USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1055 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 86 ASN : amide:sc= -0.527 X(o=-0.03,f=0.29) USER MOD Set 1.2: A 132 SER OG : rot 120:sc= 0.497 USER MOD Set 2.1: A 116 SER OG : rot 148:sc= 1.17 USER MOD Set 2.2: A 118 ASN : amide:sc= 0.792 K(o=2,f=0.29) USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 0.732 USER MOD Set 3.2: A 105 SER OG : rot 103:sc= 0.831 USER MOD Set 4.1: A 96 THR OG1 : rot 62:sc= 1.83 USER MOD Set 4.2: A 98 ASN : amide:sc= 0.532 K(o=2.4,f=1.3) USER MOD Set 5.1: A 81 ASN : amide:sc= -1.14 K(o=-1.1,f=-12!) USER MOD Set 5.2: A 83 SER OG : rot -95:sc=-0.00806 USER MOD Set 6.1: A 22 GLN :FLIP amide:sc= -0.172 F(o=-1.5,f=0.69) USER MOD Set 6.2: A 62 ASN : amide:sc= 0.861 K(o=0.69,f=-0.23) USER MOD Set 7.1: A 19 HIS : no HD1:sc= -0.0178 K(o=0.43,f=-1.7) USER MOD Set 7.2: A 21 SER OG : rot -34:sc= 0.446 USER MOD Set 8.1: A 16 LYS NZ :NH3+ -154:sc= 1.08! (180deg=-0.127!) USER MOD Set 8.2: A 45 GLN : amide:sc= 0.587 K(o=1.7,f=-7.8!) USER MOD Set 9.1: A 1 SER N :NH3+ -119:sc= 0.368 (180deg=0) USER MOD Set 9.2: A 12 SER OG : rot 41:sc= 0.136 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 13 HIS : no HE2:sc= 0.716 K(o=0.72,f=-4.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.322 F(o=-3,f=0.32) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc=-0.000581 (180deg=-0.0706) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -159:sc= -1.74 (180deg=-3.26!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.46 F(o=-4.7!,f=-1.5) USER MOD Single : A 56 SER OG : rot -78:sc= 1.14 USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= -0.0959 (180deg=-0.382) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0.853 (180deg=0.842) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -15:sc= 0.189 USER MOD Single : A 71 THR OG1 : rot 140:sc= 0.0253 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.781 K(o=0.78,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -160:sc= -1.84! USER MOD Single : A 87 SER OG : rot -140:sc= -1.5! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 86:sc= 1.32 USER MOD Single : A 100 SER OG : rot 27:sc= -0.0197 USER MOD Single : A 108 LYS NZ :NH3+ 169:sc= -0.0497 (180deg=-0.25) USER MOD Single : A 110 THR OG1 : rot -13:sc= 0.545 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN :FLIP amide:sc= -0.557 F(o=-1.7,f=-0.56) USER MOD Single : A 123 GLN : amide:sc= -3.13! C(o=-3.1!,f=-3.2!) USER MOD Single : A 124 LYS NZ :NH3+ -167:sc= -0.0229 (180deg=-0.227) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HE2:sc= -0.147! C(o=-0.15!,f=-6.1!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 TYR OH : rot 53:sc= 1.18 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.575 -7.843 5.432 1.00 0.00 N ATOM 2 CA SER A 1 16.983 -8.955 4.579 1.00 0.00 C ATOM 3 C SER A 1 16.362 -8.787 3.206 1.00 0.00 C ATOM 4 O SER A 1 15.266 -8.248 3.088 1.00 0.00 O ATOM 5 CB SER A 1 16.539 -10.278 5.214 1.00 0.00 C ATOM 6 OG SER A 1 17.083 -10.424 6.528 1.00 0.00 O ATOM 0 H1 SER A 1 17.416 -7.314 5.738 1.00 0.00 H new ATOM 0 H2 SER A 1 15.943 -7.211 4.900 1.00 0.00 H new ATOM 0 H3 SER A 1 16.075 -8.211 6.266 1.00 0.00 H new ATOM 0 HA SER A 1 18.068 -8.966 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.451 -10.316 5.261 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.860 -11.111 4.589 1.00 0.00 H new ATOM 0 HG SER A 1 16.784 -11.274 6.913 1.00 0.00 H new ATOM 14 N ALA A 2 17.054 -9.233 2.180 1.00 0.00 N ATOM 15 CA ALA A 2 16.594 -9.074 0.827 1.00 0.00 C ATOM 16 C ALA A 2 16.708 -10.382 0.068 1.00 0.00 C ATOM 17 O ALA A 2 17.793 -10.957 -0.025 1.00 0.00 O ATOM 18 CB ALA A 2 17.417 -7.998 0.127 1.00 0.00 C ATOM 0 H ALA A 2 17.949 -9.715 2.265 1.00 0.00 H new ATOM 0 HA ALA A 2 15.546 -8.774 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.066 -7.880 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.308 -7.053 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.467 -8.291 0.119 1.00 0.00 H new ATOM 24 N LYS A 3 15.581 -10.885 -0.413 1.00 0.00 N ATOM 25 CA LYS A 3 15.562 -12.069 -1.266 1.00 0.00 C ATOM 26 C LYS A 3 16.276 -11.807 -2.569 1.00 0.00 C ATOM 27 O LYS A 3 17.139 -12.558 -3.006 1.00 0.00 O ATOM 28 CB LYS A 3 14.140 -12.559 -1.527 1.00 0.00 C ATOM 29 CG LYS A 3 13.420 -13.134 -0.310 1.00 0.00 C ATOM 30 CD LYS A 3 14.139 -14.337 0.277 1.00 0.00 C ATOM 31 CE LYS A 3 14.264 -15.450 -0.738 1.00 0.00 C ATOM 32 NZ LYS A 3 14.937 -16.637 -0.176 1.00 0.00 N ATOM 0 H LYS A 3 14.660 -10.489 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 3 16.091 -12.858 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.552 -11.729 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.172 -13.322 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.329 -12.361 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.408 -13.422 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.131 -14.040 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.596 -14.698 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.272 -15.730 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.823 -15.091 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.002 -17.376 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.893 -16.377 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 14.391 -16.995 0.633 1.00 0.00 H new ATOM 46 N LEU A 4 15.888 -10.760 -3.158 1.00 0.00 N ATOM 47 CA LEU A 4 16.482 -10.238 -4.365 1.00 0.00 C ATOM 48 C LEU A 4 17.045 -8.886 -3.990 1.00 0.00 C ATOM 49 O LEU A 4 16.674 -8.342 -2.961 1.00 0.00 O ATOM 50 CB LEU A 4 15.474 -10.131 -5.577 1.00 0.00 C ATOM 51 CG LEU A 4 14.931 -11.442 -6.195 1.00 0.00 C ATOM 52 CD1 LEU A 4 13.976 -12.167 -5.252 1.00 0.00 C ATOM 53 CD2 LEU A 4 14.235 -11.152 -7.513 1.00 0.00 C ATOM 0 H LEU A 4 15.110 -10.195 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 4 17.252 -10.920 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.620 -9.539 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.966 -9.568 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 4 15.785 -12.097 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.620 -13.081 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.497 -12.417 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.128 -11.521 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.858 -12.082 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.404 -10.467 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 4 14.943 -10.698 -8.206 1.00 0.00 H new ATOM 65 N GLU A 5 17.918 -8.361 -4.767 1.00 0.00 N ATOM 66 CA GLU A 5 18.575 -7.112 -4.409 1.00 0.00 C ATOM 67 C GLU A 5 17.756 -5.893 -4.800 1.00 0.00 C ATOM 68 O GLU A 5 16.994 -5.917 -5.767 1.00 0.00 O ATOM 69 CB GLU A 5 19.945 -7.056 -5.047 1.00 0.00 C ATOM 70 CG GLU A 5 20.859 -8.175 -4.606 1.00 0.00 C ATOM 71 CD GLU A 5 22.063 -8.297 -5.486 1.00 0.00 C ATOM 72 OE1 GLU A 5 23.066 -7.581 -5.260 1.00 0.00 O ATOM 73 OE2 GLU A 5 22.028 -9.106 -6.436 1.00 0.00 O ATOM 0 H GLU A 5 18.210 -8.759 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 5 18.674 -7.090 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.835 -7.093 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.411 -6.100 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.178 -7.999 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.309 -9.116 -4.612 1.00 0.00 H new ATOM 80 N CYS A 6 17.899 -4.858 -4.025 1.00 0.00 N ATOM 81 CA CYS A 6 17.255 -3.588 -4.265 1.00 0.00 C ATOM 82 C CYS A 6 18.290 -2.450 -4.082 1.00 0.00 C ATOM 83 O CYS A 6 19.419 -2.722 -3.638 1.00 0.00 O ATOM 84 CB CYS A 6 16.091 -3.439 -3.290 1.00 0.00 C ATOM 85 SG CYS A 6 16.559 -3.552 -1.532 1.00 0.00 S ATOM 0 H CYS A 6 18.480 -4.868 -3.187 1.00 0.00 H new ATOM 0 HA CYS A 6 16.868 -3.536 -5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.609 -2.477 -3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.351 -4.210 -3.506 1.00 0.00 H new ATOM 90 N PRO A 7 17.971 -1.185 -4.494 1.00 0.00 N ATOM 91 CA PRO A 7 18.876 -0.030 -4.300 1.00 0.00 C ATOM 92 C PRO A 7 19.198 0.250 -2.816 1.00 0.00 C ATOM 93 O PRO A 7 18.464 -0.164 -1.914 1.00 0.00 O ATOM 94 CB PRO A 7 18.097 1.143 -4.904 1.00 0.00 C ATOM 95 CG PRO A 7 17.141 0.520 -5.847 1.00 0.00 C ATOM 96 CD PRO A 7 16.751 -0.780 -5.222 1.00 0.00 C ATOM 0 HA PRO A 7 19.846 -0.207 -4.764 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.577 1.711 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.763 1.837 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.271 1.158 -6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 7 17.599 0.364 -6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 7 15.901 -0.664 -4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 7 16.466 -1.518 -5.972 1.00 0.00 H new ATOM 104 N GLN A 8 20.274 0.995 -2.593 1.00 0.00 N ATOM 105 CA GLN A 8 20.793 1.267 -1.247 1.00 0.00 C ATOM 106 C GLN A 8 19.872 2.126 -0.385 1.00 0.00 C ATOM 107 O GLN A 8 19.876 2.003 0.826 1.00 0.00 O ATOM 108 CB GLN A 8 22.183 1.900 -1.308 1.00 0.00 C ATOM 109 CG GLN A 8 22.230 3.199 -2.086 1.00 0.00 C ATOM 110 CD GLN A 8 23.596 3.841 -2.112 1.00 0.00 C ATOM 111 OE1 GLN A 8 24.363 3.680 -1.061 1.00 0.00 O flip ATOM 112 NE2 GLN A 8 23.951 4.501 -3.093 1.00 0.00 N flip ATOM 0 H GLN A 8 20.817 1.431 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 8 20.852 0.292 -0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.534 2.083 -0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.875 1.191 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.907 3.011 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.517 3.899 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.326 4.603 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.870 4.944 -3.104 1.00 0.00 H new ATOM 121 N ASP A 9 19.079 2.981 -0.992 1.00 0.00 N ATOM 122 CA ASP A 9 18.205 3.875 -0.212 1.00 0.00 C ATOM 123 C ASP A 9 16.889 3.218 0.080 1.00 0.00 C ATOM 124 O ASP A 9 15.913 3.879 0.415 1.00 0.00 O ATOM 125 CB ASP A 9 17.959 5.206 -0.932 1.00 0.00 C ATOM 126 CG ASP A 9 19.195 6.046 -1.050 1.00 0.00 C ATOM 127 OD1 ASP A 9 19.634 6.625 -0.035 1.00 0.00 O ATOM 128 OD2 ASP A 9 19.745 6.154 -2.159 1.00 0.00 O ATOM 0 H ASP A 9 19.010 3.087 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 9 18.723 4.081 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.566 5.006 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.195 5.768 -0.395 1.00 0.00 H new ATOM 133 N TRP A 10 16.865 1.926 -0.022 1.00 0.00 N ATOM 134 CA TRP A 10 15.669 1.172 0.154 1.00 0.00 C ATOM 135 C TRP A 10 15.816 0.197 1.319 1.00 0.00 C ATOM 136 O TRP A 10 16.921 -0.257 1.637 1.00 0.00 O ATOM 137 CB TRP A 10 15.308 0.461 -1.151 1.00 0.00 C ATOM 138 CG TRP A 10 14.918 1.387 -2.271 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.678 2.366 -2.836 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.682 1.398 -2.969 1.00 0.00 C ATOM 141 NE1 TRP A 10 14.981 2.996 -3.818 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.757 2.421 -3.927 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.517 0.653 -2.877 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.715 2.710 -4.778 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.486 0.945 -3.730 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.594 1.967 -4.667 1.00 0.00 C ATOM 0 H TRP A 10 17.687 1.360 -0.233 1.00 0.00 H new ATOM 0 HA TRP A 10 14.849 1.845 0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.159 -0.140 -1.471 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.485 -0.228 -0.961 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.690 2.607 -2.545 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.323 3.775 -4.381 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.424 -0.140 -2.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 12.792 3.502 -5.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.573 0.371 -3.674 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.760 2.171 -5.322 1.00 0.00 H new ATOM 157 N LEU A 11 14.711 -0.067 1.969 1.00 0.00 N ATOM 158 CA LEU A 11 14.637 -0.921 3.159 1.00 0.00 C ATOM 159 C LEU A 11 14.242 -2.308 2.782 1.00 0.00 C ATOM 160 O LEU A 11 13.115 -2.550 2.373 1.00 0.00 O ATOM 161 CB LEU A 11 13.613 -0.365 4.161 1.00 0.00 C ATOM 162 CG LEU A 11 13.994 0.851 5.028 1.00 0.00 C ATOM 163 CD1 LEU A 11 14.687 1.929 4.234 1.00 0.00 C ATOM 164 CD2 LEU A 11 12.736 1.416 5.646 1.00 0.00 C ATOM 0 H LEU A 11 13.805 0.310 1.689 1.00 0.00 H new ATOM 0 HA LEU A 11 15.624 -0.936 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.716 -0.101 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.340 -1.176 4.836 1.00 0.00 H new ATOM 0 HG LEU A 11 14.692 0.513 5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.934 2.763 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.602 1.528 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.027 2.277 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.989 2.278 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.050 1.724 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.261 0.654 6.264 1.00 0.00 H new ATOM 176 N SER A 12 15.134 -3.196 2.934 1.00 0.00 N ATOM 177 CA SER A 12 14.929 -4.549 2.555 1.00 0.00 C ATOM 178 C SER A 12 14.232 -5.368 3.669 1.00 0.00 C ATOM 179 O SER A 12 14.745 -5.508 4.793 1.00 0.00 O ATOM 180 CB SER A 12 16.278 -5.119 2.165 1.00 0.00 C ATOM 181 OG SER A 12 17.236 -4.876 3.191 1.00 0.00 O ATOM 0 H SER A 12 16.054 -3.010 3.334 1.00 0.00 H new ATOM 0 HA SER A 12 14.248 -4.605 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.189 -6.191 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.614 -4.668 1.231 1.00 0.00 H new ATOM 0 HG SER A 12 16.819 -5.013 4.067 1.00 0.00 H new ATOM 187 N HIS A 13 13.063 -5.901 3.364 1.00 0.00 N ATOM 188 CA HIS A 13 12.323 -6.707 4.304 1.00 0.00 C ATOM 189 C HIS A 13 11.836 -7.953 3.612 1.00 0.00 C ATOM 190 O HIS A 13 10.936 -7.877 2.779 1.00 0.00 O ATOM 191 CB HIS A 13 11.129 -5.942 4.902 1.00 0.00 C ATOM 192 CG HIS A 13 10.348 -6.729 5.933 1.00 0.00 C ATOM 193 ND1 HIS A 13 9.060 -7.199 5.733 1.00 0.00 N ATOM 194 CD2 HIS A 13 10.681 -7.111 7.190 1.00 0.00 C ATOM 195 CE1 HIS A 13 8.654 -7.824 6.813 1.00 0.00 C ATOM 196 NE2 HIS A 13 9.615 -7.787 7.708 1.00 0.00 N ATOM 0 H HIS A 13 12.605 -5.785 2.460 1.00 0.00 H new ATOM 0 HA HIS A 13 12.990 -6.967 5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.493 -5.023 5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.456 -5.651 4.095 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.513 -7.078 4.880 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.618 -6.916 7.690 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.689 -8.292 6.944 1.00 0.00 H new ATOM 205 N ARG A 14 12.435 -9.081 3.956 1.00 0.00 N ATOM 206 CA ARG A 14 12.094 -10.378 3.389 1.00 0.00 C ATOM 207 C ARG A 14 12.233 -10.401 1.862 1.00 0.00 C ATOM 208 O ARG A 14 13.338 -10.502 1.327 1.00 0.00 O ATOM 209 CB ARG A 14 10.691 -10.846 3.845 1.00 0.00 C ATOM 210 CG ARG A 14 10.619 -11.332 5.289 1.00 0.00 C ATOM 211 CD ARG A 14 9.181 -11.387 5.800 1.00 0.00 C ATOM 212 NE ARG A 14 8.262 -12.054 4.874 1.00 0.00 N ATOM 213 CZ ARG A 14 6.924 -12.055 4.996 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.342 -11.705 6.151 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.176 -12.486 4.002 1.00 0.00 N ATOM 0 H ARG A 14 13.184 -9.123 4.648 1.00 0.00 H new ATOM 0 HA ARG A 14 12.819 -11.093 3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.989 -10.022 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.360 -11.651 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.068 -12.322 5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.205 -10.669 5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.163 -11.908 6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.829 -10.372 5.983 1.00 0.00 H new ATOM 0 HE ARG A 14 8.666 -12.552 4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.916 -11.434 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.325 -11.710 6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.613 -12.818 3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.160 -12.488 4.092 1.00 0.00 H new ATOM 229 N ASP A 15 11.136 -10.220 1.187 1.00 0.00 N ATOM 230 CA ASP A 15 11.075 -10.281 -0.252 1.00 0.00 C ATOM 231 C ASP A 15 10.528 -8.983 -0.825 1.00 0.00 C ATOM 232 O ASP A 15 9.967 -8.949 -1.929 1.00 0.00 O ATOM 233 CB ASP A 15 10.206 -11.461 -0.698 1.00 0.00 C ATOM 234 CG ASP A 15 8.812 -11.474 -0.147 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.633 -11.602 1.078 1.00 0.00 O ATOM 236 OD2 ASP A 15 7.855 -11.363 -0.914 1.00 0.00 O ATOM 0 H ASP A 15 10.237 -10.021 1.627 1.00 0.00 H new ATOM 0 HA ASP A 15 12.087 -10.425 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.149 -11.458 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.703 -12.387 -0.408 1.00 0.00 H new ATOM 241 N LYS A 16 10.685 -7.912 -0.097 1.00 0.00 N ATOM 242 CA LYS A 16 10.309 -6.602 -0.585 1.00 0.00 C ATOM 243 C LYS A 16 11.361 -5.616 -0.156 1.00 0.00 C ATOM 244 O LYS A 16 12.151 -5.901 0.749 1.00 0.00 O ATOM 245 CB LYS A 16 8.938 -6.112 -0.058 1.00 0.00 C ATOM 246 CG LYS A 16 7.682 -6.885 -0.477 1.00 0.00 C ATOM 247 CD LYS A 16 7.616 -8.247 0.153 1.00 0.00 C ATOM 248 CE LYS A 16 6.244 -8.837 0.140 1.00 0.00 C ATOM 249 NZ LYS A 16 6.251 -10.095 0.891 1.00 0.00 N ATOM 0 H LYS A 16 11.074 -7.916 0.846 1.00 0.00 H new ATOM 0 HA LYS A 16 10.226 -6.677 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.981 -6.112 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.812 -5.076 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.796 -6.314 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.666 -6.988 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.297 -8.916 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.966 -8.181 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.532 -8.140 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.922 -9.014 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.489 -10.711 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.167 -10.571 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.102 -9.897 1.901 1.00 0.00 H new ATOM 263 N CYS A 17 11.406 -4.490 -0.797 1.00 0.00 N ATOM 264 CA CYS A 17 12.322 -3.458 -0.402 1.00 0.00 C ATOM 265 C CYS A 17 11.592 -2.132 -0.522 1.00 0.00 C ATOM 266 O CYS A 17 11.011 -1.858 -1.545 1.00 0.00 O ATOM 267 CB CYS A 17 13.561 -3.523 -1.268 1.00 0.00 C ATOM 268 SG CYS A 17 15.002 -2.669 -0.596 1.00 0.00 S ATOM 0 H CYS A 17 10.819 -4.259 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 17 12.656 -3.582 0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.819 -4.570 -1.430 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.327 -3.098 -2.244 1.00 0.00 H new ATOM 273 N PHE A 18 11.612 -1.340 0.520 1.00 0.00 N ATOM 274 CA PHE A 18 10.726 -0.164 0.635 1.00 0.00 C ATOM 275 C PHE A 18 11.450 1.182 0.565 1.00 0.00 C ATOM 276 O PHE A 18 12.603 1.301 0.938 1.00 0.00 O ATOM 277 CB PHE A 18 9.996 -0.224 1.985 1.00 0.00 C ATOM 278 CG PHE A 18 9.347 -1.544 2.277 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.486 -2.127 1.376 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.629 -2.215 3.449 1.00 0.00 C ATOM 281 CE1 PHE A 18 7.915 -3.350 1.644 1.00 0.00 C ATOM 282 CE2 PHE A 18 9.058 -3.440 3.717 1.00 0.00 C ATOM 283 CZ PHE A 18 8.200 -4.007 2.815 1.00 0.00 C ATOM 0 H PHE A 18 12.232 -1.474 1.319 1.00 0.00 H new ATOM 0 HA PHE A 18 10.050 -0.214 -0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.707 0.002 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.234 0.555 2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.256 -1.620 0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.306 -1.774 4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.239 -3.795 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.288 -3.953 4.639 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.749 -4.966 3.023 1.00 0.00 H new ATOM 293 N HIS A 19 10.735 2.182 0.082 1.00 0.00 N ATOM 294 CA HIS A 19 11.174 3.569 0.088 1.00 0.00 C ATOM 295 C HIS A 19 9.972 4.413 0.486 1.00 0.00 C ATOM 296 O HIS A 19 9.044 4.586 -0.315 1.00 0.00 O ATOM 297 CB HIS A 19 11.657 4.037 -1.302 1.00 0.00 C ATOM 298 CG HIS A 19 12.379 5.374 -1.278 1.00 0.00 C ATOM 299 ND1 HIS A 19 11.762 6.600 -1.519 1.00 0.00 N ATOM 300 CD2 HIS A 19 13.683 5.660 -1.038 1.00 0.00 C ATOM 301 CE1 HIS A 19 12.668 7.562 -1.427 1.00 0.00 C ATOM 302 NE2 HIS A 19 13.831 7.017 -1.136 1.00 0.00 N ATOM 0 H HIS A 19 9.813 2.052 -0.335 1.00 0.00 H new ATOM 0 HA HIS A 19 12.011 3.672 0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.323 3.282 -1.719 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.799 4.109 -1.970 1.00 0.00 H new ATOM 0 HD2 HIS A 19 14.462 4.947 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.484 8.617 -1.567 1.00 0.00 H new ATOM 0 HE2 HIS A 19 14.705 7.526 -1.004 1.00 0.00 H new ATOM 311 N VAL A 20 9.959 4.895 1.699 1.00 0.00 N ATOM 312 CA VAL A 20 8.857 5.709 2.184 1.00 0.00 C ATOM 313 C VAL A 20 9.095 7.159 1.796 1.00 0.00 C ATOM 314 O VAL A 20 9.875 7.870 2.432 1.00 0.00 O ATOM 315 CB VAL A 20 8.699 5.600 3.722 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.523 6.443 4.209 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.524 4.146 4.142 1.00 0.00 C ATOM 0 H VAL A 20 10.702 4.741 2.381 1.00 0.00 H new ATOM 0 HA VAL A 20 7.937 5.343 1.728 1.00 0.00 H new ATOM 0 HB VAL A 20 9.608 5.985 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.432 6.350 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.691 7.488 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.605 6.094 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.415 4.091 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.634 3.734 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.398 3.571 3.836 1.00 0.00 H new ATOM 327 N SER A 21 8.506 7.561 0.725 1.00 0.00 N ATOM 328 CA SER A 21 8.651 8.894 0.247 1.00 0.00 C ATOM 329 C SER A 21 7.750 9.843 1.070 1.00 0.00 C ATOM 330 O SER A 21 6.536 9.816 0.929 1.00 0.00 O ATOM 331 CB SER A 21 8.300 8.922 -1.236 1.00 0.00 C ATOM 332 OG SER A 21 8.993 7.870 -1.949 1.00 0.00 O ATOM 0 H SER A 21 7.905 6.971 0.150 1.00 0.00 H new ATOM 0 HA SER A 21 9.679 9.236 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.224 8.804 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.566 9.891 -1.659 1.00 0.00 H new ATOM 0 HG SER A 21 9.875 7.728 -1.547 1.00 0.00 H new ATOM 338 N GLN A 22 8.368 10.658 1.928 1.00 0.00 N ATOM 339 CA GLN A 22 7.671 11.615 2.830 1.00 0.00 C ATOM 340 C GLN A 22 7.184 12.878 2.102 1.00 0.00 C ATOM 341 O GLN A 22 6.804 13.869 2.727 1.00 0.00 O ATOM 342 CB GLN A 22 8.540 12.007 4.033 1.00 0.00 C ATOM 343 CG GLN A 22 8.727 10.912 5.086 1.00 0.00 C ATOM 344 CD GLN A 22 7.433 10.485 5.805 1.00 0.00 C ATOM 345 OE1 GLN A 22 6.481 11.391 5.964 1.00 0.00 O flip ATOM 346 NE2 GLN A 22 7.308 9.340 6.239 1.00 0.00 N flip ATOM 0 H GLN A 22 9.383 10.682 2.027 1.00 0.00 H new ATOM 0 HA GLN A 22 6.792 11.083 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.522 12.310 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.096 12.879 4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.166 10.037 4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.443 11.261 5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.055 8.659 6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.457 9.072 6.733 1.00 0.00 H new ATOM 355 N VAL A 23 7.160 12.824 0.819 1.00 0.00 N ATOM 356 CA VAL A 23 6.740 13.948 0.012 1.00 0.00 C ATOM 357 C VAL A 23 5.414 13.617 -0.602 1.00 0.00 C ATOM 358 O VAL A 23 5.077 12.449 -0.706 1.00 0.00 O ATOM 359 CB VAL A 23 7.788 14.372 -1.059 1.00 0.00 C ATOM 360 CG1 VAL A 23 8.975 15.032 -0.385 1.00 0.00 C ATOM 361 CG2 VAL A 23 8.263 13.180 -1.873 1.00 0.00 C ATOM 0 H VAL A 23 7.430 12.000 0.281 1.00 0.00 H new ATOM 0 HA VAL A 23 6.646 14.820 0.660 1.00 0.00 H new ATOM 0 HB VAL A 23 7.308 15.078 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.705 15.326 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.640 15.915 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.435 14.330 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.993 13.511 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.723 12.447 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.413 12.725 -2.382 1.00 0.00 H new ATOM 371 N SER A 24 4.652 14.601 -0.974 1.00 0.00 N ATOM 372 CA SER A 24 3.313 14.331 -1.418 1.00 0.00 C ATOM 373 C SER A 24 3.155 14.299 -2.942 1.00 0.00 C ATOM 374 O SER A 24 3.852 15.005 -3.688 1.00 0.00 O ATOM 375 CB SER A 24 2.342 15.302 -0.785 1.00 0.00 C ATOM 376 OG SER A 24 2.491 15.328 0.638 1.00 0.00 O ATOM 0 H SER A 24 4.926 15.584 -0.981 1.00 0.00 H new ATOM 0 HA SER A 24 3.079 13.320 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.507 16.301 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.321 15.019 -1.041 1.00 0.00 H new ATOM 0 HG SER A 24 1.853 15.965 1.022 1.00 0.00 H new ATOM 382 N ASN A 25 2.218 13.488 -3.351 1.00 0.00 N ATOM 383 CA ASN A 25 1.829 13.192 -4.714 1.00 0.00 C ATOM 384 C ASN A 25 0.412 12.692 -4.654 1.00 0.00 C ATOM 385 O ASN A 25 -0.128 12.491 -3.553 1.00 0.00 O ATOM 386 CB ASN A 25 2.666 12.022 -5.284 1.00 0.00 C ATOM 387 CG ASN A 25 3.958 12.366 -6.009 1.00 0.00 C ATOM 388 OD1 ASN A 25 4.369 11.463 -6.859 1.00 0.00 O flip ATOM 389 ND2 ASN A 25 4.598 13.387 -5.786 1.00 0.00 N flip ATOM 0 H ASN A 25 1.652 12.967 -2.681 1.00 0.00 H new ATOM 0 HA ASN A 25 1.962 14.081 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.912 11.352 -4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.034 11.461 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.248 14.072 -5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.480 13.552 -6.270 1.00 0.00 H new ATOM 396 N THR A 26 -0.202 12.505 -5.782 1.00 0.00 N ATOM 397 CA THR A 26 -1.442 11.804 -5.817 1.00 0.00 C ATOM 398 C THR A 26 -1.098 10.315 -5.903 1.00 0.00 C ATOM 399 O THR A 26 0.088 9.965 -6.113 1.00 0.00 O ATOM 400 CB THR A 26 -2.307 12.235 -7.022 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.540 12.134 -8.231 1.00 0.00 O ATOM 402 CG2 THR A 26 -2.814 13.660 -6.853 1.00 0.00 C ATOM 0 H THR A 26 0.137 12.829 -6.688 1.00 0.00 H new ATOM 0 HA THR A 26 -2.029 12.026 -4.926 1.00 0.00 H new ATOM 0 HB THR A 26 -3.169 11.570 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.093 12.407 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.420 13.936 -7.716 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.420 13.726 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.966 14.341 -6.772 1.00 0.00 H new ATOM 410 N TRP A 27 -2.072 9.457 -5.751 1.00 0.00 N ATOM 411 CA TRP A 27 -1.844 8.017 -5.766 1.00 0.00 C ATOM 412 C TRP A 27 -1.175 7.571 -7.080 1.00 0.00 C ATOM 413 O TRP A 27 -0.154 6.867 -7.068 1.00 0.00 O ATOM 414 CB TRP A 27 -3.172 7.291 -5.549 1.00 0.00 C ATOM 415 CG TRP A 27 -3.083 5.802 -5.564 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.799 4.977 -4.523 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.291 4.972 -6.692 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.805 3.676 -4.945 1.00 0.00 N ATOM 419 CE2 TRP A 27 -3.110 3.646 -6.284 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.611 5.239 -8.012 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -3.241 2.580 -7.168 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.739 4.212 -8.890 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.557 2.883 -8.473 1.00 0.00 C ATOM 0 H TRP A 27 -3.046 9.725 -5.613 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.161 7.759 -4.956 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.590 7.606 -4.593 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.873 7.606 -6.322 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.598 5.300 -3.512 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.614 2.862 -4.361 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.758 6.257 -8.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.101 1.559 -6.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.984 4.419 -9.921 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.667 2.083 -9.190 1.00 0.00 H new ATOM 434 N GLU A 28 -1.724 8.028 -8.196 1.00 0.00 N ATOM 435 CA GLU A 28 -1.217 7.657 -9.514 1.00 0.00 C ATOM 436 C GLU A 28 0.169 8.235 -9.741 1.00 0.00 C ATOM 437 O GLU A 28 1.054 7.570 -10.269 1.00 0.00 O ATOM 438 CB GLU A 28 -2.135 8.167 -10.603 1.00 0.00 C ATOM 439 CG GLU A 28 -3.545 7.652 -10.575 1.00 0.00 C ATOM 440 CD GLU A 28 -4.345 8.276 -11.676 1.00 0.00 C ATOM 441 OE1 GLU A 28 -4.236 7.824 -12.839 1.00 0.00 O ATOM 442 OE2 GLU A 28 -5.027 9.295 -11.425 1.00 0.00 O ATOM 0 H GLU A 28 -2.525 8.660 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.171 6.569 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.166 9.255 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.696 7.913 -11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.546 6.568 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.003 7.876 -9.611 1.00 0.00 H new ATOM 449 N GLU A 29 0.353 9.471 -9.317 1.00 0.00 N ATOM 450 CA GLU A 29 1.593 10.170 -9.480 1.00 0.00 C ATOM 451 C GLU A 29 2.712 9.436 -8.723 1.00 0.00 C ATOM 452 O GLU A 29 3.802 9.241 -9.249 1.00 0.00 O ATOM 453 CB GLU A 29 1.403 11.577 -8.952 1.00 0.00 C ATOM 454 CG GLU A 29 2.487 12.556 -9.288 1.00 0.00 C ATOM 455 CD GLU A 29 2.627 12.784 -10.763 1.00 0.00 C ATOM 456 OE1 GLU A 29 1.745 13.430 -11.365 1.00 0.00 O ATOM 457 OE2 GLU A 29 3.625 12.321 -11.357 1.00 0.00 O ATOM 0 H GLU A 29 -0.369 10.016 -8.845 1.00 0.00 H new ATOM 0 HA GLU A 29 1.882 10.210 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.459 11.964 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.309 11.527 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.277 13.506 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.434 12.193 -8.890 1.00 0.00 H new ATOM 464 N GLY A 30 2.416 9.007 -7.488 1.00 0.00 N ATOM 465 CA GLY A 30 3.393 8.262 -6.694 1.00 0.00 C ATOM 466 C GLY A 30 3.688 6.914 -7.293 1.00 0.00 C ATOM 467 O GLY A 30 4.823 6.451 -7.257 1.00 0.00 O ATOM 0 H GLY A 30 1.520 9.162 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.316 8.837 -6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.015 8.134 -5.679 1.00 0.00 H new ATOM 471 N LEU A 31 2.662 6.306 -7.863 1.00 0.00 N ATOM 472 CA LEU A 31 2.769 5.024 -8.541 1.00 0.00 C ATOM 473 C LEU A 31 3.838 5.158 -9.650 1.00 0.00 C ATOM 474 O LEU A 31 4.794 4.369 -9.725 1.00 0.00 O ATOM 475 CB LEU A 31 1.381 4.692 -9.159 1.00 0.00 C ATOM 476 CG LEU A 31 1.073 3.252 -9.630 1.00 0.00 C ATOM 477 CD1 LEU A 31 -0.339 3.187 -10.167 1.00 0.00 C ATOM 478 CD2 LEU A 31 2.037 2.761 -10.691 1.00 0.00 C ATOM 0 H LEU A 31 1.718 6.693 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 31 3.059 4.227 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.624 4.962 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.241 5.351 -10.016 1.00 0.00 H new ATOM 0 HG LEU A 31 1.187 2.601 -8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.556 2.172 -10.499 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.040 3.469 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.440 3.873 -11.008 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.771 1.745 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.983 3.414 -11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.052 2.770 -10.293 1.00 0.00 H new ATOM 490 N VAL A 32 3.688 6.199 -10.464 1.00 0.00 N ATOM 491 CA VAL A 32 4.595 6.469 -11.573 1.00 0.00 C ATOM 492 C VAL A 32 6.005 6.810 -11.054 1.00 0.00 C ATOM 493 O VAL A 32 7.011 6.458 -11.682 1.00 0.00 O ATOM 494 CB VAL A 32 4.038 7.589 -12.501 1.00 0.00 C ATOM 495 CG1 VAL A 32 4.963 7.858 -13.680 1.00 0.00 C ATOM 496 CG2 VAL A 32 2.659 7.198 -13.009 1.00 0.00 C ATOM 0 H VAL A 32 2.933 6.879 -10.372 1.00 0.00 H new ATOM 0 HA VAL A 32 4.672 5.563 -12.175 1.00 0.00 H new ATOM 0 HB VAL A 32 3.971 8.505 -11.914 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.539 8.645 -14.303 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.939 8.173 -13.312 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.074 6.948 -14.270 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.274 7.985 -13.658 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.729 6.266 -13.571 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.985 7.062 -12.163 1.00 0.00 H new ATOM 506 N ASP A 33 6.076 7.466 -9.900 1.00 0.00 N ATOM 507 CA ASP A 33 7.360 7.727 -9.231 1.00 0.00 C ATOM 508 C ASP A 33 8.086 6.457 -8.888 1.00 0.00 C ATOM 509 O ASP A 33 9.303 6.373 -9.049 1.00 0.00 O ATOM 510 CB ASP A 33 7.233 8.630 -7.990 1.00 0.00 C ATOM 511 CG ASP A 33 7.421 10.102 -8.283 1.00 0.00 C ATOM 512 OD1 ASP A 33 8.576 10.561 -8.311 1.00 0.00 O ATOM 513 OD2 ASP A 33 6.446 10.840 -8.470 1.00 0.00 O ATOM 0 H ASP A 33 5.263 7.829 -9.403 1.00 0.00 H new ATOM 0 HA ASP A 33 7.955 8.277 -9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.250 8.481 -7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.970 8.320 -7.250 1.00 0.00 H new ATOM 518 N CYS A 34 7.354 5.457 -8.451 1.00 0.00 N ATOM 519 CA CYS A 34 7.951 4.172 -8.141 1.00 0.00 C ATOM 520 C CYS A 34 8.502 3.532 -9.415 1.00 0.00 C ATOM 521 O CYS A 34 9.597 2.941 -9.406 1.00 0.00 O ATOM 522 CB CYS A 34 6.946 3.253 -7.453 1.00 0.00 C ATOM 523 SG CYS A 34 6.230 3.951 -5.925 1.00 0.00 S ATOM 0 H CYS A 34 6.346 5.506 -8.302 1.00 0.00 H new ATOM 0 HA CYS A 34 8.777 4.329 -7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.139 3.027 -8.150 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.436 2.309 -7.215 1.00 0.00 H new ATOM 528 N ASP A 35 7.779 3.718 -10.534 1.00 0.00 N ATOM 529 CA ASP A 35 8.203 3.203 -11.852 1.00 0.00 C ATOM 530 C ASP A 35 9.553 3.750 -12.247 1.00 0.00 C ATOM 531 O ASP A 35 10.333 3.078 -12.926 1.00 0.00 O ATOM 532 CB ASP A 35 7.192 3.527 -12.972 1.00 0.00 C ATOM 533 CG ASP A 35 6.105 2.503 -13.140 1.00 0.00 C ATOM 534 OD1 ASP A 35 6.421 1.368 -13.509 1.00 0.00 O ATOM 535 OD2 ASP A 35 4.912 2.822 -12.987 1.00 0.00 O ATOM 0 H ASP A 35 6.893 4.224 -10.553 1.00 0.00 H new ATOM 0 HA ASP A 35 8.259 2.120 -11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.735 4.494 -12.764 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.731 3.626 -13.914 1.00 0.00 H new ATOM 540 N GLY A 36 9.840 4.951 -11.780 1.00 0.00 N ATOM 541 CA GLY A 36 11.084 5.622 -12.081 1.00 0.00 C ATOM 542 C GLY A 36 12.310 4.868 -11.588 1.00 0.00 C ATOM 543 O GLY A 36 13.363 4.902 -12.221 1.00 0.00 O ATOM 0 H GLY A 36 9.213 5.487 -11.180 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.162 5.762 -13.159 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.071 6.615 -11.631 1.00 0.00 H new ATOM 547 N LYS A 37 12.175 4.154 -10.481 1.00 0.00 N ATOM 548 CA LYS A 37 13.318 3.409 -9.941 1.00 0.00 C ATOM 549 C LYS A 37 13.265 1.966 -10.396 1.00 0.00 C ATOM 550 O LYS A 37 14.144 1.168 -10.062 1.00 0.00 O ATOM 551 CB LYS A 37 13.369 3.405 -8.397 1.00 0.00 C ATOM 552 CG LYS A 37 13.271 4.759 -7.709 1.00 0.00 C ATOM 553 CD LYS A 37 11.825 5.199 -7.544 1.00 0.00 C ATOM 554 CE LYS A 37 11.715 6.506 -6.789 1.00 0.00 C ATOM 555 NZ LYS A 37 12.335 7.628 -7.516 1.00 0.00 N ATOM 0 H LYS A 37 11.311 4.070 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 37 14.205 3.918 -10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.557 2.777 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.301 2.932 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.750 4.707 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.815 5.504 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.364 5.307 -8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.269 4.426 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.664 6.730 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.191 6.401 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.118 8.520 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.366 7.493 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.960 7.663 -8.485 1.00 0.00 H new ATOM 569 N GLY A 38 12.236 1.635 -11.154 1.00 0.00 N ATOM 570 CA GLY A 38 12.025 0.263 -11.537 1.00 0.00 C ATOM 571 C GLY A 38 11.388 -0.484 -10.391 1.00 0.00 C ATOM 572 O GLY A 38 11.730 -1.618 -10.092 1.00 0.00 O ATOM 0 H GLY A 38 11.543 2.294 -11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.385 0.214 -12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.974 -0.201 -11.806 1.00 0.00 H new ATOM 576 N ALA A 39 10.496 0.188 -9.716 1.00 0.00 N ATOM 577 CA ALA A 39 9.816 -0.364 -8.582 1.00 0.00 C ATOM 578 C ALA A 39 8.324 -0.146 -8.733 1.00 0.00 C ATOM 579 O ALA A 39 7.884 0.501 -9.685 1.00 0.00 O ATOM 580 CB ALA A 39 10.324 0.301 -7.325 1.00 0.00 C ATOM 0 H ALA A 39 10.220 1.144 -9.942 1.00 0.00 H new ATOM 0 HA ALA A 39 10.008 -1.435 -8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.809 -0.116 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.396 0.127 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.134 1.373 -7.378 1.00 0.00 H new ATOM 586 N THR A 40 7.564 -0.655 -7.826 1.00 0.00 N ATOM 587 CA THR A 40 6.142 -0.529 -7.860 1.00 0.00 C ATOM 588 C THR A 40 5.629 0.142 -6.585 1.00 0.00 C ATOM 589 O THR A 40 6.359 0.269 -5.608 1.00 0.00 O ATOM 590 CB THR A 40 5.492 -1.913 -8.067 1.00 0.00 C ATOM 591 OG1 THR A 40 6.302 -2.932 -7.438 1.00 0.00 O ATOM 592 CG2 THR A 40 5.321 -2.230 -9.542 1.00 0.00 C ATOM 0 H THR A 40 7.916 -1.180 -7.025 1.00 0.00 H new ATOM 0 HA THR A 40 5.864 0.106 -8.701 1.00 0.00 H new ATOM 0 HB THR A 40 4.503 -1.894 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.885 -3.809 -7.570 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.860 -3.212 -9.652 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.684 -1.476 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.296 -2.230 -10.030 1.00 0.00 H new ATOM 600 N LEU A 41 4.421 0.635 -6.625 1.00 0.00 N ATOM 601 CA LEU A 41 3.804 1.247 -5.467 1.00 0.00 C ATOM 602 C LEU A 41 3.445 0.110 -4.496 1.00 0.00 C ATOM 603 O LEU A 41 2.744 -0.813 -4.890 1.00 0.00 O ATOM 604 CB LEU A 41 2.558 2.031 -5.925 1.00 0.00 C ATOM 605 CG LEU A 41 1.888 2.975 -4.920 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.824 4.091 -4.492 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.626 3.566 -5.515 1.00 0.00 C ATOM 0 H LEU A 41 3.832 0.627 -7.458 1.00 0.00 H new ATOM 0 HA LEU A 41 4.467 1.951 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.837 2.619 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.811 1.308 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 41 1.634 2.388 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.315 4.740 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.710 3.663 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.120 4.672 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.161 4.234 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.876 4.125 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.068 2.764 -5.767 1.00 0.00 H new ATOM 619 N MET A 42 3.943 0.227 -3.250 1.00 0.00 N ATOM 620 CA MET A 42 3.910 -0.804 -2.151 1.00 0.00 C ATOM 621 C MET A 42 2.845 -1.911 -2.282 1.00 0.00 C ATOM 622 O MET A 42 1.649 -1.630 -2.324 1.00 0.00 O ATOM 623 CB MET A 42 3.765 -0.103 -0.796 1.00 0.00 C ATOM 624 CG MET A 42 3.652 -1.042 0.400 1.00 0.00 C ATOM 625 SD MET A 42 5.080 -2.079 0.590 1.00 0.00 S ATOM 626 CE MET A 42 4.518 -3.177 1.880 1.00 0.00 C ATOM 0 H MET A 42 4.408 1.083 -2.949 1.00 0.00 H new ATOM 0 HA MET A 42 4.860 -1.331 -2.238 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.624 0.551 -0.647 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.881 0.534 -0.825 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.511 -0.454 1.307 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.766 -1.667 0.284 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.378 -3.630 2.372 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.937 -2.613 2.610 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.895 -3.959 1.446 1.00 0.00 H new ATOM 636 N LEU A 43 3.312 -3.168 -2.272 1.00 0.00 N ATOM 637 CA LEU A 43 2.471 -4.360 -2.397 1.00 0.00 C ATOM 638 C LEU A 43 2.593 -5.198 -1.117 1.00 0.00 C ATOM 639 O LEU A 43 3.606 -5.862 -0.874 1.00 0.00 O ATOM 640 CB LEU A 43 2.872 -5.247 -3.612 1.00 0.00 C ATOM 641 CG LEU A 43 2.791 -4.643 -5.030 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.530 -3.871 -5.232 1.00 0.00 C ATOM 643 CD2 LEU A 43 3.994 -3.818 -5.394 1.00 0.00 C ATOM 0 H LEU A 43 4.304 -3.385 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 43 1.447 -4.021 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.897 -5.581 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.241 -6.136 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 43 2.781 -5.493 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.512 -3.462 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.673 -4.530 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.483 -3.056 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.873 -3.423 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.095 -2.992 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.888 -4.440 -5.353 1.00 0.00 H new ATOM 655 N ILE A 44 1.577 -5.160 -0.313 1.00 0.00 N ATOM 656 CA ILE A 44 1.576 -5.826 0.977 1.00 0.00 C ATOM 657 C ILE A 44 1.110 -7.273 0.815 1.00 0.00 C ATOM 658 O ILE A 44 0.065 -7.528 0.226 1.00 0.00 O ATOM 659 CB ILE A 44 0.623 -5.092 1.947 1.00 0.00 C ATOM 660 CG1 ILE A 44 0.934 -3.588 1.931 1.00 0.00 C ATOM 661 CG2 ILE A 44 0.762 -5.650 3.368 1.00 0.00 C ATOM 662 CD1 ILE A 44 -0.060 -2.750 2.676 1.00 0.00 C ATOM 0 H ILE A 44 0.711 -4.664 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 44 2.589 -5.812 1.380 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.405 -5.250 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.923 -3.428 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.977 -3.248 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.083 -5.120 4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.515 -6.712 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.787 -5.516 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.231 -1.701 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.048 -2.878 2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.087 -3.061 3.720 1.00 0.00 H new ATOM 674 N GLN A 45 1.894 -8.203 1.318 1.00 0.00 N ATOM 675 CA GLN A 45 1.551 -9.614 1.240 1.00 0.00 C ATOM 676 C GLN A 45 0.823 -10.064 2.496 1.00 0.00 C ATOM 677 O GLN A 45 -0.271 -10.629 2.427 1.00 0.00 O ATOM 678 CB GLN A 45 2.805 -10.463 1.078 1.00 0.00 C ATOM 679 CG GLN A 45 2.526 -11.961 1.057 1.00 0.00 C ATOM 680 CD GLN A 45 3.781 -12.784 1.113 1.00 0.00 C ATOM 681 OE1 GLN A 45 4.828 -12.369 0.643 1.00 0.00 O ATOM 682 NE2 GLN A 45 3.692 -13.944 1.678 1.00 0.00 N ATOM 0 H GLN A 45 2.778 -8.009 1.788 1.00 0.00 H new ATOM 0 HA GLN A 45 0.902 -9.745 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.307 -10.182 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.493 -10.241 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.888 -12.220 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.972 -12.211 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.800 -14.258 2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.514 -14.545 1.742 1.00 0.00 H new ATOM 691 N ASP A 46 1.444 -9.817 3.633 1.00 0.00 N ATOM 692 CA ASP A 46 0.925 -10.254 4.905 1.00 0.00 C ATOM 693 C ASP A 46 1.213 -9.220 5.965 1.00 0.00 C ATOM 694 O ASP A 46 1.725 -8.131 5.661 1.00 0.00 O ATOM 695 CB ASP A 46 1.477 -11.642 5.317 1.00 0.00 C ATOM 696 CG ASP A 46 2.981 -11.700 5.480 1.00 0.00 C ATOM 697 OD1 ASP A 46 3.512 -11.306 6.550 1.00 0.00 O ATOM 698 OD2 ASP A 46 3.654 -12.178 4.550 1.00 0.00 O ATOM 0 H ASP A 46 2.325 -9.306 3.696 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.155 -10.364 4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.011 -11.939 6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.178 -12.374 4.567 1.00 0.00 H new ATOM 703 N GLN A 47 0.928 -9.565 7.196 1.00 0.00 N ATOM 704 CA GLN A 47 0.951 -8.628 8.290 1.00 0.00 C ATOM 705 C GLN A 47 2.346 -8.178 8.699 1.00 0.00 C ATOM 706 O GLN A 47 2.518 -7.017 9.096 1.00 0.00 O ATOM 707 CB GLN A 47 0.137 -9.159 9.461 1.00 0.00 C ATOM 708 CG GLN A 47 -0.065 -8.156 10.585 1.00 0.00 C ATOM 709 CD GLN A 47 -1.343 -8.389 11.366 1.00 0.00 C ATOM 710 OE1 GLN A 47 -2.357 -8.891 10.701 1.00 0.00 O flip ATOM 711 NE2 GLN A 47 -1.418 -8.105 12.568 1.00 0.00 N flip ATOM 0 H GLN A 47 0.671 -10.514 7.469 1.00 0.00 H new ATOM 0 HA GLN A 47 0.477 -7.716 7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.839 -9.479 9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.633 -10.043 9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.784 -8.206 11.266 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.080 -7.149 10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.608 -7.716 13.052 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.289 -8.260 13.075 1.00 0.00 H new ATOM 720 N GLU A 48 3.349 -9.042 8.562 1.00 0.00 N ATOM 721 CA GLU A 48 4.711 -8.657 8.931 1.00 0.00 C ATOM 722 C GLU A 48 5.213 -7.522 8.094 1.00 0.00 C ATOM 723 O GLU A 48 6.049 -6.733 8.549 1.00 0.00 O ATOM 724 CB GLU A 48 5.711 -9.781 8.839 1.00 0.00 C ATOM 725 CG GLU A 48 5.634 -10.821 9.914 1.00 0.00 C ATOM 726 CD GLU A 48 6.920 -11.582 9.962 1.00 0.00 C ATOM 727 OE1 GLU A 48 7.075 -12.554 9.213 1.00 0.00 O ATOM 728 OE2 GLU A 48 7.845 -11.168 10.715 1.00 0.00 O ATOM 0 H GLU A 48 3.250 -9.993 8.207 1.00 0.00 H new ATOM 0 HA GLU A 48 4.630 -8.357 9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.585 -10.274 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.713 -9.351 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.441 -10.350 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.804 -11.500 9.719 1.00 0.00 H new ATOM 735 N GLU A 49 4.708 -7.430 6.871 1.00 0.00 N ATOM 736 CA GLU A 49 5.114 -6.373 5.986 1.00 0.00 C ATOM 737 C GLU A 49 4.761 -5.044 6.605 1.00 0.00 C ATOM 738 O GLU A 49 5.641 -4.245 6.901 1.00 0.00 O ATOM 739 CB GLU A 49 4.451 -6.515 4.612 1.00 0.00 C ATOM 740 CG GLU A 49 4.755 -7.833 3.898 1.00 0.00 C ATOM 741 CD GLU A 49 6.243 -8.137 3.744 1.00 0.00 C ATOM 742 OE1 GLU A 49 7.090 -7.258 3.998 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.567 -9.271 3.368 1.00 0.00 O ATOM 0 H GLU A 49 4.021 -8.075 6.481 1.00 0.00 H new ATOM 0 HA GLU A 49 6.192 -6.433 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.372 -6.421 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.775 -5.689 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.285 -8.648 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.297 -7.811 2.909 1.00 0.00 H new ATOM 750 N LEU A 50 3.490 -4.872 6.945 1.00 0.00 N ATOM 751 CA LEU A 50 3.050 -3.616 7.525 1.00 0.00 C ATOM 752 C LEU A 50 3.597 -3.373 8.895 1.00 0.00 C ATOM 753 O LEU A 50 3.753 -2.230 9.292 1.00 0.00 O ATOM 754 CB LEU A 50 1.552 -3.415 7.505 1.00 0.00 C ATOM 755 CG LEU A 50 0.949 -3.129 6.151 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.550 -2.929 6.290 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.615 -1.895 5.539 1.00 0.00 C ATOM 0 H LEU A 50 2.759 -5.574 6.831 1.00 0.00 H new ATOM 0 HA LEU A 50 3.475 -2.864 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.078 -4.308 7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.305 -2.590 8.174 1.00 0.00 H new ATOM 0 HG LEU A 50 1.121 -3.975 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.982 -2.723 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.001 -3.832 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.745 -2.089 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.177 -1.692 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.459 -1.036 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.684 -2.076 5.427 1.00 0.00 H new ATOM 769 N ARG A 51 3.904 -4.426 9.615 1.00 0.00 N ATOM 770 CA ARG A 51 4.514 -4.267 10.912 1.00 0.00 C ATOM 771 C ARG A 51 5.874 -3.636 10.773 1.00 0.00 C ATOM 772 O ARG A 51 6.230 -2.750 11.547 1.00 0.00 O ATOM 773 CB ARG A 51 4.586 -5.570 11.659 1.00 0.00 C ATOM 774 CG ARG A 51 3.230 -6.090 12.009 1.00 0.00 C ATOM 775 CD ARG A 51 3.309 -7.291 12.884 1.00 0.00 C ATOM 776 NE ARG A 51 3.762 -6.970 14.249 1.00 0.00 N ATOM 777 CZ ARG A 51 3.393 -7.655 15.336 1.00 0.00 C ATOM 778 NH1 ARG A 51 2.736 -8.801 15.204 1.00 0.00 N ATOM 779 NH2 ARG A 51 3.717 -7.217 16.545 1.00 0.00 N ATOM 0 H ARG A 51 3.743 -5.392 9.328 1.00 0.00 H new ATOM 0 HA ARG A 51 3.884 -3.602 11.502 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.111 -6.307 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.168 -5.434 12.570 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.660 -5.310 12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.690 -6.340 11.096 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.329 -7.765 12.933 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.992 -8.015 12.440 1.00 0.00 H new ATOM 0 HE ARG A 51 4.394 -6.179 14.372 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.514 -9.157 14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.454 -9.325 16.032 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.250 -6.354 16.649 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.433 -7.743 17.371 1.00 0.00 H new ATOM 793 N PHE A 52 6.600 -4.025 9.722 1.00 0.00 N ATOM 794 CA PHE A 52 7.887 -3.428 9.456 1.00 0.00 C ATOM 795 C PHE A 52 7.694 -2.005 8.959 1.00 0.00 C ATOM 796 O PHE A 52 8.530 -1.131 9.228 1.00 0.00 O ATOM 797 CB PHE A 52 8.709 -4.244 8.449 1.00 0.00 C ATOM 798 CG PHE A 52 10.059 -3.632 8.140 1.00 0.00 C ATOM 799 CD1 PHE A 52 11.119 -3.769 9.020 1.00 0.00 C ATOM 800 CD2 PHE A 52 10.258 -2.907 6.977 1.00 0.00 C ATOM 801 CE1 PHE A 52 12.345 -3.198 8.741 1.00 0.00 C ATOM 802 CE2 PHE A 52 11.479 -2.336 6.697 1.00 0.00 C ATOM 803 CZ PHE A 52 12.525 -2.482 7.579 1.00 0.00 C ATOM 0 H PHE A 52 6.313 -4.742 9.056 1.00 0.00 H new ATOM 0 HA PHE A 52 8.451 -3.418 10.389 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.856 -5.250 8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.142 -4.342 7.523 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.986 -4.328 9.934 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.443 -2.788 6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.164 -3.313 9.436 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.616 -1.774 5.785 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.484 -2.036 7.360 1.00 0.00 H new ATOM 813 N LEU A 53 6.573 -1.759 8.254 1.00 0.00 N ATOM 814 CA LEU A 53 6.261 -0.422 7.802 1.00 0.00 C ATOM 815 C LEU A 53 6.122 0.459 8.989 1.00 0.00 C ATOM 816 O LEU A 53 6.804 1.424 9.096 1.00 0.00 O ATOM 817 CB LEU A 53 4.988 -0.328 6.905 1.00 0.00 C ATOM 818 CG LEU A 53 5.164 -0.522 5.379 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.109 0.501 4.810 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.639 -1.903 5.014 1.00 0.00 C ATOM 0 H LEU A 53 5.887 -2.469 7.996 1.00 0.00 H new ATOM 0 HA LEU A 53 7.084 -0.100 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.274 -1.073 7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.535 0.650 7.068 1.00 0.00 H new ATOM 0 HG LEU A 53 4.174 -0.388 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.214 0.342 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.715 1.501 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.083 0.402 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.743 -1.978 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.603 -2.093 5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.915 -2.640 5.360 1.00 0.00 H new ATOM 832 N LEU A 54 5.312 0.043 9.929 1.00 0.00 N ATOM 833 CA LEU A 54 5.051 0.813 11.136 1.00 0.00 C ATOM 834 C LEU A 54 6.347 1.156 11.896 1.00 0.00 C ATOM 835 O LEU A 54 6.489 2.267 12.417 1.00 0.00 O ATOM 836 CB LEU A 54 4.050 0.068 12.026 1.00 0.00 C ATOM 837 CG LEU A 54 2.708 -0.276 11.361 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.728 -0.861 12.364 1.00 0.00 C ATOM 839 CD2 LEU A 54 2.114 0.929 10.631 1.00 0.00 C ATOM 0 H LEU A 54 4.808 -0.843 9.886 1.00 0.00 H new ATOM 0 HA LEU A 54 4.610 1.765 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.513 -0.857 12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.854 0.675 12.910 1.00 0.00 H new ATOM 0 HG LEU A 54 2.904 -1.041 10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.789 -1.093 11.862 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.146 -1.772 12.792 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.545 -0.138 13.159 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.166 0.646 10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.947 1.739 11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.805 1.262 9.857 1.00 0.00 H new ATOM 851 N ASP A 55 7.298 0.226 11.904 1.00 0.00 N ATOM 852 CA ASP A 55 8.606 0.457 12.540 1.00 0.00 C ATOM 853 C ASP A 55 9.437 1.478 11.791 1.00 0.00 C ATOM 854 O ASP A 55 10.098 2.322 12.407 1.00 0.00 O ATOM 855 CB ASP A 55 9.434 -0.829 12.688 1.00 0.00 C ATOM 856 CG ASP A 55 9.038 -1.677 13.867 1.00 0.00 C ATOM 857 OD1 ASP A 55 9.447 -1.357 14.995 1.00 0.00 O ATOM 858 OD2 ASP A 55 8.339 -2.686 13.696 1.00 0.00 O ATOM 0 H ASP A 55 7.194 -0.696 11.480 1.00 0.00 H new ATOM 0 HA ASP A 55 8.368 0.839 13.533 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.334 -1.420 11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.487 -0.563 12.782 1.00 0.00 H new ATOM 863 N SER A 56 9.402 1.411 10.488 1.00 0.00 N ATOM 864 CA SER A 56 10.221 2.272 9.663 1.00 0.00 C ATOM 865 C SER A 56 9.545 3.627 9.378 1.00 0.00 C ATOM 866 O SER A 56 10.223 4.640 9.150 1.00 0.00 O ATOM 867 CB SER A 56 10.616 1.534 8.384 1.00 0.00 C ATOM 868 OG SER A 56 9.487 0.936 7.760 1.00 0.00 O ATOM 0 H SER A 56 8.811 0.764 9.966 1.00 0.00 H new ATOM 0 HA SER A 56 11.130 2.514 10.213 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.090 2.230 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.353 0.766 8.618 1.00 0.00 H new ATOM 0 HG SER A 56 9.252 0.110 8.231 1.00 0.00 H new ATOM 874 N ILE A 57 8.214 3.626 9.387 1.00 0.00 N ATOM 875 CA ILE A 57 7.409 4.825 9.220 1.00 0.00 C ATOM 876 C ILE A 57 7.677 5.782 10.369 1.00 0.00 C ATOM 877 O ILE A 57 7.779 6.998 10.158 1.00 0.00 O ATOM 878 CB ILE A 57 5.869 4.495 9.167 1.00 0.00 C ATOM 879 CG1 ILE A 57 5.475 3.722 7.893 1.00 0.00 C ATOM 880 CG2 ILE A 57 5.010 5.730 9.324 1.00 0.00 C ATOM 881 CD1 ILE A 57 5.800 4.418 6.603 1.00 0.00 C ATOM 0 H ILE A 57 7.660 2.779 9.513 1.00 0.00 H new ATOM 0 HA ILE A 57 7.689 5.283 8.271 1.00 0.00 H new ATOM 0 HB ILE A 57 5.678 3.845 10.021 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.977 2.755 7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.403 3.525 7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.958 5.449 9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.221 6.200 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.232 6.432 8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.485 3.796 5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.276 5.373 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.875 4.591 6.543 1.00 0.00 H new ATOM 893 N LYS A 58 7.770 5.222 11.580 1.00 0.00 N ATOM 894 CA LYS A 58 8.045 5.971 12.805 1.00 0.00 C ATOM 895 C LYS A 58 6.891 6.900 13.185 1.00 0.00 C ATOM 896 O LYS A 58 6.136 6.596 14.110 1.00 0.00 O ATOM 897 CB LYS A 58 9.390 6.738 12.718 1.00 0.00 C ATOM 898 CG LYS A 58 9.693 7.652 13.904 1.00 0.00 C ATOM 899 CD LYS A 58 9.764 6.881 15.206 1.00 0.00 C ATOM 900 CE LYS A 58 10.117 7.787 16.371 1.00 0.00 C ATOM 901 NZ LYS A 58 11.404 8.479 16.168 1.00 0.00 N ATOM 0 H LYS A 58 7.654 4.221 11.736 1.00 0.00 H new ATOM 0 HA LYS A 58 8.139 5.239 13.607 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.198 6.013 12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.390 7.338 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.639 8.166 13.734 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.922 8.419 13.978 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.806 6.398 15.397 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.508 6.089 15.121 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.327 8.525 16.507 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.164 7.197 17.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.738 8.864 17.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.106 7.806 15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.277 9.255 15.487 1.00 0.00 H new ATOM 915 N GLU A 59 6.743 8.001 12.441 1.00 0.00 N ATOM 916 CA GLU A 59 5.748 9.011 12.725 1.00 0.00 C ATOM 917 C GLU A 59 4.371 8.402 12.746 1.00 0.00 C ATOM 918 O GLU A 59 3.733 8.379 13.763 1.00 0.00 O ATOM 919 CB GLU A 59 5.759 10.133 11.686 1.00 0.00 C ATOM 920 CG GLU A 59 7.063 10.879 11.541 1.00 0.00 C ATOM 921 CD GLU A 59 6.925 12.036 10.587 1.00 0.00 C ATOM 922 OE1 GLU A 59 6.956 11.819 9.359 1.00 0.00 O ATOM 923 OE2 GLU A 59 6.742 13.191 11.047 1.00 0.00 O ATOM 0 H GLU A 59 7.318 8.207 11.624 1.00 0.00 H new ATOM 0 HA GLU A 59 5.996 9.429 13.701 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.495 9.709 10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.979 10.849 11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.386 11.244 12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.836 10.199 11.183 1.00 0.00 H new ATOM 930 N LYS A 60 3.946 7.881 11.582 1.00 0.00 N ATOM 931 CA LYS A 60 2.612 7.280 11.364 1.00 0.00 C ATOM 932 C LYS A 60 1.529 8.337 11.179 1.00 0.00 C ATOM 933 O LYS A 60 0.496 8.066 10.601 1.00 0.00 O ATOM 934 CB LYS A 60 2.229 6.279 12.465 1.00 0.00 C ATOM 935 CG LYS A 60 3.197 5.108 12.599 1.00 0.00 C ATOM 936 CD LYS A 60 2.787 4.154 13.709 1.00 0.00 C ATOM 937 CE LYS A 60 2.795 4.825 15.084 1.00 0.00 C ATOM 938 NZ LYS A 60 4.145 5.278 15.500 1.00 0.00 N ATOM 0 H LYS A 60 4.531 7.864 10.746 1.00 0.00 H new ATOM 0 HA LYS A 60 2.685 6.718 10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.176 6.805 13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.231 5.891 12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.244 4.566 11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.199 5.487 12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.789 3.767 13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.465 3.300 13.720 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.119 5.680 15.069 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.408 4.126 15.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.085 5.739 16.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.783 4.459 15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.515 5.954 14.802 1.00 0.00 H new ATOM 952 N TYR A 61 1.812 9.559 11.592 1.00 0.00 N ATOM 953 CA TYR A 61 0.846 10.658 11.523 1.00 0.00 C ATOM 954 C TYR A 61 0.838 11.351 10.157 1.00 0.00 C ATOM 955 O TYR A 61 0.437 12.504 10.023 1.00 0.00 O ATOM 956 CB TYR A 61 1.074 11.651 12.657 1.00 0.00 C ATOM 957 CG TYR A 61 0.859 11.037 14.022 1.00 0.00 C ATOM 958 CD1 TYR A 61 1.880 10.386 14.656 1.00 0.00 C ATOM 959 CD2 TYR A 61 -0.365 11.114 14.664 1.00 0.00 C ATOM 960 CE1 TYR A 61 1.716 9.817 15.896 1.00 0.00 C ATOM 961 CE2 TYR A 61 -0.549 10.554 15.917 1.00 0.00 C ATOM 962 CZ TYR A 61 0.503 9.905 16.528 1.00 0.00 C ATOM 963 OH TYR A 61 0.342 9.343 17.780 1.00 0.00 O ATOM 0 H TYR A 61 2.715 9.825 11.985 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.145 10.222 11.647 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.090 12.041 12.594 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.399 12.498 12.534 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.842 10.317 14.169 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.189 11.618 14.180 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.539 9.303 16.370 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.507 10.625 16.411 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.575 9.493 18.090 1.00 0.00 H new ATOM 973 N ASN A 62 1.261 10.629 9.159 1.00 0.00 N ATOM 974 CA ASN A 62 1.165 11.083 7.779 1.00 0.00 C ATOM 975 C ASN A 62 0.241 10.101 7.080 1.00 0.00 C ATOM 976 O ASN A 62 -0.396 9.280 7.745 1.00 0.00 O ATOM 977 CB ASN A 62 2.514 11.074 7.023 1.00 0.00 C ATOM 978 CG ASN A 62 3.663 11.815 7.670 1.00 0.00 C ATOM 979 OD1 ASN A 62 3.786 13.022 7.554 1.00 0.00 O ATOM 980 ND2 ASN A 62 4.575 11.074 8.252 1.00 0.00 N ATOM 0 H ASN A 62 1.684 9.707 9.267 1.00 0.00 H new ATOM 0 HA ASN A 62 0.812 12.114 7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.816 10.037 6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.351 11.498 6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.421 11.505 8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.439 10.066 8.332 1.00 0.00 H new ATOM 987 N SER A 63 0.190 10.150 5.775 1.00 0.00 N ATOM 988 CA SER A 63 -0.613 9.238 5.007 1.00 0.00 C ATOM 989 C SER A 63 0.193 8.843 3.787 1.00 0.00 C ATOM 990 O SER A 63 0.650 9.713 3.042 1.00 0.00 O ATOM 991 CB SER A 63 -1.951 9.880 4.609 1.00 0.00 C ATOM 992 OG SER A 63 -2.661 10.360 5.761 1.00 0.00 O ATOM 0 H SER A 63 0.707 10.827 5.213 1.00 0.00 H new ATOM 0 HA SER A 63 -0.858 8.356 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.770 10.705 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.564 9.151 4.079 1.00 0.00 H new ATOM 0 HG SER A 63 -3.508 10.765 5.478 1.00 0.00 H new ATOM 998 N PHE A 64 0.433 7.559 3.621 1.00 0.00 N ATOM 999 CA PHE A 64 1.273 7.083 2.531 1.00 0.00 C ATOM 1000 C PHE A 64 0.502 6.114 1.668 1.00 0.00 C ATOM 1001 O PHE A 64 0.005 5.104 2.167 1.00 0.00 O ATOM 1002 CB PHE A 64 2.506 6.357 3.072 1.00 0.00 C ATOM 1003 CG PHE A 64 3.093 6.963 4.303 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.894 8.076 4.242 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.809 6.415 5.529 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.403 8.629 5.389 1.00 0.00 C ATOM 1007 CE2 PHE A 64 3.303 6.941 6.672 1.00 0.00 C ATOM 1008 CZ PHE A 64 4.107 8.056 6.616 1.00 0.00 C ATOM 0 H PHE A 64 0.061 6.824 4.223 1.00 0.00 H new ATOM 0 HA PHE A 64 1.582 7.951 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.238 5.322 3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.269 6.335 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.125 8.519 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.175 5.542 5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.031 9.506 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.068 6.488 7.624 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.506 8.483 7.524 1.00 0.00 H new ATOM 1018 N TRP A 65 0.393 6.429 0.407 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.275 5.592 -0.565 1.00 0.00 C ATOM 1020 C TRP A 65 0.438 4.263 -0.725 1.00 0.00 C ATOM 1021 O TRP A 65 1.685 4.210 -0.755 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.274 6.252 -1.950 1.00 0.00 C ATOM 1023 CG TRP A 65 -1.008 7.544 -2.079 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.471 8.767 -2.370 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.412 7.742 -1.950 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.463 9.707 -2.442 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.661 9.103 -2.185 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.491 6.898 -1.662 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -3.929 9.635 -2.145 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.755 7.437 -1.621 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -4.960 8.795 -1.863 1.00 0.00 C ATOM 0 H TRP A 65 0.772 7.290 0.013 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.291 5.447 -0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.762 6.418 -2.246 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.700 5.546 -2.663 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.580 8.962 -2.521 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.330 10.696 -2.653 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.334 5.846 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -4.100 10.685 -2.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.599 6.801 -1.399 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.965 9.190 -1.825 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.328 3.206 -0.809 1.00 0.00 N ATOM 1043 CA ILE A 66 0.218 1.928 -1.190 1.00 0.00 C ATOM 1044 C ILE A 66 -0.496 1.502 -2.471 1.00 0.00 C ATOM 1045 O ILE A 66 -1.472 2.157 -2.858 1.00 0.00 O ATOM 1046 CB ILE A 66 0.190 0.798 -0.079 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.235 0.402 0.391 1.00 0.00 C ATOM 1048 CG2 ILE A 66 1.045 1.216 1.125 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.868 1.325 1.419 1.00 0.00 C ATOM 0 H ILE A 66 -1.330 3.204 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 66 1.289 2.058 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 66 0.608 -0.092 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.887 0.358 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.194 -0.604 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.017 0.431 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.074 1.374 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.651 2.141 1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.861 0.956 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.247 1.353 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.951 2.329 1.004 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.065 0.431 -3.120 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.616 0.062 -4.435 1.00 0.00 C ATOM 1063 C GLY A 67 -2.008 -0.560 -4.397 1.00 0.00 C ATOM 1064 O GLY A 67 -2.329 -1.405 -5.223 1.00 0.00 O ATOM 0 H GLY A 67 0.657 -0.199 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.649 0.953 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.066 -0.640 -4.915 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.822 -0.113 -3.476 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.153 -0.622 -3.280 1.00 0.00 C ATOM 1070 C LEU A 68 -5.180 0.236 -3.919 1.00 0.00 C ATOM 1071 O LEU A 68 -5.278 1.426 -3.613 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.492 -0.714 -1.799 1.00 0.00 C ATOM 1073 CG LEU A 68 -4.077 -1.968 -1.083 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.379 -1.843 0.402 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.820 -3.153 -1.670 1.00 0.00 C ATOM 0 H LEU A 68 -2.571 0.633 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.164 -1.610 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.031 0.134 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.571 -0.603 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.005 -2.119 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.075 -2.756 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.830 -0.996 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.448 -1.687 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.520 -4.064 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.893 -3.005 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.581 -3.243 -2.730 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.946 -0.350 -4.784 1.00 0.00 N ATOM 1088 CA ARG A 69 -7.093 0.308 -5.320 1.00 0.00 C ATOM 1089 C ARG A 69 -8.222 -0.668 -5.366 1.00 0.00 C ATOM 1090 O ARG A 69 -8.027 -1.842 -5.711 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.865 0.945 -6.710 1.00 0.00 C ATOM 1092 CG ARG A 69 -6.433 0.003 -7.814 1.00 0.00 C ATOM 1093 CD ARG A 69 -6.450 0.706 -9.174 1.00 0.00 C ATOM 1094 NE ARG A 69 -7.784 1.269 -9.508 1.00 0.00 N ATOM 1095 CZ ARG A 69 -8.416 1.135 -10.690 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -7.881 0.385 -11.661 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -9.601 1.726 -10.893 1.00 0.00 N ATOM 0 H ARG A 69 -5.794 -1.295 -5.137 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.325 1.144 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.789 1.434 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.110 1.725 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.430 -0.371 -7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.096 -0.862 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.711 1.507 -9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.154 -0.001 -9.949 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.261 1.802 -8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.991 -0.088 -11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.364 0.287 -12.554 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.028 2.280 -10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.076 1.622 -11.790 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.365 -0.237 -4.949 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.526 -1.053 -5.034 1.00 0.00 C ATOM 1113 C TYR A 70 -10.974 -1.018 -6.475 1.00 0.00 C ATOM 1114 O TYR A 70 -11.366 0.024 -6.993 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.581 -0.515 -4.083 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.905 -1.216 -4.119 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -13.083 -2.477 -3.578 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -13.984 -0.594 -4.668 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -14.325 -3.080 -3.605 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.211 -1.173 -4.689 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.385 -2.406 -4.163 1.00 0.00 C ATOM 1122 OH TYR A 70 -16.642 -2.952 -4.160 1.00 0.00 O ATOM 0 H TYR A 70 -9.519 0.686 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.336 -2.086 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.190 -0.569 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.742 0.539 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.246 -2.993 -3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.860 0.388 -5.099 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.462 -4.069 -3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.048 -0.649 -5.126 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.583 -3.907 -3.948 1.00 0.00 H new ATOM 1132 N THR A 71 -10.881 -2.129 -7.118 1.00 0.00 N ATOM 1133 CA THR A 71 -11.099 -2.182 -8.521 1.00 0.00 C ATOM 1134 C THR A 71 -12.515 -2.548 -8.895 1.00 0.00 C ATOM 1135 O THR A 71 -13.051 -3.564 -8.438 1.00 0.00 O ATOM 1136 CB THR A 71 -10.091 -3.143 -9.175 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.033 -4.364 -8.421 1.00 0.00 O ATOM 1138 CG2 THR A 71 -8.709 -2.515 -9.215 1.00 0.00 C ATOM 0 H THR A 71 -10.652 -3.025 -6.687 1.00 0.00 H new ATOM 0 HA THR A 71 -10.942 -1.173 -8.903 1.00 0.00 H new ATOM 0 HB THR A 71 -10.417 -3.350 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.974 -5.125 -9.035 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.008 -3.208 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.745 -1.592 -9.794 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.380 -2.294 -8.200 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.148 -1.685 -9.648 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.426 -1.981 -10.228 1.00 0.00 C ATOM 1148 C LEU A 72 -14.326 -1.883 -11.736 1.00 0.00 C ATOM 1149 O LEU A 72 -13.725 -0.936 -12.245 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.548 -1.084 -9.697 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.862 -1.205 -8.209 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -17.071 -0.391 -7.865 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -16.100 -2.642 -7.825 1.00 0.00 C ATOM 0 H LEU A 72 -12.789 -0.758 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.692 -2.997 -9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.286 -0.047 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.457 -1.304 -10.258 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.002 -0.830 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.283 -0.487 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.885 0.656 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.926 -0.749 -8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.322 -2.702 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.942 -3.036 -8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.208 -3.229 -8.044 1.00 0.00 H new ATOM 1165 N PRO A 73 -14.901 -2.840 -12.469 1.00 0.00 N ATOM 1166 CA PRO A 73 -15.625 -3.947 -11.887 1.00 0.00 C ATOM 1167 C PRO A 73 -14.699 -5.107 -11.494 1.00 0.00 C ATOM 1168 O PRO A 73 -13.837 -5.539 -12.290 1.00 0.00 O ATOM 1169 CB PRO A 73 -16.609 -4.355 -12.984 1.00 0.00 C ATOM 1170 CG PRO A 73 -16.068 -3.790 -14.270 1.00 0.00 C ATOM 1171 CD PRO A 73 -14.886 -2.912 -13.934 1.00 0.00 C ATOM 0 HA PRO A 73 -16.121 -3.671 -10.956 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.697 -5.440 -13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.605 -3.965 -12.777 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.767 -4.593 -14.942 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.836 -3.214 -14.786 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.954 -3.340 -14.303 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.983 -1.924 -14.383 1.00 0.00 H new ATOM 1179 N ASP A 74 -14.863 -5.572 -10.267 1.00 0.00 N ATOM 1180 CA ASP A 74 -14.069 -6.664 -9.689 1.00 0.00 C ATOM 1181 C ASP A 74 -14.552 -6.890 -8.269 1.00 0.00 C ATOM 1182 O ASP A 74 -14.842 -8.012 -7.866 1.00 0.00 O ATOM 1183 CB ASP A 74 -12.566 -6.333 -9.664 1.00 0.00 C ATOM 1184 CG ASP A 74 -11.716 -7.529 -9.331 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -11.640 -7.910 -8.160 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -11.138 -8.131 -10.267 1.00 0.00 O ATOM 0 H ASP A 74 -15.563 -5.200 -9.625 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.198 -7.555 -10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.268 -5.939 -10.636 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.383 -5.547 -8.932 1.00 0.00 H new ATOM 1191 N MET A 75 -14.680 -5.771 -7.540 1.00 0.00 N ATOM 1192 CA MET A 75 -15.171 -5.728 -6.138 1.00 0.00 C ATOM 1193 C MET A 75 -14.184 -6.279 -5.119 1.00 0.00 C ATOM 1194 O MET A 75 -14.527 -6.497 -3.965 1.00 0.00 O ATOM 1195 CB MET A 75 -16.574 -6.354 -5.987 1.00 0.00 C ATOM 1196 CG MET A 75 -17.719 -5.432 -6.405 1.00 0.00 C ATOM 1197 SD MET A 75 -19.292 -6.297 -6.597 1.00 0.00 S ATOM 1198 CE MET A 75 -20.373 -4.944 -7.062 1.00 0.00 C ATOM 0 H MET A 75 -14.443 -4.849 -7.907 1.00 0.00 H new ATOM 0 HA MET A 75 -15.264 -4.668 -5.904 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.619 -7.265 -6.584 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.719 -6.647 -4.947 1.00 0.00 H new ATOM 0 HG2 MET A 75 -17.833 -4.644 -5.660 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.461 -4.946 -7.346 1.00 0.00 H new ATOM 0 HE1 MET A 75 -21.384 -5.322 -7.216 1.00 0.00 H new ATOM 0 HE2 MET A 75 -20.382 -4.196 -6.269 1.00 0.00 H new ATOM 0 HE3 MET A 75 -20.011 -4.490 -7.985 1.00 0.00 H new ATOM 1208 N ASN A 76 -12.956 -6.447 -5.532 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.885 -6.784 -4.619 1.00 0.00 C ATOM 1210 C ASN A 76 -10.826 -5.712 -4.697 1.00 0.00 C ATOM 1211 O ASN A 76 -10.856 -4.850 -5.607 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.244 -8.161 -4.907 1.00 0.00 C ATOM 1213 CG ASN A 76 -12.140 -9.348 -4.599 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -12.880 -9.826 -5.445 1.00 0.00 O ATOM 1215 ND2 ASN A 76 -12.071 -9.851 -3.397 1.00 0.00 N ATOM 0 H ASN A 76 -12.666 -6.356 -6.506 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.318 -6.844 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.957 -8.202 -5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.329 -8.251 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.642 -10.659 -3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.446 -9.436 -2.706 1.00 0.00 H new ATOM 1222 N TRP A 77 -9.917 -5.736 -3.763 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.818 -4.816 -3.754 1.00 0.00 C ATOM 1224 C TRP A 77 -7.649 -5.442 -4.433 1.00 0.00 C ATOM 1225 O TRP A 77 -7.049 -6.419 -3.930 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.433 -4.418 -2.348 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.412 -3.537 -1.666 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -10.607 -3.896 -1.144 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.259 -2.142 -1.408 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.219 -2.810 -0.599 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -10.413 -1.717 -0.740 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -8.256 -1.215 -1.682 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -10.602 -0.397 -0.336 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -8.438 0.095 -1.285 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -9.604 0.494 -0.619 1.00 0.00 C ATOM 0 H TRP A 77 -9.919 -6.396 -2.985 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.126 -3.914 -4.283 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.300 -5.321 -1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.468 -3.912 -2.379 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -11.015 -4.896 -1.158 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.137 -2.812 -0.154 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.354 -1.515 -2.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.500 -0.090 0.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.669 0.824 -1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.717 1.526 -0.323 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.323 -4.921 -5.558 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.249 -5.439 -6.304 1.00 0.00 C ATOM 1248 C LYS A 78 -5.134 -4.469 -6.307 1.00 0.00 C ATOM 1249 O LYS A 78 -5.333 -3.252 -6.104 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.668 -5.794 -7.723 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.762 -6.838 -7.773 1.00 0.00 C ATOM 1252 CD LYS A 78 -8.072 -7.278 -9.191 1.00 0.00 C ATOM 1253 CE LYS A 78 -6.907 -8.025 -9.802 1.00 0.00 C ATOM 1254 NZ LYS A 78 -7.249 -8.611 -11.103 1.00 0.00 N ATOM 0 H LYS A 78 -7.796 -4.124 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.917 -6.363 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.010 -4.892 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.800 -6.159 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.462 -7.704 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.665 -6.437 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.956 -7.916 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.308 -6.406 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.063 -7.345 -9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.586 -8.814 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.423 -9.113 -11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.037 -9.280 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.530 -7.856 -11.761 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.972 -4.980 -6.491 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.829 -4.162 -6.533 1.00 0.00 C ATOM 1270 C TRP A 79 -2.477 -3.898 -7.979 1.00 0.00 C ATOM 1271 O TRP A 79 -2.958 -4.601 -8.885 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.653 -4.809 -5.825 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.913 -5.280 -4.425 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.455 -6.460 -4.065 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.623 -4.599 -3.210 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.509 -6.568 -2.715 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -2.017 -5.441 -2.164 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -1.073 -3.369 -2.899 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.878 -5.096 -0.842 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -0.938 -3.024 -1.579 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.341 -3.884 -0.571 1.00 0.00 C ATOM 0 H TRP A 79 -3.792 -5.976 -6.616 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.048 -3.227 -6.017 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.319 -5.660 -6.419 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.830 -4.095 -5.801 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.799 -7.215 -4.756 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.865 -7.373 -2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.756 -2.694 -3.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.185 -5.765 -0.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.511 -2.066 -1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.224 -3.579 0.458 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.628 -2.931 -8.186 1.00 0.00 N ATOM 1293 CA ILE A 80 -1.198 -2.507 -9.520 1.00 0.00 C ATOM 1294 C ILE A 80 -0.344 -3.573 -10.233 1.00 0.00 C ATOM 1295 O ILE A 80 -0.309 -3.639 -11.463 1.00 0.00 O ATOM 1296 CB ILE A 80 -0.377 -1.202 -9.431 1.00 0.00 C ATOM 1297 CG1 ILE A 80 0.876 -1.427 -8.565 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -1.240 -0.092 -8.839 1.00 0.00 C ATOM 1299 CD1 ILE A 80 1.843 -0.280 -8.555 1.00 0.00 C ATOM 0 H ILE A 80 -1.199 -2.397 -7.430 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.107 -2.350 -10.101 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.059 -0.907 -10.431 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.562 -1.629 -7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.393 -2.318 -8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.658 0.828 -8.777 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.110 0.071 -9.475 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.569 -0.380 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.694 -0.527 -7.920 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.191 -0.089 -9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.348 0.610 -8.168 1.00 0.00 H new ATOM 1311 N ASN A 81 0.320 -4.408 -9.452 1.00 0.00 N ATOM 1312 CA ASN A 81 1.224 -5.416 -9.994 1.00 0.00 C ATOM 1313 C ASN A 81 0.459 -6.684 -10.361 1.00 0.00 C ATOM 1314 O ASN A 81 1.001 -7.587 -11.003 1.00 0.00 O ATOM 1315 CB ASN A 81 2.353 -5.751 -9.000 1.00 0.00 C ATOM 1316 CG ASN A 81 1.865 -6.492 -7.781 1.00 0.00 C ATOM 1317 OD1 ASN A 81 0.715 -6.326 -7.361 1.00 0.00 O ATOM 1318 ND2 ASN A 81 2.717 -7.280 -7.183 1.00 0.00 N ATOM 0 H ASN A 81 0.251 -4.410 -8.434 1.00 0.00 H new ATOM 0 HA ASN A 81 1.675 -5.001 -10.895 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.108 -6.353 -9.506 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.839 -4.827 -8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.441 -7.783 -6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.658 -7.392 -7.559 1.00 0.00 H new ATOM 1325 N GLY A 82 -0.796 -6.757 -9.943 1.00 0.00 N ATOM 1326 CA GLY A 82 -1.617 -7.893 -10.284 1.00 0.00 C ATOM 1327 C GLY A 82 -1.799 -8.816 -9.115 1.00 0.00 C ATOM 1328 O GLY A 82 -2.281 -9.933 -9.257 1.00 0.00 O ATOM 0 H GLY A 82 -1.258 -6.048 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.591 -7.547 -10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.160 -8.438 -11.110 1.00 0.00 H new ATOM 1332 N SER A 83 -1.367 -8.378 -7.972 1.00 0.00 N ATOM 1333 CA SER A 83 -1.568 -9.108 -6.757 1.00 0.00 C ATOM 1334 C SER A 83 -2.968 -8.858 -6.168 1.00 0.00 C ATOM 1335 O SER A 83 -3.707 -7.960 -6.620 1.00 0.00 O ATOM 1336 CB SER A 83 -0.495 -8.715 -5.770 1.00 0.00 C ATOM 1337 OG SER A 83 0.781 -9.212 -6.169 1.00 0.00 O ATOM 0 H SER A 83 -0.862 -7.499 -7.855 1.00 0.00 H new ATOM 0 HA SER A 83 -1.501 -10.175 -6.972 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.455 -7.629 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.746 -9.102 -4.783 1.00 0.00 H new ATOM 0 HG SER A 83 0.951 -10.069 -5.726 1.00 0.00 H new ATOM 1343 N THR A 84 -3.311 -9.637 -5.165 1.00 0.00 N ATOM 1344 CA THR A 84 -4.575 -9.537 -4.483 1.00 0.00 C ATOM 1345 C THR A 84 -4.335 -9.278 -2.966 1.00 0.00 C ATOM 1346 O THR A 84 -3.452 -9.884 -2.357 1.00 0.00 O ATOM 1347 CB THR A 84 -5.374 -10.834 -4.717 1.00 0.00 C ATOM 1348 OG1 THR A 84 -5.569 -11.026 -6.131 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.718 -10.797 -4.037 1.00 0.00 C ATOM 0 H THR A 84 -2.705 -10.370 -4.797 1.00 0.00 H new ATOM 0 HA THR A 84 -5.152 -8.700 -4.875 1.00 0.00 H new ATOM 0 HB THR A 84 -4.802 -11.658 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.318 -11.641 -6.277 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.248 -11.730 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.579 -10.671 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.301 -9.963 -4.428 1.00 0.00 H new ATOM 1357 N LEU A 85 -5.068 -8.320 -2.418 1.00 0.00 N ATOM 1358 CA LEU A 85 -4.961 -7.875 -1.002 1.00 0.00 C ATOM 1359 C LEU A 85 -5.383 -8.918 0.039 1.00 0.00 C ATOM 1360 O LEU A 85 -6.371 -9.616 -0.130 1.00 0.00 O ATOM 1361 CB LEU A 85 -5.831 -6.625 -0.791 1.00 0.00 C ATOM 1362 CG LEU A 85 -5.978 -6.120 0.666 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -4.669 -5.587 1.223 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.075 -5.085 0.777 1.00 0.00 C ATOM 0 H LEU A 85 -5.776 -7.807 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.900 -7.682 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.416 -5.816 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.827 -6.833 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.258 -6.981 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.822 -5.245 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.920 -6.379 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.325 -4.754 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.155 -4.749 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.840 -4.235 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.022 -5.524 0.464 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.623 -8.968 1.132 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.992 -9.726 2.320 1.00 0.00 C ATOM 1378 C ASN A 86 -5.663 -8.752 3.289 1.00 0.00 C ATOM 1379 O ASN A 86 -4.983 -8.004 3.997 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.758 -10.322 3.027 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.119 -11.153 4.260 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.414 -11.138 5.253 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.150 -11.943 4.173 1.00 0.00 N ATOM 0 H ASN A 86 -3.731 -8.481 1.216 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.646 -10.547 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.209 -10.947 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.090 -9.513 3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.381 -12.566 4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.726 -11.939 3.331 1.00 0.00 H new ATOM 1390 N SER A 87 -6.977 -8.710 3.290 1.00 0.00 N ATOM 1391 CA SER A 87 -7.719 -7.788 4.152 1.00 0.00 C ATOM 1392 C SER A 87 -7.668 -8.205 5.644 1.00 0.00 C ATOM 1393 O SER A 87 -8.183 -7.507 6.515 1.00 0.00 O ATOM 1394 CB SER A 87 -9.156 -7.683 3.666 1.00 0.00 C ATOM 1395 OG SER A 87 -9.199 -7.305 2.299 1.00 0.00 O ATOM 0 H SER A 87 -7.565 -9.303 2.704 1.00 0.00 H new ATOM 0 HA SER A 87 -7.241 -6.810 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.661 -8.640 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.696 -6.951 4.267 1.00 0.00 H new ATOM 0 HG SER A 87 -9.929 -6.666 2.159 1.00 0.00 H new ATOM 1401 N ASP A 88 -7.037 -9.336 5.914 1.00 0.00 N ATOM 1402 CA ASP A 88 -6.944 -9.889 7.269 1.00 0.00 C ATOM 1403 C ASP A 88 -5.963 -9.149 8.139 1.00 0.00 C ATOM 1404 O ASP A 88 -5.991 -9.296 9.358 1.00 0.00 O ATOM 1405 CB ASP A 88 -6.519 -11.359 7.242 1.00 0.00 C ATOM 1406 CG ASP A 88 -7.563 -12.290 6.713 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -7.655 -12.466 5.494 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -8.288 -12.903 7.516 1.00 0.00 O ATOM 0 H ASP A 88 -6.572 -9.902 5.204 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.944 -9.783 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.621 -11.455 6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.252 -11.667 8.253 1.00 0.00 H new ATOM 1413 N VAL A 89 -5.095 -8.355 7.547 1.00 0.00 N ATOM 1414 CA VAL A 89 -4.056 -7.738 8.332 1.00 0.00 C ATOM 1415 C VAL A 89 -4.553 -6.568 9.209 1.00 0.00 C ATOM 1416 O VAL A 89 -4.298 -6.557 10.414 1.00 0.00 O ATOM 1417 CB VAL A 89 -2.818 -7.326 7.481 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -2.298 -8.508 6.696 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -3.134 -6.192 6.551 1.00 0.00 C ATOM 0 H VAL A 89 -5.089 -8.128 6.553 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.730 -8.518 9.020 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.047 -6.987 8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.433 -8.202 6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.006 -9.302 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.079 -8.874 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.245 -5.935 5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.932 -6.490 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.455 -5.326 7.129 1.00 0.00 H new ATOM 1429 N LEU A 90 -5.293 -5.640 8.628 1.00 0.00 N ATOM 1430 CA LEU A 90 -5.722 -4.425 9.308 1.00 0.00 C ATOM 1431 C LEU A 90 -7.023 -3.981 8.701 1.00 0.00 C ATOM 1432 O LEU A 90 -7.489 -4.605 7.746 1.00 0.00 O ATOM 1433 CB LEU A 90 -4.676 -3.307 9.132 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.287 -3.556 9.727 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -2.339 -2.442 9.344 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -3.363 -3.648 11.228 1.00 0.00 C ATOM 0 H LEU A 90 -5.617 -5.707 7.663 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.838 -4.627 10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.559 -3.117 8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.076 -2.395 9.576 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.915 -4.499 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.357 -2.636 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.255 -2.393 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.721 -1.493 9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.366 -3.825 11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.757 -2.715 11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.020 -4.471 11.509 1.00 0.00 H new ATOM 1448 N LYS A 91 -7.599 -2.926 9.232 1.00 0.00 N ATOM 1449 CA LYS A 91 -8.868 -2.412 8.742 1.00 0.00 C ATOM 1450 C LYS A 91 -8.828 -1.892 7.323 1.00 0.00 C ATOM 1451 O LYS A 91 -8.150 -0.915 7.019 1.00 0.00 O ATOM 1452 CB LYS A 91 -9.466 -1.352 9.642 1.00 0.00 C ATOM 1453 CG LYS A 91 -8.533 -0.202 10.000 1.00 0.00 C ATOM 1454 CD LYS A 91 -9.274 0.905 10.726 1.00 0.00 C ATOM 1455 CE LYS A 91 -10.269 1.618 9.811 1.00 0.00 C ATOM 1456 NZ LYS A 91 -11.003 2.680 10.520 1.00 0.00 N ATOM 0 H LYS A 91 -7.207 -2.399 10.012 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.510 -3.292 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.351 -0.942 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.800 -1.828 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.722 -0.571 10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.079 0.196 9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.803 0.487 11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.557 1.627 11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.738 2.048 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.977 0.893 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.668 3.139 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.531 2.266 11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.330 3.386 10.881 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.542 -2.572 6.465 1.00 0.00 N ATOM 1471 CA ILE A 92 -9.742 -2.177 5.092 1.00 0.00 C ATOM 1472 C ILE A 92 -11.126 -2.679 4.721 1.00 0.00 C ATOM 1473 O ILE A 92 -11.463 -3.838 5.025 1.00 0.00 O ATOM 1474 CB ILE A 92 -8.714 -2.845 4.118 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.290 -2.696 4.674 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -8.823 -2.204 2.728 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.182 -3.093 3.733 1.00 0.00 C ATOM 0 H ILE A 92 -10.015 -3.442 6.708 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.620 -1.098 5.003 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.939 -3.908 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.140 -1.657 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.207 -3.297 5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.106 -2.672 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.832 -2.346 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.609 -1.138 2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.219 -2.949 4.223 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.296 -4.142 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.228 -2.476 2.836 1.00 0.00 H new ATOM 1489 N THR A 93 -11.946 -1.826 4.166 1.00 0.00 N ATOM 1490 CA THR A 93 -13.271 -2.197 3.701 1.00 0.00 C ATOM 1491 C THR A 93 -13.151 -3.228 2.589 1.00 0.00 C ATOM 1492 O THR A 93 -12.132 -3.310 1.935 1.00 0.00 O ATOM 1493 CB THR A 93 -13.990 -0.936 3.198 1.00 0.00 C ATOM 1494 OG1 THR A 93 -13.987 0.009 4.251 1.00 0.00 O ATOM 1495 CG2 THR A 93 -15.426 -1.215 2.808 1.00 0.00 C ATOM 0 H THR A 93 -11.718 -0.843 4.019 1.00 0.00 H new ATOM 0 HA THR A 93 -13.848 -2.636 4.515 1.00 0.00 H new ATOM 0 HB THR A 93 -13.470 -0.569 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.151 0.520 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.894 -0.294 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 93 -15.449 -1.958 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 93 -15.971 -1.593 3.673 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.170 -4.008 2.393 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.100 -5.003 1.406 1.00 0.00 C ATOM 1505 C GLY A 94 -14.745 -4.511 0.179 1.00 0.00 C ATOM 1506 O GLY A 94 -14.075 -4.069 -0.735 1.00 0.00 O ATOM 0 H GLY A 94 -15.049 -3.964 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.060 -5.262 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.594 -5.911 1.752 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.039 -4.511 0.176 1.00 0.00 N ATOM 1511 CA ASP A 95 -16.760 -3.965 -0.941 1.00 0.00 C ATOM 1512 C ASP A 95 -17.285 -2.623 -0.539 1.00 0.00 C ATOM 1513 O ASP A 95 -17.821 -2.457 0.556 1.00 0.00 O ATOM 1514 CB ASP A 95 -17.868 -4.890 -1.505 1.00 0.00 C ATOM 1515 CG ASP A 95 -18.974 -5.223 -0.532 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -19.910 -4.419 -0.368 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -18.924 -6.319 0.093 1.00 0.00 O ATOM 0 H ASP A 95 -16.621 -4.880 0.928 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.068 -3.867 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -18.307 -4.414 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.409 -5.819 -1.842 1.00 0.00 H new ATOM 1522 N THR A 96 -17.069 -1.655 -1.367 1.00 0.00 N ATOM 1523 CA THR A 96 -17.426 -0.303 -1.016 1.00 0.00 C ATOM 1524 C THR A 96 -18.096 0.418 -2.176 1.00 0.00 C ATOM 1525 O THR A 96 -18.594 1.523 -2.022 1.00 0.00 O ATOM 1526 CB THR A 96 -16.170 0.476 -0.497 1.00 0.00 C ATOM 1527 OG1 THR A 96 -16.511 1.783 -0.054 1.00 0.00 O ATOM 1528 CG2 THR A 96 -15.098 0.581 -1.571 1.00 0.00 C ATOM 0 H THR A 96 -16.649 -1.765 -2.290 1.00 0.00 H new ATOM 0 HA THR A 96 -18.156 -0.343 -0.207 1.00 0.00 H new ATOM 0 HB THR A 96 -15.779 -0.094 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 96 -17.131 1.721 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.241 1.127 -1.177 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.784 -0.419 -1.871 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.499 1.110 -2.435 1.00 0.00 H new ATOM 1536 N GLU A 97 -18.092 -0.221 -3.348 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.743 0.310 -4.561 1.00 0.00 C ATOM 1538 C GLU A 97 -18.081 1.627 -5.061 1.00 0.00 C ATOM 1539 O GLU A 97 -18.613 2.306 -5.927 1.00 0.00 O ATOM 1540 CB GLU A 97 -20.245 0.509 -4.300 1.00 0.00 C ATOM 1541 CG GLU A 97 -20.902 -0.713 -3.671 1.00 0.00 C ATOM 1542 CD GLU A 97 -22.367 -0.524 -3.412 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -23.169 -0.546 -4.376 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -22.757 -0.367 -2.244 1.00 0.00 O ATOM 0 H GLU A 97 -17.638 -1.123 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.612 -0.422 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.384 1.369 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.745 0.741 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.763 -1.572 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -20.400 -0.945 -2.732 1.00 0.00 H new ATOM 1551 N ASN A 98 -16.904 1.938 -4.540 1.00 0.00 N ATOM 1552 CA ASN A 98 -16.166 3.153 -4.917 1.00 0.00 C ATOM 1553 C ASN A 98 -14.947 2.795 -5.762 1.00 0.00 C ATOM 1554 O ASN A 98 -14.838 1.684 -6.241 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.694 3.948 -3.667 1.00 0.00 C ATOM 1556 CG ASN A 98 -16.810 4.594 -2.865 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -17.285 5.672 -3.215 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -17.174 4.012 -1.755 1.00 0.00 N ATOM 0 H ASN A 98 -16.427 1.363 -3.845 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.849 3.778 -5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.139 3.275 -3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.000 4.725 -3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -17.870 4.452 -1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -16.763 3.117 -1.490 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.059 3.749 -5.950 1.00 0.00 N ATOM 1566 CA ASP A 99 -12.774 3.552 -6.649 1.00 0.00 C ATOM 1567 C ASP A 99 -11.669 3.978 -5.670 1.00 0.00 C ATOM 1568 O ASP A 99 -10.567 4.385 -6.033 1.00 0.00 O ATOM 1569 CB ASP A 99 -12.742 4.408 -7.943 1.00 0.00 C ATOM 1570 CG ASP A 99 -11.485 4.217 -8.795 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -11.395 3.235 -9.560 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -10.567 5.066 -8.742 1.00 0.00 O ATOM 0 H ASP A 99 -14.198 4.705 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 99 -12.633 2.513 -6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -13.616 4.165 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.825 5.460 -7.671 1.00 0.00 H new ATOM 1577 N SER A 100 -11.998 3.865 -4.404 1.00 0.00 N ATOM 1578 CA SER A 100 -11.142 4.297 -3.327 1.00 0.00 C ATOM 1579 C SER A 100 -9.827 3.499 -3.292 1.00 0.00 C ATOM 1580 O SER A 100 -9.779 2.299 -3.627 1.00 0.00 O ATOM 1581 CB SER A 100 -11.894 4.178 -1.988 1.00 0.00 C ATOM 1582 OG SER A 100 -11.151 4.713 -0.913 1.00 0.00 O ATOM 0 H SER A 100 -12.882 3.464 -4.090 1.00 0.00 H new ATOM 0 HA SER A 100 -10.877 5.341 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.850 4.697 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.116 3.129 -1.789 1.00 0.00 H new ATOM 0 HG SER A 100 -10.547 5.409 -1.247 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.784 4.181 -2.935 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.476 3.618 -2.806 1.00 0.00 C ATOM 1590 C CYS A 101 -7.019 3.787 -1.368 1.00 0.00 C ATOM 1591 O CYS A 101 -7.512 4.679 -0.662 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.542 4.281 -3.818 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.886 6.011 -4.089 1.00 0.00 S ATOM 0 H CYS A 101 -8.821 5.177 -2.718 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.473 2.551 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -5.513 4.174 -3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -6.616 3.752 -4.768 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.128 2.943 -0.914 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.764 2.959 0.483 1.00 0.00 C ATOM 1600 C ALA A 102 -4.390 3.588 0.748 1.00 0.00 C ATOM 1601 O ALA A 102 -3.479 3.555 -0.108 1.00 0.00 O ATOM 1602 CB ALA A 102 -5.906 1.560 1.108 1.00 0.00 C ATOM 0 H ALA A 102 -5.646 2.245 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.474 3.617 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.625 1.601 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.940 1.226 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.253 0.860 0.586 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.261 4.153 1.937 1.00 0.00 N ATOM 1609 CA ALA A 103 -3.057 4.797 2.413 1.00 0.00 C ATOM 1610 C ALA A 103 -2.858 4.478 3.894 1.00 0.00 C ATOM 1611 O ALA A 103 -3.829 4.296 4.639 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.140 6.325 2.229 1.00 0.00 C ATOM 0 H ALA A 103 -5.020 4.174 2.618 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.214 4.421 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.222 6.786 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.267 6.558 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.990 6.713 2.790 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.621 4.404 4.300 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.240 4.201 5.694 1.00 0.00 C ATOM 1620 C ILE A 104 -1.407 5.524 6.401 1.00 0.00 C ATOM 1621 O ILE A 104 -0.749 6.495 6.042 1.00 0.00 O ATOM 1622 CB ILE A 104 0.262 3.763 5.782 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.471 2.333 5.249 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.847 3.919 7.210 1.00 0.00 C ATOM 1625 CD1 ILE A 104 0.010 1.243 6.192 1.00 0.00 C ATOM 0 H ILE A 104 -0.824 4.483 3.668 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.858 3.426 6.147 1.00 0.00 H new ATOM 0 HB ILE A 104 0.816 4.445 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.062 2.229 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.530 2.189 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.890 3.601 7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.785 4.963 7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.278 3.302 7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.194 0.269 5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.560 1.317 7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.056 1.357 6.387 1.00 0.00 H new ATOM 1637 N SER A 105 -2.304 5.578 7.345 1.00 0.00 N ATOM 1638 CA SER A 105 -2.532 6.782 8.086 1.00 0.00 C ATOM 1639 C SER A 105 -2.797 6.390 9.533 1.00 0.00 C ATOM 1640 O SER A 105 -3.931 6.057 9.921 1.00 0.00 O ATOM 1641 CB SER A 105 -3.702 7.591 7.475 1.00 0.00 C ATOM 1642 OG SER A 105 -3.757 8.925 7.975 1.00 0.00 O ATOM 0 H SER A 105 -2.894 4.792 7.620 1.00 0.00 H new ATOM 0 HA SER A 105 -1.659 7.434 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.596 7.616 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.643 7.085 7.692 1.00 0.00 H new ATOM 0 HG SER A 105 -3.401 9.542 7.302 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.728 6.323 10.281 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.780 5.927 11.657 1.00 0.00 C ATOM 1650 C GLY A 106 -1.185 4.556 11.801 1.00 0.00 C ATOM 1651 O GLY A 106 -0.206 4.235 11.126 1.00 0.00 O ATOM 0 H GLY A 106 -0.790 6.544 9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.233 6.640 12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.812 5.927 12.009 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.774 3.745 12.645 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.354 2.347 12.806 1.00 0.00 C ATOM 1657 C ASP A 107 -2.268 1.475 11.988 1.00 0.00 C ATOM 1658 O ASP A 107 -2.238 0.244 12.079 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.418 1.890 14.283 1.00 0.00 C ATOM 1660 CG ASP A 107 -0.409 2.552 15.196 1.00 0.00 C ATOM 1661 OD1 ASP A 107 0.723 2.064 15.304 1.00 0.00 O ATOM 1662 OD2 ASP A 107 -0.757 3.559 15.872 1.00 0.00 O ATOM 0 H ASP A 107 -2.554 4.019 13.243 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.320 2.262 12.473 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.419 2.088 14.667 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.269 0.811 14.322 1.00 0.00 H new ATOM 1667 N LYS A 108 -3.077 2.119 11.171 1.00 0.00 N ATOM 1668 CA LYS A 108 -4.097 1.451 10.408 1.00 0.00 C ATOM 1669 C LYS A 108 -3.967 1.792 8.948 1.00 0.00 C ATOM 1670 O LYS A 108 -3.240 2.727 8.563 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.485 1.924 10.862 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.753 1.830 12.347 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.617 0.404 12.861 1.00 0.00 C ATOM 1674 CE LYS A 108 -5.892 0.310 14.358 1.00 0.00 C ATOM 1675 NZ LYS A 108 -7.233 0.823 14.726 1.00 0.00 N ATOM 0 H LYS A 108 -3.040 3.127 11.021 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.980 0.378 10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.615 2.961 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.239 1.337 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.058 2.476 12.883 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.757 2.197 12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.310 -0.243 12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.612 0.037 12.653 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.806 -0.729 14.675 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.131 0.872 14.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.443 0.569 15.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.249 1.858 14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.949 0.403 14.100 1.00 0.00 H new ATOM 1689 N VAL A 109 -4.684 1.063 8.147 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.780 1.346 6.755 1.00 0.00 C ATOM 1691 C VAL A 109 -6.059 2.124 6.613 1.00 0.00 C ATOM 1692 O VAL A 109 -7.033 1.830 7.297 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.906 0.069 5.895 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.629 0.366 4.431 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -4.030 -1.048 6.409 1.00 0.00 C ATOM 0 H VAL A 109 -5.221 0.250 8.448 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.886 1.871 6.418 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.937 -0.276 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.725 -0.551 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.345 1.103 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.618 0.759 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.150 -1.926 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.988 -0.729 6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.319 -1.296 7.430 1.00 0.00 H new ATOM 1705 N THR A 110 -6.056 3.116 5.811 1.00 0.00 N ATOM 1706 CA THR A 110 -7.222 3.914 5.614 1.00 0.00 C ATOM 1707 C THR A 110 -7.446 4.047 4.123 1.00 0.00 C ATOM 1708 O THR A 110 -6.574 3.687 3.357 1.00 0.00 O ATOM 1709 CB THR A 110 -7.056 5.295 6.286 1.00 0.00 C ATOM 1710 OG1 THR A 110 -5.850 5.926 5.802 1.00 0.00 O ATOM 1711 CG2 THR A 110 -6.980 5.170 7.814 1.00 0.00 C ATOM 0 H THR A 110 -5.245 3.408 5.265 1.00 0.00 H new ATOM 0 HA THR A 110 -8.090 3.442 6.074 1.00 0.00 H new ATOM 0 HB THR A 110 -7.927 5.899 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.307 5.268 5.319 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.863 6.160 8.255 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.896 4.712 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.127 4.549 8.086 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.576 4.546 3.714 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.918 4.616 2.299 1.00 0.00 C ATOM 1721 C PHE A 111 -9.509 5.962 1.941 1.00 0.00 C ATOM 1722 O PHE A 111 -10.219 6.570 2.751 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.844 3.437 1.918 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.724 3.004 3.057 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -11.872 3.704 3.379 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.355 1.918 3.848 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -12.641 3.329 4.460 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.112 1.549 4.928 1.00 0.00 C ATOM 1729 CZ PHE A 111 -12.258 2.255 5.238 1.00 0.00 C ATOM 0 H PHE A 111 -9.292 4.918 4.338 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.006 4.520 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.467 3.727 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.236 2.593 1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.169 4.551 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.462 1.361 3.607 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.542 3.875 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.814 0.708 5.536 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.855 1.966 6.090 1.00 0.00 H new ATOM 1739 N GLU A 112 -9.176 6.441 0.761 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.592 7.746 0.291 1.00 0.00 C ATOM 1741 C GLU A 112 -9.539 7.838 -1.229 1.00 0.00 C ATOM 1742 O GLU A 112 -9.316 6.832 -1.924 1.00 0.00 O ATOM 1743 CB GLU A 112 -8.745 8.852 0.956 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.254 8.597 0.930 1.00 0.00 C ATOM 1745 CD GLU A 112 -6.504 9.565 1.791 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -6.366 10.744 1.416 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -6.052 9.178 2.871 1.00 0.00 O ATOM 0 H GLU A 112 -8.601 5.928 0.092 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.632 7.895 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.948 9.799 0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.064 8.964 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.054 7.580 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.892 8.668 -0.096 1.00 0.00 H new ATOM 1754 N SER A 113 -9.816 9.020 -1.718 1.00 0.00 N ATOM 1755 CA SER A 113 -9.800 9.344 -3.112 1.00 0.00 C ATOM 1756 C SER A 113 -8.362 9.535 -3.578 1.00 0.00 C ATOM 1757 O SER A 113 -7.656 10.359 -3.040 1.00 0.00 O ATOM 1758 CB SER A 113 -10.591 10.625 -3.279 1.00 0.00 C ATOM 1759 OG SER A 113 -11.879 10.477 -2.689 1.00 0.00 O ATOM 0 H SER A 113 -10.069 9.812 -1.127 1.00 0.00 H new ATOM 0 HA SER A 113 -10.240 8.546 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.060 11.455 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.691 10.866 -4.337 1.00 0.00 H new ATOM 0 HG SER A 113 -12.386 11.308 -2.798 1.00 0.00 H new ATOM 1765 N CYS A 114 -7.956 8.764 -4.577 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.582 8.745 -5.156 1.00 0.00 C ATOM 1767 C CYS A 114 -5.991 10.134 -5.480 1.00 0.00 C ATOM 1768 O CYS A 114 -4.771 10.289 -5.597 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.601 7.883 -6.422 1.00 0.00 C ATOM 1770 SG CYS A 114 -7.096 6.164 -6.101 1.00 0.00 S ATOM 0 H CYS A 114 -8.583 8.103 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.929 8.331 -4.388 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.287 8.324 -7.145 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.610 7.892 -6.876 1.00 0.00 H new ATOM 1775 N ASN A 115 -6.844 11.120 -5.590 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.448 12.471 -5.937 1.00 0.00 C ATOM 1777 C ASN A 115 -5.953 13.285 -4.735 1.00 0.00 C ATOM 1778 O ASN A 115 -5.541 14.438 -4.913 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.606 13.222 -6.616 1.00 0.00 C ATOM 1780 CG ASN A 115 -8.833 13.376 -5.718 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -9.749 12.434 -5.792 1.00 0.00 O flip ATOM 1782 ND2 ASN A 115 -8.960 14.351 -4.972 1.00 0.00 N flip ATOM 0 H ASN A 115 -7.847 11.011 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.612 12.367 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.261 14.210 -6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.892 12.691 -7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -8.232 15.065 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.793 14.443 -4.390 1.00 0.00 H new ATOM 1789 N SER A 116 -6.007 12.741 -3.524 1.00 0.00 N ATOM 1790 CA SER A 116 -5.534 13.487 -2.388 1.00 0.00 C ATOM 1791 C SER A 116 -3.990 13.583 -2.335 1.00 0.00 C ATOM 1792 O SER A 116 -3.264 12.656 -2.728 1.00 0.00 O ATOM 1793 CB SER A 116 -6.144 12.953 -1.097 1.00 0.00 C ATOM 1794 OG SER A 116 -6.071 11.562 -1.050 1.00 0.00 O ATOM 0 H SER A 116 -6.366 11.809 -3.317 1.00 0.00 H new ATOM 0 HA SER A 116 -5.876 14.515 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.621 13.378 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.185 13.269 -1.024 1.00 0.00 H new ATOM 0 HG SER A 116 -5.972 11.271 -0.120 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.512 14.740 -1.908 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.082 15.016 -1.788 1.00 0.00 C ATOM 1802 C ASP A 117 -1.537 14.321 -0.562 1.00 0.00 C ATOM 1803 O ASP A 117 -1.710 14.795 0.560 1.00 0.00 O ATOM 1804 CB ASP A 117 -1.861 16.534 -1.687 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.417 16.971 -1.638 1.00 0.00 C ATOM 1806 OD1 ASP A 117 0.254 16.934 -2.689 1.00 0.00 O ATOM 1807 OD2 ASP A 117 0.049 17.460 -0.578 1.00 0.00 O ATOM 0 H ASP A 117 -4.106 15.522 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.558 14.642 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.340 17.012 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.365 16.900 -0.793 1.00 0.00 H new ATOM 1812 N ASN A 118 -0.949 13.181 -0.765 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.412 12.363 0.318 1.00 0.00 C ATOM 1814 C ASN A 118 0.937 11.867 -0.061 1.00 0.00 C ATOM 1815 O ASN A 118 1.351 12.035 -1.186 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.316 11.156 0.626 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.598 11.498 1.351 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.648 12.425 2.172 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.630 10.759 1.063 1.00 0.00 N ATOM 0 H ASN A 118 -0.819 12.775 -1.692 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.359 12.987 1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.566 10.658 -0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -0.754 10.442 1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.525 10.933 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.544 10.006 0.380 1.00 0.00 H new ATOM 1826 N ARG A 119 1.610 11.238 0.850 1.00 0.00 N ATOM 1827 CA ARG A 119 2.926 10.719 0.577 1.00 0.00 C ATOM 1828 C ARG A 119 2.747 9.310 0.048 1.00 0.00 C ATOM 1829 O ARG A 119 1.615 8.852 -0.037 1.00 0.00 O ATOM 1830 CB ARG A 119 3.801 10.702 1.833 1.00 0.00 C ATOM 1831 CG ARG A 119 4.062 12.032 2.531 1.00 0.00 C ATOM 1832 CD ARG A 119 2.873 12.596 3.282 1.00 0.00 C ATOM 1833 NE ARG A 119 3.298 13.716 4.118 1.00 0.00 N ATOM 1834 CZ ARG A 119 2.638 14.864 4.313 1.00 0.00 C ATOM 1835 NH1 ARG A 119 1.401 15.018 3.854 1.00 0.00 N ATOM 1836 NH2 ARG A 119 3.215 15.842 5.002 1.00 0.00 N ATOM 0 H ARG A 119 1.273 11.067 1.797 1.00 0.00 H new ATOM 0 HA ARG A 119 3.431 11.356 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.339 10.029 2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.765 10.269 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.889 11.904 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.384 12.761 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.110 12.926 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.421 11.820 3.900 1.00 0.00 H new ATOM 0 HE ARG A 119 4.189 13.613 4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.946 14.258 3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.906 15.896 4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.155 15.715 5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.719 16.720 5.155 1.00 0.00 H new ATOM 1850 N TRP A 120 3.804 8.601 -0.279 1.00 0.00 N ATOM 1851 CA TRP A 120 3.616 7.264 -0.831 1.00 0.00 C ATOM 1852 C TRP A 120 4.788 6.355 -0.510 1.00 0.00 C ATOM 1853 O TRP A 120 5.894 6.822 -0.192 1.00 0.00 O ATOM 1854 CB TRP A 120 3.371 7.314 -2.358 1.00 0.00 C ATOM 1855 CG TRP A 120 4.580 7.636 -3.190 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.331 6.747 -3.883 1.00 0.00 C ATOM 1857 CD2 TRP A 120 5.177 8.915 -3.412 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.352 7.383 -4.526 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.284 8.715 -4.256 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.886 10.202 -2.988 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 7.098 9.755 -4.677 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.694 11.231 -3.408 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.788 11.001 -4.245 1.00 0.00 C ATOM 0 H TRP A 120 4.772 8.906 -0.180 1.00 0.00 H new ATOM 0 HA TRP A 120 2.728 6.846 -0.357 1.00 0.00 H new ATOM 0 HB2 TRP A 120 2.976 6.350 -2.678 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.601 8.058 -2.562 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.147 5.683 -3.921 1.00 0.00 H new ATOM 0 HE1 TRP A 120 7.053 6.933 -5.114 1.00 0.00 H new ATOM 0 HE3 TRP A 120 4.042 10.392 -2.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 7.945 9.579 -5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.479 12.239 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 120 7.400 11.835 -4.555 1.00 0.00 H new ATOM 1874 N ILE A 121 4.552 5.070 -0.589 1.00 0.00 N ATOM 1875 CA ILE A 121 5.571 4.089 -0.339 1.00 0.00 C ATOM 1876 C ILE A 121 5.813 3.282 -1.590 1.00 0.00 C ATOM 1877 O ILE A 121 4.887 2.696 -2.163 1.00 0.00 O ATOM 1878 CB ILE A 121 5.173 3.126 0.810 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.946 3.909 2.090 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.271 2.071 1.036 1.00 0.00 C ATOM 1881 CD1 ILE A 121 4.247 3.124 3.165 1.00 0.00 C ATOM 0 H ILE A 121 3.643 4.676 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 121 6.476 4.620 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 121 4.250 2.618 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.908 4.252 2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.358 4.798 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.974 1.405 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.413 1.492 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.205 2.568 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.120 3.750 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.270 2.803 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.844 2.249 3.423 1.00 0.00 H new ATOM 1893 N CYS A 122 7.025 3.265 -2.016 1.00 0.00 N ATOM 1894 CA CYS A 122 7.408 2.460 -3.135 1.00 0.00 C ATOM 1895 C CYS A 122 8.037 1.214 -2.612 1.00 0.00 C ATOM 1896 O CYS A 122 8.720 1.257 -1.582 1.00 0.00 O ATOM 1897 CB CYS A 122 8.431 3.181 -4.010 1.00 0.00 C ATOM 1898 SG CYS A 122 7.827 4.650 -4.881 1.00 0.00 S ATOM 0 H CYS A 122 7.784 3.807 -1.603 1.00 0.00 H new ATOM 0 HA CYS A 122 6.524 2.247 -3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.274 3.474 -3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 122 8.812 2.475 -4.748 1.00 0.00 H new ATOM 1903 N GLN A 123 7.812 0.122 -3.260 1.00 0.00 N ATOM 1904 CA GLN A 123 8.503 -1.058 -2.914 1.00 0.00 C ATOM 1905 C GLN A 123 9.103 -1.594 -4.169 1.00 0.00 C ATOM 1906 O GLN A 123 8.593 -1.372 -5.266 1.00 0.00 O ATOM 1907 CB GLN A 123 7.630 -2.153 -2.275 1.00 0.00 C ATOM 1908 CG GLN A 123 6.842 -3.002 -3.269 1.00 0.00 C ATOM 1909 CD GLN A 123 6.307 -4.262 -2.646 1.00 0.00 C ATOM 1910 OE1 GLN A 123 5.999 -4.294 -1.482 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.215 -5.315 -3.418 1.00 0.00 N ATOM 0 H GLN A 123 7.153 0.029 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 123 9.241 -0.794 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.269 -2.809 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.930 -1.683 -1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.013 -2.416 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.484 -3.260 -4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.484 -5.253 -4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.874 -6.198 -3.038 1.00 0.00 H new ATOM 1920 N LYS A 124 10.155 -2.258 -4.042 1.00 0.00 N ATOM 1921 CA LYS A 124 10.707 -2.883 -5.142 1.00 0.00 C ATOM 1922 C LYS A 124 10.479 -4.339 -4.917 1.00 0.00 C ATOM 1923 O LYS A 124 10.838 -4.881 -3.852 1.00 0.00 O ATOM 1924 CB LYS A 124 12.157 -2.518 -5.293 1.00 0.00 C ATOM 1925 CG LYS A 124 12.601 -2.537 -6.728 1.00 0.00 C ATOM 1926 CD LYS A 124 14.009 -2.059 -6.852 1.00 0.00 C ATOM 1927 CE LYS A 124 14.477 -2.054 -8.284 1.00 0.00 C ATOM 1928 NZ LYS A 124 14.414 -3.405 -8.905 1.00 0.00 N ATOM 0 H LYS A 124 10.663 -2.386 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 124 10.250 -2.572 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.325 -1.525 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.767 -3.214 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.519 -3.549 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.944 -1.905 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.088 -1.053 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.663 -2.698 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.864 -1.362 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.501 -1.684 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.943 -3.400 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.833 -4.104 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.422 -3.656 -9.090 1.00 0.00 H new ATOM 1942 N GLU A 125 9.798 -4.934 -5.850 1.00 0.00 N ATOM 1943 CA GLU A 125 9.324 -6.274 -5.728 1.00 0.00 C ATOM 1944 C GLU A 125 10.422 -7.295 -5.910 1.00 0.00 C ATOM 1945 O GLU A 125 11.069 -7.374 -6.966 1.00 0.00 O ATOM 1946 CB GLU A 125 8.194 -6.509 -6.725 1.00 0.00 C ATOM 1947 CG GLU A 125 7.565 -7.880 -6.663 1.00 0.00 C ATOM 1948 CD GLU A 125 6.554 -8.104 -7.751 1.00 0.00 C ATOM 1949 OE1 GLU A 125 5.431 -7.582 -7.671 1.00 0.00 O ATOM 1950 OE2 GLU A 125 6.862 -8.828 -8.718 1.00 0.00 O ATOM 0 H GLU A 125 9.553 -4.489 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 125 8.948 -6.403 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.419 -5.762 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 125 8.578 -6.347 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.346 -8.637 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.084 -8.011 -5.694 1.00 0.00 H new ATOM 1957 N LEU A 126 10.657 -8.028 -4.869 1.00 0.00 N ATOM 1958 CA LEU A 126 11.525 -9.171 -4.926 1.00 0.00 C ATOM 1959 C LEU A 126 10.616 -10.375 -5.236 1.00 0.00 C ATOM 1960 O LEU A 126 10.956 -11.230 -6.040 1.00 0.00 O ATOM 1961 CB LEU A 126 12.296 -9.366 -3.586 1.00 0.00 C ATOM 1962 CG LEU A 126 13.527 -8.461 -3.236 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.394 -7.023 -3.666 1.00 0.00 C ATOM 1964 CD2 LEU A 126 13.791 -8.514 -1.746 1.00 0.00 C ATOM 0 H LEU A 126 10.253 -7.854 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 126 12.292 -9.049 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.572 -9.251 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.640 -10.400 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 126 14.363 -8.870 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.292 -6.474 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.267 -6.977 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.527 -6.576 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 126 14.647 -7.884 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 126 12.914 -8.155 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.002 -9.542 -1.450 1.00 0.00 H new ATOM 1976 N TYR A 127 9.416 -10.377 -4.621 1.00 0.00 N ATOM 1977 CA TYR A 127 8.381 -11.396 -4.854 1.00 0.00 C ATOM 1978 C TYR A 127 6.980 -10.786 -4.702 1.00 0.00 C ATOM 1979 O TYR A 127 6.834 -9.686 -4.158 1.00 0.00 O ATOM 1980 CB TYR A 127 8.489 -12.607 -3.911 1.00 0.00 C ATOM 1981 CG TYR A 127 9.625 -13.553 -4.194 1.00 0.00 C ATOM 1982 CD1 TYR A 127 9.531 -14.489 -5.210 1.00 0.00 C ATOM 1983 CD2 TYR A 127 10.775 -13.532 -3.439 1.00 0.00 C ATOM 1984 CE1 TYR A 127 10.555 -15.369 -5.460 1.00 0.00 C ATOM 1985 CE2 TYR A 127 11.796 -14.396 -3.679 1.00 0.00 C ATOM 1986 CZ TYR A 127 11.688 -15.319 -4.693 1.00 0.00 C ATOM 1987 OH TYR A 127 12.719 -16.203 -4.936 1.00 0.00 O ATOM 0 H TYR A 127 9.139 -9.665 -3.945 1.00 0.00 H new ATOM 0 HA TYR A 127 8.543 -11.750 -5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.591 -12.241 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 127 7.554 -13.166 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 127 8.638 -14.528 -5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 127 10.868 -12.813 -2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 127 10.467 -16.095 -6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 127 12.690 -14.358 -3.075 1.00 0.00 H new ATOM 0 HH TYR A 127 13.450 -16.035 -4.305 1.00 0.00 H new ATOM 1997 N HIS A 128 5.965 -11.506 -5.168 1.00 0.00 N ATOM 1998 CA HIS A 128 4.556 -11.073 -5.093 1.00 0.00 C ATOM 1999 C HIS A 128 3.668 -12.271 -4.799 1.00 0.00 C ATOM 2000 O HIS A 128 4.077 -13.390 -5.077 1.00 0.00 O ATOM 2001 CB HIS A 128 4.103 -10.381 -6.409 1.00 0.00 C ATOM 2002 CG HIS A 128 4.290 -11.188 -7.686 1.00 0.00 C ATOM 2003 ND1 HIS A 128 5.101 -10.777 -8.709 1.00 0.00 N ATOM 2004 CD2 HIS A 128 3.745 -12.357 -8.104 1.00 0.00 C ATOM 2005 CE1 HIS A 128 5.054 -11.638 -9.687 1.00 0.00 C ATOM 2006 NE2 HIS A 128 4.240 -12.610 -9.352 1.00 0.00 N ATOM 0 H HIS A 128 6.088 -12.415 -5.614 1.00 0.00 H new ATOM 0 HA HIS A 128 4.466 -10.345 -4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.048 -10.124 -6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 128 4.651 -9.444 -6.511 1.00 0.00 H new ATOM 0 HD1 HIS A 128 5.659 -9.923 -8.707 1.00 0.00 H new ATOM 0 HD2 HIS A 128 3.050 -12.973 -7.553 1.00 0.00 H new ATOM 0 HE1 HIS A 128 5.596 -11.563 -10.618 1.00 0.00 H new ATOM 2015 N GLU A 129 2.455 -12.041 -4.269 1.00 0.00 N ATOM 2016 CA GLU A 129 1.518 -13.125 -3.922 1.00 0.00 C ATOM 2017 C GLU A 129 0.066 -12.707 -4.191 1.00 0.00 C ATOM 2018 O GLU A 129 -0.233 -11.520 -4.302 1.00 0.00 O ATOM 2019 CB GLU A 129 1.676 -13.544 -2.449 1.00 0.00 C ATOM 2020 CG GLU A 129 3.020 -14.188 -2.111 1.00 0.00 C ATOM 2021 CD GLU A 129 3.215 -15.564 -2.727 1.00 0.00 C ATOM 2022 OE1 GLU A 129 2.954 -15.767 -3.925 1.00 0.00 O ATOM 2023 OE2 GLU A 129 3.636 -16.484 -2.006 1.00 0.00 O ATOM 0 H GLU A 129 2.098 -11.107 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 129 1.759 -13.978 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.540 -12.665 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.879 -14.244 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.822 -13.532 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 129 3.111 -14.269 -1.028 1.00 0.00 H new ATOM 2030 N THR A 130 -0.810 -13.684 -4.284 1.00 0.00 N ATOM 2031 CA THR A 130 -2.222 -13.485 -4.566 1.00 0.00 C ATOM 2032 C THR A 130 -3.047 -14.515 -3.810 1.00 0.00 C ATOM 2033 O THR A 130 -2.831 -15.710 -3.983 1.00 0.00 O ATOM 2034 CB THR A 130 -2.474 -13.659 -6.083 1.00 0.00 C ATOM 2035 OG1 THR A 130 -1.813 -12.617 -6.812 1.00 0.00 O ATOM 2036 CG2 THR A 130 -3.962 -13.694 -6.415 1.00 0.00 C ATOM 0 H THR A 130 -0.557 -14.665 -4.163 1.00 0.00 H new ATOM 0 HA THR A 130 -2.510 -12.482 -4.253 1.00 0.00 H new ATOM 0 HB THR A 130 -2.059 -14.622 -6.382 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.976 -12.735 -7.771 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.092 -13.817 -7.490 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.431 -14.529 -5.894 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.428 -12.761 -6.098 1.00 0.00 H new ATOM 2044 N LEU A 131 -3.957 -14.031 -2.970 1.00 0.00 N ATOM 2045 CA LEU A 131 -4.898 -14.836 -2.203 1.00 0.00 C ATOM 2046 C LEU A 131 -5.769 -13.832 -1.459 1.00 0.00 C ATOM 2047 O LEU A 131 -5.515 -12.624 -1.601 1.00 0.00 O ATOM 2048 CB LEU A 131 -4.152 -15.754 -1.200 1.00 0.00 C ATOM 2049 CG LEU A 131 -4.572 -17.250 -1.161 1.00 0.00 C ATOM 2050 CD1 LEU A 131 -6.013 -17.439 -0.746 1.00 0.00 C ATOM 2051 CD2 LEU A 131 -4.314 -17.922 -2.500 1.00 0.00 C ATOM 0 H LEU A 131 -4.062 -13.031 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 131 -5.485 -15.491 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.087 -15.708 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -4.283 -15.340 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 131 -3.953 -17.726 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.252 -18.502 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -6.162 -17.024 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.665 -16.927 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -4.616 -18.968 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -4.888 -17.418 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.252 -17.863 -2.738 1.00 0.00 H new ATOM 2063 N SER A 132 -6.764 -14.308 -0.699 1.00 0.00 N ATOM 2064 CA SER A 132 -7.677 -13.478 0.098 1.00 0.00 C ATOM 2065 C SER A 132 -8.759 -12.798 -0.745 1.00 0.00 C ATOM 2066 O SER A 132 -8.581 -12.546 -1.938 1.00 0.00 O ATOM 2067 CB SER A 132 -6.918 -12.474 0.961 1.00 0.00 C ATOM 2068 OG SER A 132 -6.008 -13.141 1.817 1.00 0.00 O ATOM 0 H SER A 132 -6.961 -15.306 -0.619 1.00 0.00 H new ATOM 0 HA SER A 132 -8.200 -14.160 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 132 -6.379 -11.773 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 132 -7.622 -11.890 1.554 1.00 0.00 H new ATOM 0 HG SER A 132 -5.096 -12.836 1.627 1.00 0.00 H new ATOM 2074 N ASN A 133 -9.893 -12.562 -0.130 1.00 0.00 N ATOM 2075 CA ASN A 133 -11.004 -11.917 -0.791 1.00 0.00 C ATOM 2076 C ASN A 133 -11.063 -10.486 -0.328 1.00 0.00 C ATOM 2077 O ASN A 133 -10.589 -9.581 -1.018 1.00 0.00 O ATOM 2078 CB ASN A 133 -12.346 -12.606 -0.452 1.00 0.00 C ATOM 2079 CG ASN A 133 -12.396 -14.083 -0.809 1.00 0.00 C ATOM 2080 OD1 ASN A 133 -12.816 -14.453 -1.909 1.00 0.00 O ATOM 2081 ND2 ASN A 133 -11.986 -14.931 0.115 1.00 0.00 N ATOM 0 H ASN A 133 -10.072 -12.811 0.843 1.00 0.00 H new ATOM 0 HA ASN A 133 -10.853 -11.981 -1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -12.539 -12.495 0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -13.150 -12.089 -0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.009 -15.934 -0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -11.646 -14.583 1.012 1.00 0.00 H new ATOM 2088 N TYR A 134 -11.624 -10.312 0.864 1.00 0.00 N ATOM 2089 CA TYR A 134 -11.776 -9.051 1.537 1.00 0.00 C ATOM 2090 C TYR A 134 -12.562 -9.304 2.805 1.00 0.00 C ATOM 2091 O TYR A 134 -13.107 -10.408 2.973 1.00 0.00 O ATOM 2092 CB TYR A 134 -12.472 -7.980 0.659 1.00 0.00 C ATOM 2093 CG TYR A 134 -13.928 -8.225 0.219 1.00 0.00 C ATOM 2094 CD1 TYR A 134 -14.985 -8.157 1.125 1.00 0.00 C ATOM 2095 CD2 TYR A 134 -14.240 -8.436 -1.119 1.00 0.00 C ATOM 2096 CE1 TYR A 134 -16.288 -8.292 0.719 1.00 0.00 C ATOM 2097 CE2 TYR A 134 -15.552 -8.585 -1.531 1.00 0.00 C ATOM 2098 CZ TYR A 134 -16.570 -8.507 -0.604 1.00 0.00 C ATOM 2099 OH TYR A 134 -17.887 -8.627 -1.002 1.00 0.00 O ATOM 0 H TYR A 134 -12.000 -11.092 1.403 1.00 0.00 H new ATOM 0 HA TYR A 134 -10.789 -8.647 1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -12.444 -7.036 1.203 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -11.871 -7.847 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -14.773 -7.994 2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -13.445 -8.484 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -17.089 -8.229 1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -15.778 -8.761 -2.572 1.00 0.00 H new ATOM 0 HH TYR A 134 -18.399 -7.857 -0.677 1.00 0.00 H new ATOM 2109 N VAL A 135 -12.636 -8.332 3.692 1.00 0.00 N ATOM 2110 CA VAL A 135 -13.410 -8.511 4.899 1.00 0.00 C ATOM 2111 C VAL A 135 -14.710 -7.724 4.796 1.00 0.00 C ATOM 2112 O VAL A 135 -15.777 -8.304 4.642 1.00 0.00 O ATOM 2113 CB VAL A 135 -12.629 -8.150 6.197 1.00 0.00 C ATOM 2114 CG1 VAL A 135 -13.492 -8.379 7.427 1.00 0.00 C ATOM 2115 CG2 VAL A 135 -11.355 -8.972 6.309 1.00 0.00 C ATOM 0 H VAL A 135 -12.177 -7.425 3.601 1.00 0.00 H new ATOM 0 HA VAL A 135 -13.634 -9.574 4.984 1.00 0.00 H new ATOM 0 HB VAL A 135 -12.364 -7.094 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -12.926 -8.120 8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -14.383 -7.754 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -13.787 -9.427 7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -10.827 -8.702 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -11.607 -10.032 6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -10.716 -8.772 5.449 1.00 0.00 H new ATOM 2125 N GLY A 136 -14.624 -6.423 4.846 1.00 0.00 N ATOM 2126 CA GLY A 136 -15.819 -5.633 4.691 1.00 0.00 C ATOM 2127 C GLY A 136 -16.058 -4.678 5.834 1.00 0.00 C ATOM 2128 O GLY A 136 -15.194 -3.858 6.147 1.00 0.00 O ATOM 0 H GLY A 136 -13.763 -5.896 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -15.753 -5.067 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -16.677 -6.299 4.598 1.00 0.00 H new ATOM 2132 N TYR A 137 -17.245 -4.775 6.421 1.00 0.00 N ATOM 2133 CA TYR A 137 -17.711 -3.990 7.586 1.00 0.00 C ATOM 2134 C TYR A 137 -17.927 -2.494 7.292 1.00 0.00 C ATOM 2135 O TYR A 137 -19.032 -1.985 7.467 1.00 0.00 O ATOM 2136 CB TYR A 137 -16.807 -4.156 8.829 1.00 0.00 C ATOM 2137 CG TYR A 137 -16.620 -5.583 9.320 1.00 0.00 C ATOM 2138 CD1 TYR A 137 -17.679 -6.490 9.363 1.00 0.00 C ATOM 2139 CD2 TYR A 137 -15.381 -6.010 9.764 1.00 0.00 C ATOM 2140 CE1 TYR A 137 -17.493 -7.780 9.831 1.00 0.00 C ATOM 2141 CE2 TYR A 137 -15.191 -7.292 10.230 1.00 0.00 C ATOM 2142 CZ TYR A 137 -16.244 -8.174 10.260 1.00 0.00 C ATOM 2143 OH TYR A 137 -16.043 -9.459 10.724 1.00 0.00 O ATOM 0 H TYR A 137 -17.952 -5.432 6.091 1.00 0.00 H new ATOM 0 HA TYR A 137 -18.688 -4.419 7.810 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -15.827 -3.738 8.601 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -17.226 -3.563 9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -18.658 -6.182 9.027 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.547 -5.325 9.745 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.321 -8.473 9.860 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -14.215 -7.604 10.572 1.00 0.00 H new ATOM 0 HH TYR A 137 -15.105 -9.570 10.985 1.00 0.00 H new ATOM 2153 N GLY A 138 -16.883 -1.827 6.830 1.00 0.00 N ATOM 2154 CA GLY A 138 -16.878 -0.377 6.644 1.00 0.00 C ATOM 2155 C GLY A 138 -17.932 0.183 5.692 1.00 0.00 C ATOM 2156 O GLY A 138 -18.494 1.246 5.969 1.00 0.00 O ATOM 0 H GLY A 138 -16.005 -2.276 6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -17.011 0.094 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -15.894 -0.082 6.279 1.00 0.00 H new ATOM 2160 N HIS A 139 -18.216 -0.537 4.606 1.00 0.00 N ATOM 2161 CA HIS A 139 -19.136 -0.078 3.530 1.00 0.00 C ATOM 2162 C HIS A 139 -18.602 1.189 2.884 1.00 0.00 C ATOM 2163 O HIS A 139 -19.167 2.270 3.090 1.00 0.00 O ATOM 2164 CB HIS A 139 -20.588 0.169 4.013 1.00 0.00 C ATOM 2165 CG HIS A 139 -21.345 -1.042 4.427 1.00 0.00 C ATOM 2166 ND1 HIS A 139 -22.050 -1.820 3.548 1.00 0.00 N ATOM 2167 CD2 HIS A 139 -21.543 -1.589 5.643 1.00 0.00 C ATOM 2168 CE1 HIS A 139 -22.651 -2.783 4.193 1.00 0.00 C ATOM 2169 NE2 HIS A 139 -22.360 -2.673 5.470 1.00 0.00 N ATOM 2170 OXT HIS A 139 -17.574 1.127 2.217 1.00 0.00 O ATOM 0 H HIS A 139 -17.820 -1.461 4.434 1.00 0.00 H new ATOM 0 HA HIS A 139 -19.175 -0.892 2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -20.559 0.862 4.854 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -21.139 0.663 3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -21.134 -1.238 6.579 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -23.281 -3.542 3.752 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -22.689 -3.293 6.210 1.00 0.00 H new TER 2179 HIS A 139