 -14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -23.907 6.029 -16.251 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -22.621 5.140 -15.459 1.00 0.00 H new ATOM 901 N LYS A 59 -24.825 5.028 -13.918 1.00 0.00 N ATOM 902 CA LYS A 59 -25.629 4.908 -12.707 1.00 0.00 C ATOM 903 C LYS A 59 -24.872 4.141 -11.633 1.00 0.00 C ATOM 904 O LYS A 59 -24.570 2.954 -11.799 1.00 0.00 O ATOM 905 CB LYS A 59 -26.950 4.198 -12.994 1.00 0.00 C ATOM 906 CG LYS A 59 -27.862 4.930 -13.962 1.00 0.00 C ATOM 907 CD LYS A 59 -29.218 4.250 -14.046 1.00 0.00 C ATOM 908 CE LYS A 59 -29.967 4.340 -12.723 1.00 0.00 C ATOM 909 NZ LYS A 59 -31.149 3.443 -12.688 1.00 0.00 N ATOM 0 H LYS A 59 -24.947 4.263 -14.582 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.838 5.917 -12.352 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.736 3.208 -13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.481 4.053 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -27.988 5.963 -13.639 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.403 4.959 -14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -29.811 4.714 -14.834 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.086 3.203 -14.321 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -29.292 4.082 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.288 5.368 -12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -31.967 3.962 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -31.363 3.113 -13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -30.946 2.625 -12.079 1.00 0.00 H new ATOM 923 N ILE A 60 -24.574 4.811 -10.533 1.00 0.00 N ATOM 924 CA ILE A 60 -23.827 4.193 -9.448 1.00 0.00 C ATOM 925 C ILE A 60 -24.748 3.881 -8.275 1.00 0.00 C ATOM 926 O ILE A 60 -25.746 4.567 -8.059 1.00 0.00 O ATOM 927 CB ILE A 60 -22.690 5.106 -8.937 1.00 0.00 C ATOM 928 CG1 ILE A 60 -22.063 5.915 -10.081 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.621 4.280 -8.231 1.00 0.00 C ATOM 930 CD1 ILE A 60 -21.465 5.067 -11.186 1.00 0.00 C ATOM 0 H ILE A 60 -24.837 5.782 -10.366 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.395 3.276 -9.849 1.00 0.00 H new ATOM 0 HB ILE A 60 -23.124 5.809 -8.226 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.824 6.567 -10.510 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.285 6.560 -9.672 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.827 4.938 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.065 3.759 -7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.205 3.552 -8.927 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.043 5.715 -11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.679 4.434 -10.774 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -22.242 4.441 -11.625 1.00 0.00 H new ATOM 942 N MET A 61 -24.409 2.845 -7.525 1.00 0.00 N ATOM 943 CA MET A 61 -25.122 2.521 -6.300 1.00 0.00 C ATOM 944 C MET A 61 -24.307 2.961 -5.098 1.00 0.00 C ATOM 945 O MET A 61 -23.478 2.212 -4.582 1.00 0.00 O ATOM 946 CB MET A 61 -25.421 1.025 -6.202 1.00 0.00 C ATOM 947 CG MET A 61 -26.605 0.580 -7.039 1.00 0.00 C ATOM 948 SD MET A 61 -28.158 1.302 -6.479 1.00 0.00 S ATOM 949 CE MET A 61 -28.279 0.603 -4.833 1.00 0.00 C ATOM 0 H MET A 61 -23.641 2.211 -7.745 1.00 0.00 H new ATOM 0 HA MET A 61 -26.073 3.053 -6.316 1.00 0.00 H new ATOM 0 HB2 MET A 61 -24.538 0.467 -6.513 1.00 0.00 H new ATOM 0 HB3 MET A 61 -25.609 0.769 -5.159 1.00 0.00 H new ATOM 0 HG2 MET A 61 -26.434 0.856 -8.080 1.00 0.00 H new ATOM 0 HG3 MET A 61 -26.681 -0.507 -7.006 1.00 0.00 H new ATOM 0 HE1 MET A 61 -29.299 0.715 -4.464 1.00 0.00 H new ATOM 0 HE2 MET A 61 -28.020 -0.455 -4.867 1.00 0.00 H new ATOM 0 HE3 MET A 61 -27.592 1.123 -4.165 1.00 0.00 H new ATOM 959 N THR A 62 -24.547 4.186 -4.665 1.00 0.00 N ATOM 960 CA THR A 62 -23.816 4.784 -3.560 1.00 0.00 C ATOM 961 C THR A 62 -24.211 4.167 -2.220 1.00 0.00 C ATOM 962 O THR A 62 -23.595 4.447 -1.192 1.00 0.00 O ATOM 963 CB THR A 62 -24.072 6.296 -3.538 1.00 0.00 C ATOM 964 OG1 THR A 62 -25.406 6.554 -4.000 1.00 0.00 O ATOM 965 CG2 THR A 62 -23.069 7.022 -4.421 1.00 0.00 C ATOM 0 H THR A 62 -25.256 4.797 -5.071 1.00 0.00 H new ATOM 0 HA THR A 62 -22.754 4.589 -3.710 1.00 0.00 H new ATOM 0 HB THR A 62 -23.957 6.662 -2.518 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.576 7.519 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.267 8.093 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.059 6.830 -4.058 1.00 0.00 H new ATOM 0 HG23 THR A 62 -23.161 6.664 -5.446 1.00 0.00 H new ATOM 973 N GLU A 63 -25.241 3.326 -2.251 1.00 0.00 N ATOM 974 CA GLU A 63 -25.732 2.647 -1.060 1.00 0.00 C ATOM 975 C GLU A 63 -24.670 1.705 -0.492 1.00 0.00 C ATOM 976 O GLU A 63 -24.269 1.834 0.667 1.00 0.00 O ATOM 977 CB GLU A 63 -26.998 1.855 -1.403 1.00 0.00 C ATOM 978 CG GLU A 63 -27.665 1.219 -0.196 1.00 0.00 C ATOM 979 CD GLU A 63 -28.146 2.243 0.807 1.00 0.00 C ATOM 980 OE1 GLU A 63 -29.169 2.902 0.539 1.00 0.00 O ATOM 981 OE2 GLU A 63 -27.509 2.384 1.870 1.00 0.00 O ATOM 0 H GLU A 63 -25.756 3.098 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 63 -25.964 3.398 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.710 2.519 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -26.745 1.075 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -28.510 0.616 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -26.961 0.543 0.289 1.00 0.00 H new ATOM 988 N TYR A 64 -24.214 0.770 -1.313 1.00 0.00 N ATOM 989 CA TYR A 64 -23.235 -0.213 -0.881 1.00 0.00 C ATOM 990 C TYR A 64 -21.829 0.283 -1.168 1.00 0.00 C ATOM 991 O TYR A 64 -21.463 0.512 -2.323 1.00 0.00 O ATOM 992 CB TYR A 64 -23.486 -1.559 -1.563 1.00 0.00 C ATOM 993 CG TYR A 64 -24.761 -2.231 -1.110 1.00 0.00 C ATOM 994 CD1 TYR A 64 -25.984 -1.902 -1.679 1.00 0.00 C ATOM 995 CD2 TYR A 64 -24.744 -3.183 -0.100 1.00 0.00 C ATOM 996 CE1 TYR A 64 -27.152 -2.506 -1.257 1.00 0.00 C ATOM 997 CE2 TYR A 64 -25.908 -3.790 0.329 1.00 0.00 C ATOM 998 CZ TYR A 64 -27.110 -3.449 -0.252 1.00 0.00 C ATOM 999 OH TYR A 64 -28.275 -4.044 0.180 1.00 0.00 O ATOM 0 H TYR A 64 -24.508 0.673 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 64 -23.337 -0.355 0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.526 -1.410 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -22.644 -2.222 -1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -26.023 -1.162 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -23.804 -3.454 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -28.095 -2.241 -1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -25.876 -4.529 1.116 1.00 0.00 H new ATOM 0 HH TYR A 64 -28.070 -4.686 0.892 1.00 0.00 H new ATOM 1009 N ARG A 65 -21.054 0.451 -0.107 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.721 1.022 -0.208 1.00 0.00 C ATOM 1011 C ARG A 65 -18.862 0.585 0.973 1.00 0.00 C ATOM 1012 O ARG A 65 -19.357 0.455 2.095 1.00 0.00 O ATOM 1013 CB ARG A 65 -19.819 2.549 -0.240 1.00 0.00 C ATOM 1014 CG ARG A 65 -20.473 3.136 1.001 1.00 0.00 C ATOM 1015 CD ARG A 65 -20.662 4.636 0.882 1.00 0.00 C ATOM 1016 NE ARG A 65 -21.242 5.207 2.098 1.00 0.00 N ATOM 1017 CZ ARG A 65 -22.374 5.909 2.126 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -23.089 6.075 1.022 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -22.801 6.427 3.269 1.00 0.00 N ATOM 0 H ARG A 65 -21.330 0.197 0.842 1.00 0.00 H new ATOM 0 HA ARG A 65 -19.255 0.667 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -18.819 2.968 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -20.388 2.851 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -21.440 2.659 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -19.859 2.915 1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -19.701 5.109 0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -21.309 4.855 0.033 1.00 0.00 H new ATOM 0 HE ARG A 65 -20.749 5.058 2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -22.773 5.664 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -23.955 6.614 1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -22.263 6.288 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -23.667 6.965 3.293 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.584 0.340 0.714 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.626 0.004 1.767 1.00 0.00 C ATOM 1035 C LYS A 66 -15.203 0.241 1.283 1.00 0.00 C ATOM 1036 O LYS A 66 -14.849 -0.153 0.171 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.785 -1.455 2.219 1.00 0.00 C ATOM 1038 CG LYS A 66 -17.495 -1.607 3.555 1.00 0.00 C ATOM 1039 CD LYS A 66 -16.646 -1.071 4.701 1.00 0.00 C ATOM 1040 CE LYS A 66 -17.473 -0.854 5.960 1.00 0.00 C ATOM 1041 NZ LYS A 66 -17.975 -2.131 6.535 1.00 0.00 N ATOM 0 H LYS A 66 -17.182 0.367 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.829 0.652 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.340 -2.003 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.799 -1.914 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.446 -1.075 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.723 -2.658 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.837 -1.770 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.184 -0.130 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.868 -0.336 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.318 -0.205 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.532 -1.931 7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.575 -2.614 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.170 -2.741 6.781 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.398 0.902 2.111 1.00 0.00 N ATOM 1056 CA ASN A 67 -12.996 1.127 1.783 1.00 0.00 C ATOM 1057 C ASN A 67 -12.090 0.499 2.834 1.00 0.00 C ATOM 1058 O ASN A 67 -12.289 0.675 4.036 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.685 2.627 1.643 1.00 0.00 C ATOM 1060 CG ASN A 67 -12.561 3.363 2.968 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -11.471 3.485 3.524 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -13.675 3.859 3.483 1.00 0.00 N ATOM 0 H ASN A 67 -14.692 1.288 3.008 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.804 0.651 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.755 2.744 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.471 3.096 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.647 4.362 4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.561 3.738 2.993 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.130 -0.278 2.373 1.00 0.00 N ATOM 1070 CA VAL A 68 -10.120 -0.840 3.246 1.00 0.00 C ATOM 1071 C VAL A 68 -8.737 -0.307 2.860 1.00 0.00 C ATOM 1072 O VAL A 68 -8.316 -0.422 1.707 1.00 0.00 O ATOM 1073 CB VAL A 68 -10.141 -2.387 3.228 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -9.893 -2.939 1.831 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -9.132 -2.946 4.221 1.00 0.00 C ATOM 0 H VAL A 68 -11.029 -0.536 1.391 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.346 -0.529 4.266 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.138 -2.708 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.916 -4.028 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.668 -2.578 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.918 -2.606 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.161 -4.035 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.132 -2.603 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.380 -2.601 5.225 1.00 0.00 H new ATOM 1085 N GLY A 69 -8.051 0.312 3.809 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.721 0.813 3.539 1.00 0.00 C ATOM 1087 C GLY A 69 -5.654 -0.060 4.149 1.00 0.00 C ATOM 1088 O GLY A 69 -5.281 0.116 5.306 1.00 0.00 O ATOM 0 H GLY A 69 -8.390 0.476 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.568 0.873 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.629 1.826 3.931 1.00 0.00 H new ATOM 1092 N LEU A 70 -5.163 -1.004 3.365 1.00 0.00 N ATOM 1093 CA LEU A 70 -4.130 -1.916 3.834 1.00 0.00 C ATOM 1094 C LEU A 70 -2.762 -1.356 3.457 1.00 0.00 C ATOM 1095 O LEU A 70 -2.056 -0.802 4.294 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.340 -3.313 3.230 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.945 -4.492 4.129 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.466 -4.447 4.478 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.791 -4.498 5.392 1.00 0.00 C ATOM 0 H LEU A 70 -5.461 -1.160 2.402 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.187 -2.011 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.392 -3.419 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.768 -3.378 2.304 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.130 -5.414 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.217 -5.295 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.875 -4.494 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.245 -3.519 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.500 -5.340 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.637 -3.567 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.844 -4.592 5.124 1.00 0.00 H new ATOM 1111 N ARG A 71 -2.407 -1.485 2.188 1.00 0.00 N ATOM 1112 CA ARG A 71 -1.200 -0.865 1.662 1.00 0.00 C ATOM 1113 C ARG A 71 -1.585 0.299 0.769 1.00 0.00 C ATOM 1114 O ARG A 71 -0.734 1.006 0.232 1.00 0.00 O ATOM 1115 CB ARG A 71 -0.376 -1.885 0.878 1.00 0.00 C ATOM 1116 CG ARG A 71 0.467 -2.796 1.753 1.00 0.00 C ATOM 1117 CD ARG A 71 1.539 -2.006 2.485 1.00 0.00 C ATOM 1118 NE ARG A 71 2.368 -1.238 1.554 1.00 0.00 N ATOM 1119 CZ ARG A 71 3.237 -0.297 1.918 1.00 0.00 C ATOM 1120 NH1 ARG A 71 3.430 -0.018 3.203 1.00 0.00 N ATOM 1121 NH2 ARG A 71 3.916 0.363 0.990 1.00 0.00 N ATOM 0 H ARG A 71 -2.941 -2.016 1.500 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.592 -0.500 2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.049 -2.496 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.278 -1.355 0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.171 -3.306 2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.933 -3.567 1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.070 -1.330 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.168 -2.688 3.057 1.00 0.00 H new ATOM 0 HE ARG A 71 2.273 -1.437 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.911 -0.526 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.098 0.704 3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.771 0.149 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.583 1.085 1.263 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.889 0.498 0.663 1.00 0.00 N ATOM 1136 CA ASN A 72 -3.493 1.460 -0.247 1.00 0.00 C ATOM 1137 C ASN A 72 -4.954 1.564 0.138 1.00 0.00 C ATOM 1138 O ASN A 72 -5.458 0.686 0.845 1.00 0.00 O ATOM 1139 CB ASN A 72 -3.373 0.994 -1.707 1.00 0.00 C ATOM 1140 CG ASN A 72 -2.450 1.849 -2.554 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -2.667 2.006 -3.753 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -1.399 2.382 -1.954 1.00 0.00 N ATOM 0 H ASN A 72 -3.573 -0.016 1.219 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.986 2.422 -0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.013 -0.035 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.365 0.991 -2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.737 2.944 -2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.250 2.231 -0.956 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.636 2.601 -0.309 1.00 0.00 N ATOM 1150 CA ILE A 73 -7.037 2.764 0.031 1.00 0.00 C ATOM 1151 C ILE A 73 -7.899 2.153 -1.061 1.00 0.00 C ATOM 1152 O ILE A 73 -8.042 2.722 -2.146 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.417 4.248 0.231 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -6.498 4.912 1.262 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -8.876 4.375 0.656 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -6.573 4.291 2.642 1.00 0.00 C ATOM 0 H ILE A 73 -5.249 3.336 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.212 2.252 0.977 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.288 4.762 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.469 4.858 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.755 5.969 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.125 5.427 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.518 3.947 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.029 3.842 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.894 4.816 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.592 4.369 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.287 3.241 2.584 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.432 0.971 -0.789 1.00 0.00 N ATOM 1169 CA ILE A 74 -9.279 0.285 -1.746 1.00 0.00 C ATOM 1170 C ILE A 74 -10.746 0.492 -1.391 1.00 0.00 C ATOM 1171 O ILE A 74 -11.202 0.082 -0.327 1.00 0.00 O ATOM 1172 CB ILE A 74 -8.968 -1.228 -1.795 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.476 -1.453 -2.067 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -9.816 -1.908 -2.864 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -7.064 -2.912 -2.058 1.00 0.00 C ATOM 0 H ILE A 74 -8.291 0.469 0.088 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.076 0.708 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.214 -1.669 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.224 -1.020 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.895 -0.917 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.586 -2.973 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.872 -1.769 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.596 -1.468 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.995 -2.990 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.283 -3.346 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.617 -3.451 -2.827 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.472 1.112 -2.297 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.875 1.406 -2.093 1.00 0.00 C ATOM 1189 C PHE A 75 -13.700 0.607 -3.092 1.00 0.00 C ATOM 1190 O PHE A 75 -13.385 0.579 -4.280 1.00 0.00 O ATOM 1191 CB PHE A 75 -13.123 2.909 -2.280 1.00 0.00 C ATOM 1192 CG PHE A 75 -14.406 3.414 -1.673 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -15.634 3.079 -2.215 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -14.377 4.233 -0.557 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -16.806 3.547 -1.656 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -15.546 4.707 0.007 1.00 0.00 C ATOM 1197 CZ PHE A 75 -16.762 4.363 -0.544 1.00 0.00 C ATOM 0 H PHE A 75 -11.106 1.427 -3.196 1.00 0.00 H new ATOM 0 HA PHE A 75 -13.167 1.129 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -12.289 3.458 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -13.128 3.133 -3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.676 2.443 -3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -13.427 4.505 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -17.757 3.275 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -15.507 5.345 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 75 -17.678 4.731 -0.106 1.00 0.00 H new ATOM 1207 N SER A 76 -14.733 -0.056 -2.609 1.00 0.00 N ATOM 1208 CA SER A 76 -15.611 -0.823 -3.472 1.00 0.00 C ATOM 1209 C SER A 76 -16.999 -0.197 -3.509 1.00 0.00 C ATOM 1210 O SER A 76 -17.626 0.008 -2.467 1.00 0.00 O ATOM 1211 CB SER A 76 -15.677 -2.280 -2.998 1.00 0.00 C ATOM 1212 OG SER A 76 -15.980 -2.362 -1.614 1.00 0.00 O ATOM 0 H SER A 76 -14.985 -0.079 -1.621 1.00 0.00 H new ATOM 0 HA SER A 76 -15.209 -0.811 -4.485 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.434 -2.816 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.724 -2.771 -3.193 1.00 0.00 H new ATOM 0 HG SER A 76 -16.594 -1.638 -1.370 1.00 0.00 H new ATOM 1218 N ILE A 77 -17.454 0.138 -4.709 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.760 0.757 -4.887 1.00 0.00 C ATOM 1220 C ILE A 77 -19.632 -0.121 -5.770 1.00 0.00 C ATOM 1221 O ILE A 77 -19.174 -0.608 -6.804 1.00 0.00 O ATOM 1222 CB ILE A 77 -18.681 2.158 -5.546 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -17.489 2.973 -5.035 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.971 2.924 -5.297 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -16.197 2.702 -5.779 1.00 0.00 C ATOM 0 H ILE A 77 -16.936 -0.009 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 77 -19.183 0.869 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.541 2.005 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.726 4.034 -5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.340 2.757 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.906 3.907 -5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -20.809 2.374 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.123 3.041 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.400 3.316 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.934 1.649 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.326 2.946 -6.833 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.877 -0.320 -5.378 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.801 -1.110 -6.179 1.00 0.00 C ATOM 1239 C GLN A 78 -22.276 -0.298 -7.385 1.00 0.00 C ATOM 1240 O GLN A 78 -22.395 0.926 -7.316 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.997 -1.553 -5.332 1.00 0.00 C ATOM 1242 CG GLN A 78 -23.969 -2.465 -6.068 1.00 0.00 C ATOM 1243 CD GLN A 78 -25.178 -2.833 -5.228 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -26.187 -2.130 -5.231 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -25.084 -3.936 -4.503 1.00 0.00 N ATOM 0 H GLN A 78 -21.273 0.051 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 78 -21.282 -2.000 -6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -22.630 -2.069 -4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -23.533 -0.669 -4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -24.303 -1.972 -6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -23.450 -3.375 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -24.229 -4.492 -4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -25.867 -4.231 -3.919 1.00 0.00 H new ATOM 1254 N LYS A 79 -22.530 -0.974 -8.494 1.00 0.00 N ATOM 1255 CA LYS A 79 -23.028 -0.310 -9.688 1.00 0.00 C ATOM 1256 C LYS A 79 -24.510 -0.604 -9.862 1.00 0.00 C ATOM 1257 O LYS A 79 -24.946 -1.739 -9.658 1.00 0.00 O ATOM 1258 CB LYS A 79 -22.248 -0.777 -10.922 1.00 0.00 C ATOM 1259 CG LYS A 79 -20.751 -0.521 -10.822 1.00 0.00 C ATOM 1260 CD LYS A 79 -19.976 -1.144 -11.977 1.00 0.00 C ATOM 1261 CE LYS A 79 -20.256 -0.448 -13.299 1.00 0.00 C ATOM 1262 NZ LYS A 79 -19.409 -0.997 -14.393 1.00 0.00 N ATOM 0 H LYS A 79 -22.400 -1.981 -8.592 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.889 0.765 -9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.418 -1.844 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -22.638 -0.268 -11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.569 0.554 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.379 -0.923 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -18.908 -1.097 -11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.238 -2.199 -12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.308 -0.566 -13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.071 0.621 -13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -19.563 -0.445 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -18.407 -0.939 -14.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -19.664 -1.990 -14.565 1.00 0.00 H new ATOM 1276 N GLU A 80 -25.286 0.418 -10.211 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.710 0.236 -10.456 1.00 0.00 C ATOM 1278 C GLU A 80 -26.862 -0.653 -11.684 1.00 0.00 C ATOM 1279 O GLU A 80 -27.424 -1.746 -11.618 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.389 1.593 -10.658 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.811 1.675 -10.116 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.771 0.707 -10.776 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -30.357 1.062 -11.819 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -29.955 -0.409 -10.244 1.00 0.00 O ATOM 0 H GLU A 80 -24.954 1.375 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 80 -27.192 -0.239 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -26.785 2.362 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -27.406 1.821 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -28.793 1.481 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -29.183 2.691 -10.250 1.00 0.00 H new ATOM 1427 N LEU A 88 -16.795 5.154 -16.502 1.00 0.00 N ATOM 1428 CA LEU A 88 -17.435 5.855 -15.393 1.00 0.00 C ATOM 1429 C LEU A 88 -17.186 7.362 -15.426 1.00 0.00 C ATOM 1430 O LEU A 88 -18.010 8.133 -14.938 1.00 0.00 O ATOM 1431 CB LEU A 88 -17.014 5.252 -14.040 1.00 0.00 C ATOM 1432 CG LEU A 88 -15.513 5.012 -13.823 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -14.772 6.307 -13.524 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -15.305 4.015 -12.695 1.00 0.00 C ATOM 0 HA LEU A 88 -18.509 5.714 -15.512 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.370 5.912 -13.249 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.531 4.300 -13.917 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.103 4.605 -14.747 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.713 6.095 -13.377 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.891 6.996 -14.360 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.180 6.760 -12.620 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.238 3.850 -12.547 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.742 4.408 -11.777 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.786 3.071 -12.951 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.081 7.784 -16.026 1.00 0.00 N ATOM 1447 CA LEU A 89 -15.700 9.186 -16.023 1.00 0.00 C ATOM 1448 C LEU A 89 -16.536 9.960 -17.033 1.00 0.00 C ATOM 1449 O LEU A 89 -16.507 9.672 -18.222 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.203 9.340 -16.335 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.430 10.307 -15.430 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -14.016 11.710 -15.499 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -13.424 9.807 -13.993 1.00 0.00 C ATOM 0 H LEU A 89 -15.433 7.172 -16.522 1.00 0.00 H new ATOM 0 HA LEU A 89 -15.886 9.594 -15.029 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.734 8.358 -16.270 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.099 9.675 -17.367 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.402 10.350 -15.789 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.448 12.374 -14.847 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.964 12.076 -16.524 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.056 11.686 -15.175 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.871 10.507 -13.367 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.449 9.728 -13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.948 8.827 -13.951 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.335 10.902 -16.549 1.00 0.00 N ATOM 1466 CA LYS A 90 -18.102 11.776 -17.432 1.00 0.00 C ATOM 1467 C LYS A 90 -17.173 12.448 -18.448 1.00 0.00 C ATOM 1468 O LYS A 90 -17.506 12.573 -19.623 1.00 0.00 O ATOM 1469 CB LYS A 90 -18.861 12.817 -16.616 1.00 0.00 C ATOM 1470 CG LYS A 90 -19.761 13.716 -17.449 1.00 0.00 C ATOM 1471 CD LYS A 90 -20.840 14.352 -16.591 1.00 0.00 C ATOM 1472 CE LYS A 90 -20.247 15.086 -15.401 1.00 0.00 C ATOM 1473 NZ LYS A 90 -19.715 16.425 -15.770 1.00 0.00 N ATOM 0 H LYS A 90 -17.470 11.081 -15.554 1.00 0.00 H new ATOM 0 HA LYS A 90 -18.830 11.176 -17.979 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.467 12.306 -15.867 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.143 13.436 -16.078 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.164 14.494 -17.924 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -20.222 13.135 -18.248 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -21.423 15.048 -17.195 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -21.527 13.582 -16.239 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -21.010 15.200 -14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -19.446 14.486 -14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -19.064 16.756 -15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -19.206 16.359 -16.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -20.503 17.098 -15.864 1.00 0.00 H new ATOM 1487 N SER A 91 -15.994 12.842 -17.985 1.00 0.00 N ATOM 1488 CA SER A 91 -14.963 13.401 -18.855 1.00 0.00 C ATOM 1489 C SER A 91 -14.052 12.290 -19.392 1.00 0.00 C ATOM 1490 O SER A 91 -12.836 12.452 -19.469 1.00 0.00 O ATOM 1491 CB SER A 91 -14.137 14.429 -18.073 1.00 0.00 C ATOM 1492 OG SER A 91 -14.960 15.479 -17.590 1.00 0.00 O ATOM 0 H SER A 91 -15.725 12.785 -17.003 1.00 0.00 H new ATOM 0 HA SER A 91 -15.442 13.891 -19.703 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.637 13.940 -17.237 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.357 14.839 -18.715 1.00 0.00 H new ATOM 0 HG SER A 91 -15.161 15.328 -16.643 1.00 0.00 H new ATOM 1498 N GLU A 92 -14.663 11.181 -19.797 1.00 0.00 N ATOM 1499 CA GLU A 92 -13.933 9.987 -20.226 1.00 0.00 C ATOM 1500 C GLU A 92 -13.066 10.264 -21.457 1.00 0.00 C ATOM 1501 O GLU A 92 -12.088 9.560 -21.707 1.00 0.00 O ATOM 1502 CB GLU A 92 -14.925 8.859 -20.535 1.00 0.00 C ATOM 1503 CG GLU A 92 -14.331 7.461 -20.474 1.00 0.00 C ATOM 1504 CD GLU A 92 -13.903 7.055 -19.072 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -14.783 6.710 -18.247 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -12.686 7.047 -18.804 1.00 0.00 O ATOM 0 H GLU A 92 -15.677 11.082 -19.838 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.272 9.689 -19.412 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -15.754 8.919 -19.830 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.340 9.020 -21.530 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -15.064 6.745 -20.845 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.469 7.409 -21.140 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.425 11.287 -22.226 1.00 0.00 N ATOM 1514 CA GLU A 93 -12.683 11.621 -23.437 1.00 0.00 C ATOM 1515 C GLU A 93 -11.345 12.275 -23.108 1.00 0.00 C ATOM 1516 O GLU A 93 -10.439 12.309 -23.942 1.00 0.00 O ATOM 1517 CB GLU A 93 -13.504 12.542 -24.341 1.00 0.00 C ATOM 1518 CG GLU A 93 -13.956 13.826 -23.670 1.00 0.00 C ATOM 1519 CD GLU A 93 -14.661 14.752 -24.629 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -15.817 14.458 -25.001 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -14.061 15.773 -25.021 1.00 0.00 O ATOM 0 H GLU A 93 -14.220 11.896 -22.034 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.488 10.688 -23.966 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.911 12.793 -25.220 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.382 12.000 -24.693 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.623 13.586 -22.842 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.091 14.336 -23.245 1.00 0.00 H new ATOM 1528 N LYS A 94 -11.223 12.789 -21.894 1.00 0.00 N ATOM 1529 CA LYS A 94 -9.982 13.404 -21.450 1.00 0.00 C ATOM 1530 C LYS A 94 -9.822 13.220 -19.948 1.00 0.00 C ATOM 1531 O LYS A 94 -10.258 14.057 -19.157 1.00 0.00 O ATOM 1532 CB LYS A 94 -9.941 14.890 -21.815 1.00 0.00 C ATOM 1533 CG LYS A 94 -8.627 15.569 -21.449 1.00 0.00 C ATOM 1534 CD LYS A 94 -8.615 17.034 -21.850 1.00 0.00 C ATOM 1535 CE LYS A 94 -9.732 17.812 -21.170 1.00 0.00 C ATOM 1536 NZ LYS A 94 -9.669 19.259 -21.498 1.00 0.00 N ATOM 0 H LYS A 94 -11.969 12.792 -21.198 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.153 12.913 -21.960 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.111 14.998 -22.886 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.759 15.403 -21.310 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.462 15.485 -20.375 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.802 15.052 -21.939 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.653 17.475 -21.589 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.720 17.116 -22.932 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.697 17.410 -21.479 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.663 17.680 -20.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.445 19.758 -21.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.758 19.648 -21.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.760 19.386 -22.526 1.00 0.00 H new ATOM 1550 N PRO A 95 -9.226 12.094 -19.540 1.00 0.00 N ATOM 1551 CA PRO A 95 -9.031 11.775 -18.129 1.00 0.00 C ATOM 1552 C PRO A 95 -7.986 12.671 -17.473 1.00 0.00 C ATOM 1553 O PRO A 95 -6.962 13.004 -18.079 1.00 0.00 O ATOM 1554 CB PRO A 95 -8.558 10.318 -18.152 1.00 0.00 C ATOM 1555 CG PRO A 95 -7.932 10.142 -19.493 1.00 0.00 C ATOM 1556 CD PRO A 95 -8.698 11.038 -20.427 1.00 0.00 C ATOM 0 HA PRO A 95 -9.940 11.928 -17.547 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.843 10.122 -17.353 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.391 9.629 -18.011 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.877 10.413 -19.470 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.987 9.102 -19.816 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.055 11.451 -21.204 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.500 10.499 -20.931 1.00 0.00 H new ATOM 1564 N ALA A 96 -8.259 13.075 -16.241 1.00 0.00 N ATOM 1565 CA ALA A 96 -7.315 13.868 -15.475 1.00 0.00 C ATOM 1566 C ALA A 96 -6.067 13.045 -15.156 1.00 0.00 C ATOM 1567 O ALA A 96 -6.126 11.814 -15.112 1.00 0.00 O ATOM 1568 CB ALA A 96 -7.979 14.382 -14.207 1.00 0.00 C ATOM 0 H ALA A 96 -9.129 12.865 -15.752 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.003 14.728 -16.068 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.265 14.976 -13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.837 15.001 -14.471 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.312 13.538 -13.603 1.00 0.00 H new ATOM 1574 N PRO A 97 -4.921 13.712 -14.931 1.00 0.00 N ATOM 1575 CA PRO A 97 -3.619 13.044 -14.749 1.00 0.00 C ATOM 1576 C PRO A 97 -3.576 12.029 -13.601 1.00 0.00 C ATOM 1577 O PRO A 97 -2.627 11.251 -13.505 1.00 0.00 O ATOM 1578 CB PRO A 97 -2.647 14.202 -14.474 1.00 0.00 C ATOM 1579 CG PRO A 97 -3.508 15.358 -14.098 1.00 0.00 C ATOM 1580 CD PRO A 97 -4.789 15.177 -14.852 1.00 0.00 C ATOM 0 HA PRO A 97 -3.376 12.448 -15.629 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.953 13.951 -13.672 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.047 14.429 -15.355 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.687 15.379 -13.023 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.031 16.302 -14.360 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.632 15.631 -14.331 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.743 15.632 -15.841 1.00 0.00 H new ATOM 1588 N TYR A 98 -4.593 12.010 -12.746 1.00 0.00 N ATOM 1589 CA TYR A 98 -4.590 11.089 -11.621 1.00 0.00 C ATOM 1590 C TYR A 98 -5.473 9.869 -11.890 1.00 0.00 C ATOM 1591 O TYR A 98 -5.632 9.014 -11.025 1.00 0.00 O ATOM 1592 CB TYR A 98 -5.006 11.797 -10.322 1.00 0.00 C ATOM 1593 CG TYR A 98 -6.383 12.426 -10.338 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -7.505 11.686 -9.995 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -6.557 13.763 -10.667 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -8.761 12.257 -9.982 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -7.811 14.344 -10.659 1.00 0.00 C ATOM 1598 CZ TYR A 98 -8.909 13.585 -10.316 1.00 0.00 C ATOM 1599 OH TYR A 98 -10.159 14.159 -10.303 1.00 0.00 O ATOM 0 H TYR A 98 -5.415 12.611 -12.810 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.568 10.732 -11.496 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.964 11.076 -9.506 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.273 12.573 -10.100 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.393 10.644 -9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.697 14.360 -10.934 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -9.623 11.666 -9.711 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.930 15.385 -10.920 1.00 0.00 H new ATOM 0 HH TYR A 98 -10.089 15.102 -10.562 1.00 0.00 H new ATOM 1609 N ILE A 99 -6.030 9.780 -13.098 1.00 0.00 N ATOM 1610 CA ILE A 99 -6.868 8.638 -13.465 1.00 0.00 C ATOM 1611 C ILE A 99 -6.060 7.588 -14.222 1.00 0.00 C ATOM 1612 O ILE A 99 -5.497 7.866 -15.281 1.00 0.00 O ATOM 1613 CB ILE A 99 -8.100 9.044 -14.326 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -9.175 9.706 -13.469 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.687 7.841 -15.051 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -8.900 11.154 -13.165 1.00 0.00 C ATOM 0 H ILE A 99 -5.918 10.478 -13.833 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.234 8.223 -12.526 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.752 9.762 -15.069 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.134 9.627 -13.980 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.268 9.158 -12.531 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.546 8.157 -15.644 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.932 7.408 -15.708 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.004 7.096 -14.322 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.707 11.557 -12.552 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.957 11.240 -12.625 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.837 11.716 -14.097 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.993 6.390 -13.654 1.00 0.00 N ATOM 1629 CA LYS A 100 -5.400 5.236 -14.329 1.00 0.00 C ATOM 1630 C LYS A 100 -6.151 3.969 -13.944 1.00 0.00 C ATOM 1631 O LYS A 100 -6.865 3.949 -12.947 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.912 5.079 -13.991 1.00 0.00 C ATOM 1633 CG LYS A 100 -3.028 6.134 -14.628 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.555 5.834 -14.420 1.00 0.00 C ATOM 1635 CE LYS A 100 -0.681 6.944 -14.984 1.00 0.00 C ATOM 1636 NZ LYS A 100 -0.957 8.251 -14.330 1.00 0.00 N ATOM 0 H LYS A 100 -6.345 6.189 -12.718 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.482 5.403 -15.403 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.788 5.119 -12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.577 4.093 -14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.240 6.190 -15.696 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.264 7.110 -14.204 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.353 5.714 -13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.302 4.889 -14.901 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.369 6.684 -14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.852 7.031 -16.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.215 8.932 -14.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.881 8.609 -14.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.969 8.127 -13.297 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.998 2.922 -14.735 1.00 0.00 N ATOM 1651 CA VAL A 101 -6.696 1.672 -14.478 1.00 0.00 C ATOM 1652 C VAL A 101 -5.847 0.746 -13.608 1.00 0.00 C ATOM 1653 O VAL A 101 -4.678 0.490 -13.903 1.00 0.00 O ATOM 1654 CB VAL A 101 -7.089 0.967 -15.801 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -5.871 0.737 -16.690 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -7.812 -0.343 -15.526 1.00 0.00 C ATOM 0 H VAL A 101 -5.398 2.911 -15.560 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.613 1.908 -13.938 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.772 1.627 -16.336 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.180 0.241 -17.610 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.411 1.695 -16.932 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.150 0.110 -16.165 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.077 -0.818 -16.471 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.160 -1.006 -14.957 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.718 -0.145 -14.953 1.00 0.00 H new ATOM 1666 N ASP A 102 -6.432 0.275 -12.513 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.749 -0.670 -11.639 1.00 0.00 C ATOM 1668 C ASP A 102 -5.629 -2.033 -12.306 1.00 0.00 C ATOM 1669 O ASP A 102 -6.628 -2.708 -12.561 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.467 -0.817 -10.300 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.756 -1.797 -9.387 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -4.744 -1.430 -8.765 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -6.198 -2.954 -9.296 1.00 0.00 O ATOM 0 H ASP A 102 -7.372 0.530 -12.211 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.752 -0.272 -11.453 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.529 0.156 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.489 -1.154 -10.470 1.00 0.00 H new ATOM 1678 N TRP A 103 -4.393 -2.426 -12.568 1.00 0.00 N ATOM 1679 CA TRP A 103 -4.092 -3.685 -13.239 1.00 0.00 C ATOM 1680 C TRP A 103 -4.211 -4.875 -12.286 1.00 0.00 C ATOM 1681 O TRP A 103 -3.960 -6.016 -12.669 1.00 0.00 O ATOM 1682 CB TRP A 103 -2.681 -3.625 -13.841 1.00 0.00 C ATOM 1683 CG TRP A 103 -1.604 -3.397 -12.821 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -0.823 -4.349 -12.228 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -1.185 -2.138 -12.275 1.00 0.00 C ATOM 1686 NE1 TRP A 103 0.044 -3.763 -11.344 1.00 0.00 N ATOM 1687 CE2 TRP A 103 -0.156 -2.407 -11.356 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -1.584 -0.810 -12.473 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 0.480 -1.399 -10.637 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -0.951 0.190 -11.758 1.00 0.00 C ATOM 1691 CH2 TRP A 103 0.070 -0.111 -10.849 1.00 0.00 C ATOM 0 H TRP A 103 -3.567 -1.881 -12.322 1.00 0.00 H new ATOM 0 HA TRP A 103 -4.823 -3.828 -14.035 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.480 -4.558 -14.368 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.644 -2.826 -14.581 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.881 -5.409 -12.427 1.00 0.00 H new ATOM 0 HE1 TRP A 103 0.728 -4.256 -10.770 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.372 -0.571 -13.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.270 -1.626 -9.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -1.249 1.218 -11.903 1.00 0.00 H new ATOM 0 HH2 TRP A 103 0.545 0.691 -10.303 1.00 0.00 H new ATOM 1702 N ASN A 104 -4.578 -4.610 -11.041 1.00 0.00 N ATOM 1703 CA ASN A 104 -4.652 -5.661 -10.033 1.00 0.00 C ATOM 1704 C ASN A 104 -6.063 -6.229 -9.932 1.00 0.00 C ATOM 1705 O ASN A 104 -6.246 -7.437 -9.810 1.00 0.00 O ATOM 1706 CB ASN A 104 -4.202 -5.141 -8.663 1.00 0.00 C ATOM 1707 CG ASN A 104 -2.783 -4.603 -8.673 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -1.822 -5.363 -8.546 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -2.638 -3.289 -8.796 1.00 0.00 N ATOM 0 H ASN A 104 -4.829 -3.681 -10.704 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.978 -6.459 -10.345 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.882 -4.353 -8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.275 -5.947 -7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.705 -2.876 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.459 -2.693 -8.899 1.00 0.00 H new ATOM 1716 N LYS A 105 -7.058 -5.349 -9.969 1.00 0.00 N ATOM 1717 CA LYS A 105 -8.454 -5.770 -9.872 1.00 0.00 C ATOM 1718 C LYS A 105 -9.000 -6.079 -11.259 1.00 0.00 C ATOM 1719 O LYS A 105 -10.126 -6.561 -11.402 1.00 0.00 O ATOM 1720 CB LYS A 105 -9.323 -4.689 -9.208 1.00 0.00 C ATOM 1721 CG LYS A 105 -8.659 -3.961 -8.047 1.00 0.00 C ATOM 1722 CD LYS A 105 -8.049 -4.915 -7.036 1.00 0.00 C ATOM 1723 CE LYS A 105 -7.260 -4.163 -5.974 1.00 0.00 C ATOM 1724 NZ LYS A 105 -6.324 -3.167 -6.568 1.00 0.00 N ATOM 0 H LYS A 105 -6.926 -4.342 -10.065 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.490 -6.666 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.607 -3.956 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.243 -5.151 -8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.883 -3.300 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.395 -3.331 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.838 -5.499 -6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.394 -5.621 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.951 -3.654 -5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.696 -4.875 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.415 -3.202 -6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.172 -3.389 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.731 -2.214 -6.482 1.00 0.00 H new ATOM 1738 N TRP A 106 -8.202 -5.753 -12.271 1.00 0.00 N ATOM 1739 CA TRP A 106 -8.527 -6.041 -13.650 1.00 0.00 C ATOM 1740 C TRP A 106 -8.888 -7.510 -13.852 1.00 0.00 C ATOM 1741 O TRP A 106 -8.225 -8.404 -13.326 1.00 0.00 O ATOM 1742 CB TRP A 106 -7.333 -5.689 -14.530 1.00 0.00 C ATOM 1743 CG TRP A 106 -7.725 -5.405 -15.934 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -8.563 -4.420 -16.332 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -7.303 -6.092 -17.119 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -8.706 -4.443 -17.699 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -7.935 -5.461 -18.206 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -6.453 -7.175 -17.366 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -7.744 -5.878 -19.521 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -6.265 -7.588 -18.673 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -6.907 -6.941 -19.734 1.00 0.00 C ATOM 0 H TRP A 106 -7.307 -5.279 -12.149 1.00 0.00 H new ATOM 0 HA TRP A 106 -9.395 -5.442 -13.925 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -6.824 -4.819 -14.115 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.619 -6.513 -14.515 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.049 -3.717 -15.671 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.288 -3.809 -18.246 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -5.953 -7.679 -16.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.238 -5.381 -20.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -5.612 -8.424 -18.877 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.739 -7.287 -20.743 1.00 0.00 H new