USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1079 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 126 TYR OH : rot 2:sc= 0.784 USER MOD Set 1.2: A 130 MET CE :methyl -112:sc= -3.99! (180deg=-8.9!) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.97 USER MOD Set 2.2: A 86 LYS NZ :NH3+ 160:sc= 1.8 (180deg=0.66) USER MOD Set 3.1: A 58 GLN : amide:sc= 0.186 K(o=1.3,f=-9.1!) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 153:sc= 1.08 (180deg=-0.228) USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.102 (180deg=0.00527) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0703 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.2) USER MOD Single : A 20 SER OG : rot -99:sc= 1.24 USER MOD Single : A 21 HIS : no HD1:sc= -0.0302 K(o=-0.03,f=-1.8) USER MOD Single : A 29 THR OG1 : rot -59:sc= 1.19 USER MOD Single : A 33 LYS NZ :NH3+ -144:sc= 1.23 (180deg=1.03) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 47 CYS SG : rot -88:sc= -0.28 USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= 0.938 (180deg=-0.15) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 60 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-2!) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0396) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.2!) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc=-0.00957 (180deg=-0.0911) USER MOD Single : A 80 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.83) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot -122:sc= 0.6 USER MOD Single : A 90 THR OG1 : rot -14:sc= 0.906 USER MOD Single : A 91 ASN : amide:sc= 0.519 K(o=0.52,f=-0.023) USER MOD Single : A 92 SER OG : rot 90:sc= 0.767 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= 0.573 K(o=0.57,f=-5.4!) USER MOD Single : A 100 SER OG : rot -97:sc= 1.03 USER MOD Single : A 105 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.092) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 130:sc= -1.16 USER MOD Single : A 110 GLN : amide:sc= 0.0317 K(o=0.032,f=-2!) USER MOD Single : A 112 MET CE :methyl 160:sc= -1.43 (180deg=-2.03) USER MOD Single : A 114 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.041) USER MOD Single : A 116 SER OG : rot -14:sc= 1.02 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -78:sc= -0.618! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 142.991 0.463 7.959 1.00 0.00 N ATOM 2 CA SER A 1 142.504 0.761 6.650 1.00 0.00 C ATOM 3 C SER A 1 142.072 2.219 6.580 1.00 0.00 C ATOM 4 O SER A 1 141.054 2.611 7.179 1.00 0.00 O ATOM 5 CB SER A 1 141.344 -0.166 6.347 1.00 0.00 C ATOM 6 OG SER A 1 141.731 -1.523 6.573 1.00 0.00 O ATOM 0 H1 SER A 1 142.764 -0.523 8.198 1.00 0.00 H new ATOM 0 H2 SER A 1 144.022 0.597 7.985 1.00 0.00 H new ATOM 0 H3 SER A 1 142.542 1.098 8.649 1.00 0.00 H new ATOM 0 HA SER A 1 143.288 0.609 5.908 1.00 0.00 H new ATOM 0 HB2 SER A 1 140.491 0.087 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 1 141.026 -0.037 5.312 1.00 0.00 H new ATOM 0 HG SER A 1 140.976 -2.116 6.377 1.00 0.00 H new ATOM 14 N MET A 2 142.878 3.026 5.923 1.00 0.00 N ATOM 15 CA MET A 2 142.581 4.415 5.706 1.00 0.00 C ATOM 16 C MET A 2 142.660 4.681 4.228 1.00 0.00 C ATOM 17 O MET A 2 143.747 4.656 3.643 1.00 0.00 O ATOM 18 CB MET A 2 143.561 5.315 6.464 1.00 0.00 C ATOM 19 CG MET A 2 143.324 6.806 6.263 1.00 0.00 C ATOM 20 SD MET A 2 144.506 7.821 7.179 1.00 0.00 S ATOM 21 CE MET A 2 143.928 9.463 6.756 1.00 0.00 C ATOM 0 H MET A 2 143.767 2.727 5.522 1.00 0.00 H new ATOM 0 HA MET A 2 141.582 4.639 6.080 1.00 0.00 H new ATOM 0 HB2 MET A 2 143.496 5.089 7.528 1.00 0.00 H new ATOM 0 HB3 MET A 2 144.576 5.074 6.148 1.00 0.00 H new ATOM 0 HG2 MET A 2 143.393 7.042 5.201 1.00 0.00 H new ATOM 0 HG3 MET A 2 142.312 7.056 6.580 1.00 0.00 H new ATOM 0 HE1 MET A 2 144.556 10.207 7.245 1.00 0.00 H new ATOM 0 HE2 MET A 2 143.978 9.599 5.676 1.00 0.00 H new ATOM 0 HE3 MET A 2 142.897 9.583 7.089 1.00 0.00 H new ATOM 31 N VAL A 3 141.518 4.863 3.624 1.00 0.00 N ATOM 32 CA VAL A 3 141.414 5.087 2.203 1.00 0.00 C ATOM 33 C VAL A 3 142.156 6.344 1.748 1.00 0.00 C ATOM 34 O VAL A 3 141.968 7.434 2.289 1.00 0.00 O ATOM 35 CB VAL A 3 139.929 5.096 1.714 1.00 0.00 C ATOM 36 CG1 VAL A 3 139.092 6.118 2.470 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.846 5.358 0.220 1.00 0.00 C ATOM 0 H VAL A 3 140.620 4.860 4.108 1.00 0.00 H new ATOM 0 HA VAL A 3 141.909 4.239 1.730 1.00 0.00 H new ATOM 0 HB VAL A 3 139.521 4.106 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 3 138.067 6.093 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 3 139.101 5.880 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.508 7.114 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.802 5.359 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.292 6.327 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.384 4.577 -0.317 1.00 0.00 H new ATOM 47 N SER A 4 143.030 6.158 0.808 1.00 0.00 N ATOM 48 CA SER A 4 143.740 7.230 0.189 1.00 0.00 C ATOM 49 C SER A 4 142.771 7.995 -0.707 1.00 0.00 C ATOM 50 O SER A 4 141.892 7.385 -1.314 1.00 0.00 O ATOM 51 CB SER A 4 144.899 6.632 -0.592 1.00 0.00 C ATOM 52 OG SER A 4 145.697 5.831 0.276 1.00 0.00 O ATOM 0 H SER A 4 143.274 5.237 0.443 1.00 0.00 H new ATOM 0 HA SER A 4 144.144 7.932 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.522 6.027 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.504 7.426 -1.030 1.00 0.00 H new ATOM 0 HG SER A 4 146.443 5.445 -0.229 1.00 0.00 H new ATOM 58 N PRO A 5 142.883 9.336 -0.766 1.00 0.00 N ATOM 59 CA PRO A 5 141.975 10.197 -1.549 1.00 0.00 C ATOM 60 C PRO A 5 141.752 9.712 -2.986 1.00 0.00 C ATOM 61 O PRO A 5 140.658 9.827 -3.514 1.00 0.00 O ATOM 62 CB PRO A 5 142.677 11.553 -1.541 1.00 0.00 C ATOM 63 CG PRO A 5 143.439 11.559 -0.265 1.00 0.00 C ATOM 64 CD PRO A 5 143.901 10.143 -0.051 1.00 0.00 C ATOM 0 HA PRO A 5 140.975 10.210 -1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 5 143.338 11.665 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.960 12.373 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.287 12.242 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 5 142.813 11.894 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.900 9.981 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.942 9.890 1.008 1.00 0.00 H new ATOM 72 N GLU A 6 142.765 9.119 -3.591 1.00 0.00 N ATOM 73 CA GLU A 6 142.624 8.634 -4.970 1.00 0.00 C ATOM 74 C GLU A 6 141.863 7.320 -5.011 1.00 0.00 C ATOM 75 O GLU A 6 141.065 7.078 -5.911 1.00 0.00 O ATOM 76 CB GLU A 6 143.956 8.501 -5.678 1.00 0.00 C ATOM 77 CG GLU A 6 144.698 9.806 -5.824 1.00 0.00 C ATOM 78 CD GLU A 6 145.953 9.647 -6.617 1.00 0.00 C ATOM 79 OE1 GLU A 6 146.929 9.106 -6.090 1.00 0.00 O ATOM 80 OE2 GLU A 6 145.992 10.086 -7.789 1.00 0.00 O ATOM 0 H GLU A 6 143.680 8.959 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 6 142.049 9.388 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.581 7.797 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 6 143.791 8.075 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 6 144.053 10.538 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 6 144.940 10.199 -4.836 1.00 0.00 H new ATOM 87 N GLU A 7 142.070 6.499 -4.010 1.00 0.00 N ATOM 88 CA GLU A 7 141.357 5.246 -3.897 1.00 0.00 C ATOM 89 C GLU A 7 139.874 5.584 -3.666 1.00 0.00 C ATOM 90 O GLU A 7 138.972 4.870 -4.111 1.00 0.00 O ATOM 91 CB GLU A 7 141.922 4.435 -2.716 1.00 0.00 C ATOM 92 CG GLU A 7 141.453 2.996 -2.644 1.00 0.00 C ATOM 93 CD GLU A 7 141.976 2.159 -3.791 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.378 2.174 -4.882 1.00 0.00 O ATOM 95 OE2 GLU A 7 143.003 1.470 -3.617 1.00 0.00 O ATOM 0 H GLU A 7 142.732 6.677 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 7 141.469 4.644 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 7 143.010 4.444 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.650 4.937 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.778 2.558 -1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.363 2.972 -2.648 1.00 0.00 H new ATOM 102 N ALA A 8 139.661 6.716 -2.996 1.00 0.00 N ATOM 103 CA ALA A 8 138.346 7.245 -2.741 1.00 0.00 C ATOM 104 C ALA A 8 137.725 7.823 -4.027 1.00 0.00 C ATOM 105 O ALA A 8 136.553 7.596 -4.284 1.00 0.00 O ATOM 106 CB ALA A 8 138.391 8.280 -1.600 1.00 0.00 C ATOM 0 H ALA A 8 140.414 7.289 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 8 137.699 6.430 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.388 8.669 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.763 7.805 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 8 139.054 9.100 -1.878 1.00 0.00 H new ATOM 112 N VAL A 9 138.515 8.560 -4.860 1.00 0.00 N ATOM 113 CA VAL A 9 137.974 9.129 -6.140 1.00 0.00 C ATOM 114 C VAL A 9 137.456 8.034 -7.071 1.00 0.00 C ATOM 115 O VAL A 9 136.575 8.269 -7.903 1.00 0.00 O ATOM 116 CB VAL A 9 138.967 10.058 -6.949 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.538 11.174 -6.112 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.070 9.299 -7.668 1.00 0.00 C ATOM 0 H VAL A 9 139.497 8.772 -4.681 1.00 0.00 H new ATOM 0 HA VAL A 9 137.158 9.768 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 9 138.345 10.509 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 9 140.212 11.777 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.728 11.800 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 9 140.088 10.753 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.710 10.004 -8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.665 8.746 -6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.628 8.602 -8.380 1.00 0.00 H new ATOM 128 N LYS A 10 138.001 6.846 -6.922 1.00 0.00 N ATOM 129 CA LYS A 10 137.575 5.697 -7.714 1.00 0.00 C ATOM 130 C LYS A 10 136.126 5.304 -7.374 1.00 0.00 C ATOM 131 O LYS A 10 135.401 4.789 -8.204 1.00 0.00 O ATOM 132 CB LYS A 10 138.508 4.507 -7.472 1.00 0.00 C ATOM 133 CG LYS A 10 139.978 4.816 -7.676 1.00 0.00 C ATOM 134 CD LYS A 10 140.272 5.322 -9.075 1.00 0.00 C ATOM 135 CE LYS A 10 141.724 5.742 -9.202 1.00 0.00 C ATOM 136 NZ LYS A 10 142.064 6.154 -10.574 1.00 0.00 N ATOM 0 H LYS A 10 138.746 6.643 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 10 137.621 5.977 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.362 4.147 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.223 3.695 -8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.294 5.563 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 10 140.565 3.918 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.049 4.542 -9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 10 139.623 6.167 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 10 141.924 6.566 -8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 10 142.368 4.915 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 143.065 6.433 -10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 141.899 5.361 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 141.469 6.960 -10.852 1.00 0.00 H new ATOM 150 N TRP A 11 135.705 5.608 -6.160 1.00 0.00 N ATOM 151 CA TRP A 11 134.363 5.255 -5.685 1.00 0.00 C ATOM 152 C TRP A 11 133.306 6.107 -6.349 1.00 0.00 C ATOM 153 O TRP A 11 132.144 5.747 -6.388 1.00 0.00 O ATOM 154 CB TRP A 11 134.251 5.454 -4.177 1.00 0.00 C ATOM 155 CG TRP A 11 135.203 4.644 -3.365 1.00 0.00 C ATOM 156 CD1 TRP A 11 135.949 3.590 -3.779 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.485 4.815 -1.979 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.703 3.117 -2.748 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.429 3.844 -1.628 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.032 5.707 -1.002 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.929 3.733 -0.346 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.526 5.591 0.277 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.464 4.613 0.592 1.00 0.00 C ATOM 0 H TRP A 11 136.273 6.103 -5.473 1.00 0.00 H new ATOM 0 HA TRP A 11 134.204 4.207 -5.938 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.410 6.509 -3.952 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.234 5.211 -3.868 1.00 0.00 H new ATOM 0 HD1 TRP A 11 135.946 3.185 -4.780 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.366 2.344 -2.805 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.309 6.471 -1.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.660 2.979 -0.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 135.182 6.267 1.045 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.835 4.547 1.604 1.00 0.00 H new ATOM 174 N GLY A 12 133.732 7.218 -6.902 1.00 0.00 N ATOM 175 CA GLY A 12 132.813 8.158 -7.480 1.00 0.00 C ATOM 176 C GLY A 12 132.420 7.812 -8.887 1.00 0.00 C ATOM 177 O GLY A 12 131.703 8.577 -9.537 1.00 0.00 O ATOM 0 H GLY A 12 134.713 7.490 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 12 131.917 8.208 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.264 9.150 -7.469 1.00 0.00 H new ATOM 181 N GLU A 13 132.879 6.680 -9.370 1.00 0.00 N ATOM 182 CA GLU A 13 132.551 6.264 -10.708 1.00 0.00 C ATOM 183 C GLU A 13 132.028 4.826 -10.744 1.00 0.00 C ATOM 184 O GLU A 13 131.827 4.249 -11.822 1.00 0.00 O ATOM 185 CB GLU A 13 133.747 6.520 -11.654 1.00 0.00 C ATOM 186 CG GLU A 13 135.068 5.832 -11.294 1.00 0.00 C ATOM 187 CD GLU A 13 135.149 4.401 -11.762 1.00 0.00 C ATOM 188 OE1 GLU A 13 135.117 4.181 -12.998 1.00 0.00 O ATOM 189 OE2 GLU A 13 135.302 3.491 -10.947 1.00 0.00 O ATOM 0 H GLU A 13 133.479 6.035 -8.856 1.00 0.00 H new ATOM 0 HA GLU A 13 131.725 6.871 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 13 133.461 6.204 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 13 133.923 7.595 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.893 6.396 -11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 13 135.200 5.860 -10.212 1.00 0.00 H new ATOM 196 N SER A 14 131.739 4.281 -9.563 1.00 0.00 N ATOM 197 CA SER A 14 131.251 2.929 -9.434 1.00 0.00 C ATOM 198 C SER A 14 130.841 2.647 -7.986 1.00 0.00 C ATOM 199 O SER A 14 131.697 2.443 -7.106 1.00 0.00 O ATOM 200 CB SER A 14 132.316 1.915 -9.895 1.00 0.00 C ATOM 201 OG SER A 14 131.822 0.575 -9.878 1.00 0.00 O ATOM 0 H SER A 14 131.840 4.773 -8.675 1.00 0.00 H new ATOM 0 HA SER A 14 130.376 2.820 -10.074 1.00 0.00 H new ATOM 0 HB2 SER A 14 132.645 2.167 -10.903 1.00 0.00 H new ATOM 0 HB3 SER A 14 133.190 1.987 -9.247 1.00 0.00 H new ATOM 0 HG SER A 14 132.526 -0.037 -10.178 1.00 0.00 H new ATOM 207 N PHE A 15 129.538 2.640 -7.743 1.00 0.00 N ATOM 208 CA PHE A 15 128.978 2.324 -6.437 1.00 0.00 C ATOM 209 C PHE A 15 129.393 0.919 -6.006 1.00 0.00 C ATOM 210 O PHE A 15 129.616 0.671 -4.837 1.00 0.00 O ATOM 211 CB PHE A 15 127.445 2.452 -6.478 1.00 0.00 C ATOM 212 CG PHE A 15 126.735 2.181 -5.174 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.040 2.901 -4.040 1.00 0.00 C ATOM 214 CD2 PHE A 15 125.755 1.214 -5.096 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.387 2.664 -2.856 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.093 0.976 -3.911 1.00 0.00 C ATOM 217 CZ PHE A 15 125.409 1.702 -2.790 1.00 0.00 C ATOM 0 H PHE A 15 128.836 2.855 -8.451 1.00 0.00 H new ATOM 0 HA PHE A 15 129.366 3.032 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.191 3.459 -6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.060 1.764 -7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 15 127.804 3.663 -4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.503 0.637 -5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.643 3.235 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.325 0.218 -3.864 1.00 0.00 H new ATOM 0 HZ PHE A 15 124.891 1.518 -1.860 1.00 0.00 H new ATOM 227 N ASP A 16 129.549 0.028 -6.972 1.00 0.00 N ATOM 228 CA ASP A 16 129.965 -1.349 -6.699 1.00 0.00 C ATOM 229 C ASP A 16 131.378 -1.375 -6.159 1.00 0.00 C ATOM 230 O ASP A 16 131.682 -2.134 -5.253 1.00 0.00 O ATOM 231 CB ASP A 16 129.860 -2.219 -7.956 1.00 0.00 C ATOM 232 CG ASP A 16 130.334 -3.644 -7.744 1.00 0.00 C ATOM 233 OD1 ASP A 16 129.685 -4.402 -7.000 1.00 0.00 O ATOM 234 OD2 ASP A 16 131.371 -4.027 -8.324 1.00 0.00 O ATOM 0 H ASP A 16 129.394 0.230 -7.960 1.00 0.00 H new ATOM 0 HA ASP A 16 129.292 -1.761 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 16 128.823 -2.235 -8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 16 130.447 -1.764 -8.754 1.00 0.00 H new ATOM 239 N LYS A 17 132.214 -0.497 -6.682 1.00 0.00 N ATOM 240 CA LYS A 17 133.605 -0.387 -6.265 1.00 0.00 C ATOM 241 C LYS A 17 133.679 0.133 -4.842 1.00 0.00 C ATOM 242 O LYS A 17 134.428 -0.385 -4.006 1.00 0.00 O ATOM 243 CB LYS A 17 134.344 0.538 -7.220 1.00 0.00 C ATOM 244 CG LYS A 17 135.752 0.895 -6.805 1.00 0.00 C ATOM 245 CD LYS A 17 136.448 1.695 -7.889 1.00 0.00 C ATOM 246 CE LYS A 17 136.537 0.918 -9.195 1.00 0.00 C ATOM 247 NZ LYS A 17 137.130 1.719 -10.276 1.00 0.00 N ATOM 0 H LYS A 17 131.949 0.164 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 17 134.077 -1.369 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 17 134.380 0.067 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 17 133.769 1.458 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 17 135.728 1.472 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 17 136.317 -0.014 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 17 135.908 2.627 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 17 137.451 1.963 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 17 137.134 0.019 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 17 135.540 0.592 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.187 1.146 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 136.538 2.556 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.085 2.023 -9.999 1.00 0.00 H new ATOM 261 N LEU A 18 132.877 1.128 -4.591 1.00 0.00 N ATOM 262 CA LEU A 18 132.723 1.745 -3.295 1.00 0.00 C ATOM 263 C LEU A 18 132.272 0.714 -2.271 1.00 0.00 C ATOM 264 O LEU A 18 132.880 0.539 -1.212 1.00 0.00 O ATOM 265 CB LEU A 18 131.646 2.826 -3.441 1.00 0.00 C ATOM 266 CG LEU A 18 131.022 3.397 -2.169 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.029 4.144 -1.344 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.888 4.300 -2.536 1.00 0.00 C ATOM 0 H LEU A 18 132.288 1.551 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 18 133.668 2.169 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.079 3.655 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 18 130.842 2.415 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 18 130.656 2.566 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.547 4.535 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.836 3.470 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.436 4.970 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.441 4.709 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.258 5.115 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.137 3.735 -3.088 1.00 0.00 H new ATOM 280 N LEU A 19 131.248 0.012 -2.643 1.00 0.00 N ATOM 281 CA LEU A 19 130.549 -0.900 -1.793 1.00 0.00 C ATOM 282 C LEU A 19 131.355 -2.175 -1.511 1.00 0.00 C ATOM 283 O LEU A 19 131.187 -2.803 -0.468 1.00 0.00 O ATOM 284 CB LEU A 19 129.240 -1.218 -2.479 1.00 0.00 C ATOM 285 CG LEU A 19 128.083 -1.619 -1.613 1.00 0.00 C ATOM 286 CD1 LEU A 19 127.818 -0.525 -0.568 1.00 0.00 C ATOM 287 CD2 LEU A 19 126.872 -1.804 -2.508 1.00 0.00 C ATOM 0 H LEU A 19 130.861 0.061 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 19 130.381 -0.445 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 128.941 -0.342 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.421 -2.022 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 19 128.299 -2.548 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 19 126.977 -0.818 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.705 -0.391 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.584 0.412 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.014 -2.097 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 19 126.652 -0.868 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.079 -2.581 -3.244 1.00 0.00 H new ATOM 299 N SER A 20 132.233 -2.548 -2.425 1.00 0.00 N ATOM 300 CA SER A 20 133.058 -3.733 -2.240 1.00 0.00 C ATOM 301 C SER A 20 134.370 -3.398 -1.531 1.00 0.00 C ATOM 302 O SER A 20 135.181 -4.276 -1.231 1.00 0.00 O ATOM 303 CB SER A 20 133.307 -4.431 -3.580 1.00 0.00 C ATOM 304 OG SER A 20 133.791 -3.519 -4.558 1.00 0.00 O ATOM 0 H SER A 20 132.394 -2.051 -3.301 1.00 0.00 H new ATOM 0 HA SER A 20 132.514 -4.424 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.028 -5.237 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 20 132.382 -4.887 -3.932 1.00 0.00 H new ATOM 0 HG SER A 20 133.052 -3.237 -5.137 1.00 0.00 H new ATOM 310 N HIS A 21 134.571 -2.135 -1.250 1.00 0.00 N ATOM 311 CA HIS A 21 135.750 -1.703 -0.558 1.00 0.00 C ATOM 312 C HIS A 21 135.304 -1.485 0.867 1.00 0.00 C ATOM 313 O HIS A 21 134.342 -0.766 1.076 1.00 0.00 O ATOM 314 CB HIS A 21 136.244 -0.369 -1.158 1.00 0.00 C ATOM 315 CG HIS A 21 137.733 -0.144 -1.093 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.376 0.525 -0.070 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.705 -0.475 -1.976 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.663 0.596 -0.334 1.00 0.00 C ATOM 319 NE2 HIS A 21 139.885 0.000 -1.475 1.00 0.00 N ATOM 0 H HIS A 21 133.924 -1.385 -1.494 1.00 0.00 H new ATOM 0 HA HIS A 21 136.564 -2.424 -0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 21 135.931 -0.321 -2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.747 0.450 -0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 21 138.573 -1.014 -2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.410 1.067 0.288 1.00 0.00 H new ATOM 0 HE2 HIS A 21 140.797 -0.096 -1.922 1.00 0.00 H new ATOM 328 N ARG A 22 135.971 -2.083 1.839 1.00 0.00 N ATOM 329 CA ARG A 22 135.543 -1.968 3.246 1.00 0.00 C ATOM 330 C ARG A 22 135.474 -0.523 3.682 1.00 0.00 C ATOM 331 O ARG A 22 134.518 -0.109 4.302 1.00 0.00 O ATOM 332 CB ARG A 22 136.438 -2.761 4.195 1.00 0.00 C ATOM 333 CG ARG A 22 136.327 -4.266 4.057 1.00 0.00 C ATOM 334 CD ARG A 22 137.117 -4.953 5.146 1.00 0.00 C ATOM 335 NE ARG A 22 136.951 -6.405 5.136 1.00 0.00 N ATOM 336 CZ ARG A 22 136.494 -7.113 6.176 1.00 0.00 C ATOM 337 NH1 ARG A 22 136.147 -6.494 7.299 1.00 0.00 N ATOM 338 NH2 ARG A 22 136.397 -8.429 6.099 1.00 0.00 N ATOM 0 H ARG A 22 136.806 -2.651 1.695 1.00 0.00 H new ATOM 0 HA ARG A 22 134.544 -2.400 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.474 -2.469 4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 22 136.193 -2.484 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 22 135.281 -4.567 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 22 136.696 -4.576 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 22 138.174 -4.712 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 22 136.806 -4.563 6.115 1.00 0.00 H new ATOM 0 HE ARG A 22 137.198 -6.910 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 22 136.229 -5.480 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 22 135.799 -7.033 8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 22 136.671 -8.911 5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 22 136.048 -8.962 6.895 1.00 0.00 H new ATOM 352 N ASP A 23 136.471 0.242 3.288 1.00 0.00 N ATOM 353 CA ASP A 23 136.550 1.679 3.592 1.00 0.00 C ATOM 354 C ASP A 23 135.351 2.416 3.011 1.00 0.00 C ATOM 355 O ASP A 23 134.853 3.371 3.593 1.00 0.00 O ATOM 356 CB ASP A 23 137.807 2.291 2.964 1.00 0.00 C ATOM 357 CG ASP A 23 139.064 1.545 3.278 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.244 0.464 2.702 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.899 2.038 4.040 1.00 0.00 O ATOM 0 H ASP A 23 137.260 -0.106 2.744 1.00 0.00 H new ATOM 0 HA ASP A 23 136.573 1.781 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.679 2.329 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.910 3.320 3.310 1.00 0.00 H new ATOM 364 N GLY A 24 134.881 1.953 1.865 1.00 0.00 N ATOM 365 CA GLY A 24 133.805 2.625 1.183 1.00 0.00 C ATOM 366 C GLY A 24 132.491 2.212 1.701 1.00 0.00 C ATOM 367 O GLY A 24 131.599 3.033 1.852 1.00 0.00 O ATOM 0 H GLY A 24 135.230 1.118 1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.919 3.703 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.860 2.410 0.116 1.00 0.00 H new ATOM 371 N LEU A 25 132.364 0.935 1.966 1.00 0.00 N ATOM 372 CA LEU A 25 131.203 0.398 2.622 1.00 0.00 C ATOM 373 C LEU A 25 131.002 1.114 3.946 1.00 0.00 C ATOM 374 O LEU A 25 129.902 1.490 4.291 1.00 0.00 O ATOM 375 CB LEU A 25 131.350 -1.143 2.771 1.00 0.00 C ATOM 376 CG LEU A 25 130.727 -1.824 4.006 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.321 -3.247 3.659 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.764 -1.874 5.143 1.00 0.00 C ATOM 0 H LEU A 25 133.069 0.237 1.730 1.00 0.00 H new ATOM 0 HA LEU A 25 130.306 0.568 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.917 -1.605 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.415 -1.377 2.765 1.00 0.00 H new ATOM 0 HG LEU A 25 129.852 -1.255 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.881 -3.724 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.591 -3.230 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.200 -3.809 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.324 -2.355 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.635 -2.442 4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.068 -0.860 5.403 1.00 0.00 H new ATOM 390 N GLU A 26 132.102 1.365 4.620 1.00 0.00 N ATOM 391 CA GLU A 26 132.117 2.056 5.874 1.00 0.00 C ATOM 392 C GLU A 26 131.769 3.544 5.659 1.00 0.00 C ATOM 393 O GLU A 26 131.005 4.107 6.425 1.00 0.00 O ATOM 394 CB GLU A 26 133.489 1.807 6.537 1.00 0.00 C ATOM 395 CG GLU A 26 133.689 2.275 7.986 1.00 0.00 C ATOM 396 CD GLU A 26 133.888 3.764 8.154 1.00 0.00 C ATOM 397 OE1 GLU A 26 134.949 4.288 7.743 1.00 0.00 O ATOM 398 OE2 GLU A 26 133.028 4.430 8.765 1.00 0.00 O ATOM 0 H GLU A 26 133.028 1.085 4.297 1.00 0.00 H new ATOM 0 HA GLU A 26 131.355 1.682 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.686 0.736 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 26 134.249 2.291 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 26 132.823 1.971 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 26 134.554 1.759 8.403 1.00 0.00 H new ATOM 405 N ALA A 27 132.261 4.154 4.570 1.00 0.00 N ATOM 406 CA ALA A 27 131.943 5.562 4.293 1.00 0.00 C ATOM 407 C ALA A 27 130.442 5.708 3.984 1.00 0.00 C ATOM 408 O ALA A 27 129.717 6.554 4.574 1.00 0.00 O ATOM 409 CB ALA A 27 132.781 6.092 3.111 1.00 0.00 C ATOM 0 H ALA A 27 132.867 3.707 3.882 1.00 0.00 H new ATOM 0 HA ALA A 27 132.188 6.152 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.528 7.136 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.841 6.013 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.567 5.502 2.220 1.00 0.00 H new ATOM 415 N PHE A 28 129.969 4.848 3.111 1.00 0.00 N ATOM 416 CA PHE A 28 128.603 4.872 2.666 1.00 0.00 C ATOM 417 C PHE A 28 127.659 4.483 3.783 1.00 0.00 C ATOM 418 O PHE A 28 126.583 5.052 3.910 1.00 0.00 O ATOM 419 CB PHE A 28 128.410 3.945 1.468 1.00 0.00 C ATOM 420 CG PHE A 28 127.054 4.064 0.839 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.766 5.123 -0.003 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.066 3.128 1.096 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.523 5.248 -0.576 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.822 3.250 0.524 1.00 0.00 C ATOM 425 CZ PHE A 28 124.551 4.312 -0.313 1.00 0.00 C ATOM 0 H PHE A 28 130.530 4.108 2.689 1.00 0.00 H new ATOM 0 HA PHE A 28 128.371 5.892 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.171 4.167 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.566 2.914 1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.527 5.860 -0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.275 2.295 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.310 6.080 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.058 2.515 0.730 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.574 4.409 -0.763 1.00 0.00 H new ATOM 435 N THR A 29 128.066 3.536 4.603 1.00 0.00 N ATOM 436 CA THR A 29 127.225 3.081 5.680 1.00 0.00 C ATOM 437 C THR A 29 127.009 4.218 6.707 1.00 0.00 C ATOM 438 O THR A 29 125.950 4.317 7.277 1.00 0.00 O ATOM 439 CB THR A 29 127.751 1.750 6.340 1.00 0.00 C ATOM 440 OG1 THR A 29 126.686 1.022 6.961 1.00 0.00 O ATOM 441 CG2 THR A 29 128.835 2.008 7.372 1.00 0.00 C ATOM 0 H THR A 29 128.972 3.071 4.541 1.00 0.00 H new ATOM 0 HA THR A 29 126.252 2.823 5.262 1.00 0.00 H new ATOM 0 HB THR A 29 128.176 1.159 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.266 1.580 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 29 129.165 1.060 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.680 2.505 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.439 2.644 8.164 1.00 0.00 H new ATOM 449 N ARG A 30 128.010 5.123 6.873 1.00 0.00 N ATOM 450 CA ARG A 30 127.848 6.299 7.760 1.00 0.00 C ATOM 451 C ARG A 30 126.725 7.150 7.212 1.00 0.00 C ATOM 452 O ARG A 30 125.842 7.606 7.946 1.00 0.00 O ATOM 453 CB ARG A 30 129.081 7.196 7.763 1.00 0.00 C ATOM 454 CG ARG A 30 130.390 6.544 8.070 1.00 0.00 C ATOM 455 CD ARG A 30 131.487 7.562 7.916 1.00 0.00 C ATOM 456 NE ARG A 30 132.808 6.969 7.844 1.00 0.00 N ATOM 457 CZ ARG A 30 133.882 7.588 7.343 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.845 8.900 7.048 1.00 0.00 N ATOM 459 NH2 ARG A 30 134.995 6.913 7.167 1.00 0.00 N ATOM 0 H ARG A 30 128.918 5.061 6.413 1.00 0.00 H new ATOM 0 HA ARG A 30 127.664 5.924 8.767 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.159 7.669 6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.920 7.992 8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 30 130.384 6.146 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 30 130.559 5.702 7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.308 8.146 7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 30 131.452 8.255 8.757 1.00 0.00 H new ATOM 0 HE ARG A 30 132.925 6.020 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 30 132.991 9.434 7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.671 9.360 6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 30 135.036 5.924 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 30 135.819 7.378 6.785 1.00 0.00 H new ATOM 473 N PHE A 31 126.779 7.367 5.913 1.00 0.00 N ATOM 474 CA PHE A 31 125.780 8.155 5.212 1.00 0.00 C ATOM 475 C PHE A 31 124.397 7.479 5.304 1.00 0.00 C ATOM 476 O PHE A 31 123.376 8.128 5.463 1.00 0.00 O ATOM 477 CB PHE A 31 126.214 8.332 3.748 1.00 0.00 C ATOM 478 CG PHE A 31 125.271 9.138 2.917 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.276 10.514 2.993 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.372 8.517 2.065 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.405 11.260 2.239 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.499 9.259 1.311 1.00 0.00 C ATOM 483 CZ PHE A 31 123.518 10.631 1.399 1.00 0.00 C ATOM 0 H PHE A 31 127.517 7.002 5.311 1.00 0.00 H new ATOM 0 HA PHE A 31 125.697 9.137 5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 31 127.194 8.808 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.328 7.348 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.972 11.010 3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.359 7.439 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.417 12.338 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.800 8.768 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.832 11.217 0.805 1.00 0.00 H new ATOM 493 N LEU A 32 124.404 6.178 5.259 1.00 0.00 N ATOM 494 CA LEU A 32 123.193 5.395 5.295 1.00 0.00 C ATOM 495 C LEU A 32 122.608 5.365 6.734 1.00 0.00 C ATOM 496 O LEU A 32 121.392 5.187 6.929 1.00 0.00 O ATOM 497 CB LEU A 32 123.521 3.984 4.788 1.00 0.00 C ATOM 498 CG LEU A 32 122.382 3.180 4.188 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.744 3.946 3.038 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.908 1.846 3.683 1.00 0.00 C ATOM 0 H LEU A 32 125.256 5.621 5.196 1.00 0.00 H new ATOM 0 HA LEU A 32 122.432 5.840 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.307 4.069 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.935 3.414 5.620 1.00 0.00 H new ATOM 0 HG LEU A 32 121.630 3.007 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.929 3.358 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.354 4.896 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.491 4.134 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 32 122.088 1.271 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.668 2.019 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 32 123.345 1.290 4.512 1.00 0.00 H new ATOM 512 N LYS A 33 123.485 5.563 7.733 1.00 0.00 N ATOM 513 CA LYS A 33 123.090 5.594 9.150 1.00 0.00 C ATOM 514 C LYS A 33 122.234 6.805 9.472 1.00 0.00 C ATOM 515 O LYS A 33 121.193 6.668 10.110 1.00 0.00 O ATOM 516 CB LYS A 33 124.306 5.588 10.114 1.00 0.00 C ATOM 517 CG LYS A 33 125.120 4.309 10.145 1.00 0.00 C ATOM 518 CD LYS A 33 126.272 4.407 11.142 1.00 0.00 C ATOM 519 CE LYS A 33 127.205 3.191 11.081 1.00 0.00 C ATOM 520 NZ LYS A 33 126.509 1.910 11.357 1.00 0.00 N ATOM 0 H LYS A 33 124.484 5.705 7.581 1.00 0.00 H new ATOM 0 HA LYS A 33 122.514 4.681 9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.967 6.410 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.947 5.792 11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 33 124.475 3.472 10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 33 125.514 4.102 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.846 5.312 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.869 4.502 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 33 127.665 3.143 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 33 128.011 3.322 11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 127.143 1.278 11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 125.654 2.094 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 126.242 1.459 10.459 1.00 0.00 H new ATOM 534 N THR A 34 122.657 7.985 9.019 1.00 0.00 N ATOM 535 CA THR A 34 121.963 9.234 9.355 1.00 0.00 C ATOM 536 C THR A 34 120.498 9.245 8.898 1.00 0.00 C ATOM 537 O THR A 34 119.625 9.733 9.610 1.00 0.00 O ATOM 538 CB THR A 34 122.731 10.521 8.869 1.00 0.00 C ATOM 539 OG1 THR A 34 121.971 11.713 9.139 1.00 0.00 O ATOM 540 CG2 THR A 34 123.055 10.470 7.389 1.00 0.00 C ATOM 0 H THR A 34 123.474 8.105 8.420 1.00 0.00 H new ATOM 0 HA THR A 34 121.956 9.269 10.444 1.00 0.00 H new ATOM 0 HB THR A 34 123.666 10.547 9.429 1.00 0.00 H new ATOM 0 HG1 THR A 34 122.471 12.497 8.829 1.00 0.00 H new ATOM 0 HG21 THR A 34 123.584 11.378 7.101 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.684 9.603 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.131 10.391 6.817 1.00 0.00 H new ATOM 548 N GLU A 35 120.220 8.662 7.756 1.00 0.00 N ATOM 549 CA GLU A 35 118.859 8.625 7.254 1.00 0.00 C ATOM 550 C GLU A 35 118.153 7.335 7.642 1.00 0.00 C ATOM 551 O GLU A 35 117.008 7.102 7.250 1.00 0.00 O ATOM 552 CB GLU A 35 118.840 8.862 5.753 1.00 0.00 C ATOM 553 CG GLU A 35 119.756 7.955 4.956 1.00 0.00 C ATOM 554 CD GLU A 35 119.829 8.390 3.527 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.442 9.433 3.263 1.00 0.00 O ATOM 556 OE2 GLU A 35 119.225 7.731 2.651 1.00 0.00 O ATOM 0 H GLU A 35 120.910 8.208 7.157 1.00 0.00 H new ATOM 0 HA GLU A 35 118.299 9.434 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.820 8.733 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.119 9.898 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.754 7.964 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.394 6.928 5.009 1.00 0.00 H new ATOM 563 N PHE A 36 118.848 6.529 8.448 1.00 0.00 N ATOM 564 CA PHE A 36 118.369 5.248 8.968 1.00 0.00 C ATOM 565 C PHE A 36 117.849 4.338 7.868 1.00 0.00 C ATOM 566 O PHE A 36 116.679 3.924 7.866 1.00 0.00 O ATOM 567 CB PHE A 36 117.333 5.425 10.092 1.00 0.00 C ATOM 568 CG PHE A 36 117.843 6.164 11.297 1.00 0.00 C ATOM 569 CD1 PHE A 36 118.512 5.493 12.305 1.00 0.00 C ATOM 570 CD2 PHE A 36 117.640 7.530 11.426 1.00 0.00 C ATOM 571 CE1 PHE A 36 118.971 6.168 13.418 1.00 0.00 C ATOM 572 CE2 PHE A 36 118.100 8.211 12.535 1.00 0.00 C ATOM 573 CZ PHE A 36 118.765 7.529 13.532 1.00 0.00 C ATOM 0 H PHE A 36 119.790 6.758 8.766 1.00 0.00 H new ATOM 0 HA PHE A 36 119.236 4.755 9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.470 5.958 9.693 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.984 4.441 10.405 1.00 0.00 H new ATOM 0 HD1 PHE A 36 118.677 4.429 12.220 1.00 0.00 H new ATOM 0 HD2 PHE A 36 117.116 8.067 10.649 1.00 0.00 H new ATOM 0 HE1 PHE A 36 119.491 5.633 14.199 1.00 0.00 H new ATOM 0 HE2 PHE A 36 117.939 9.275 12.622 1.00 0.00 H new ATOM 0 HZ PHE A 36 119.125 8.059 14.402 1.00 0.00 H new ATOM 583 N SER A 37 118.704 4.059 6.928 1.00 0.00 N ATOM 584 CA SER A 37 118.374 3.193 5.833 1.00 0.00 C ATOM 585 C SER A 37 119.476 2.158 5.654 1.00 0.00 C ATOM 586 O SER A 37 119.567 1.487 4.623 1.00 0.00 O ATOM 587 CB SER A 37 118.162 4.021 4.562 1.00 0.00 C ATOM 588 OG SER A 37 117.107 4.969 4.752 1.00 0.00 O ATOM 0 H SER A 37 119.655 4.427 6.899 1.00 0.00 H new ATOM 0 HA SER A 37 117.445 2.664 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.084 4.541 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.921 3.362 3.728 1.00 0.00 H new ATOM 0 HG SER A 37 116.985 5.491 3.932 1.00 0.00 H new ATOM 594 N GLU A 38 120.268 1.959 6.720 1.00 0.00 N ATOM 595 CA GLU A 38 121.389 1.020 6.691 1.00 0.00 C ATOM 596 C GLU A 38 120.857 -0.420 6.604 1.00 0.00 C ATOM 597 O GLU A 38 121.565 -1.355 6.239 1.00 0.00 O ATOM 598 CB GLU A 38 122.277 1.205 7.922 1.00 0.00 C ATOM 599 CG GLU A 38 123.540 0.382 7.885 1.00 0.00 C ATOM 600 CD GLU A 38 124.380 0.561 9.101 1.00 0.00 C ATOM 601 OE1 GLU A 38 124.200 -0.190 10.071 1.00 0.00 O ATOM 602 OE2 GLU A 38 125.245 1.435 9.115 1.00 0.00 O ATOM 0 H GLU A 38 120.148 2.439 7.612 1.00 0.00 H new ATOM 0 HA GLU A 38 121.999 1.219 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.542 2.258 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 38 121.708 0.941 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 38 123.279 -0.671 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 38 124.121 0.655 7.004 1.00 0.00 H new ATOM 609 N GLU A 39 119.582 -0.552 6.901 1.00 0.00 N ATOM 610 CA GLU A 39 118.824 -1.789 6.789 1.00 0.00 C ATOM 611 C GLU A 39 118.901 -2.371 5.362 1.00 0.00 C ATOM 612 O GLU A 39 118.798 -3.573 5.170 1.00 0.00 O ATOM 613 CB GLU A 39 117.378 -1.495 7.172 1.00 0.00 C ATOM 614 CG GLU A 39 116.800 -0.299 6.421 1.00 0.00 C ATOM 615 CD GLU A 39 115.433 0.079 6.882 1.00 0.00 C ATOM 616 OE1 GLU A 39 115.307 0.561 8.025 1.00 0.00 O ATOM 617 OE2 GLU A 39 114.463 -0.097 6.116 1.00 0.00 O ATOM 0 H GLU A 39 119.019 0.228 7.241 1.00 0.00 H new ATOM 0 HA GLU A 39 119.248 -2.537 7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.767 -2.375 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 39 117.322 -1.307 8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 39 117.467 0.555 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 39 116.767 -0.528 5.356 1.00 0.00 H new ATOM 624 N ASN A 40 119.098 -1.504 4.375 1.00 0.00 N ATOM 625 CA ASN A 40 119.225 -1.934 2.982 1.00 0.00 C ATOM 626 C ASN A 40 120.581 -2.621 2.797 1.00 0.00 C ATOM 627 O ASN A 40 120.704 -3.743 2.213 1.00 0.00 O ATOM 628 CB ASN A 40 119.102 -0.725 2.020 1.00 0.00 C ATOM 629 CG ASN A 40 117.771 0.044 2.115 1.00 0.00 C ATOM 630 OD1 ASN A 40 117.724 1.251 1.859 1.00 0.00 O ATOM 631 ND2 ASN A 40 116.698 -0.626 2.469 1.00 0.00 N ATOM 0 H ASN A 40 119.174 -0.496 4.512 1.00 0.00 H new ATOM 0 HA ASN A 40 118.422 -2.632 2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.920 -0.033 2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.229 -1.079 0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 40 115.799 -0.149 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 40 116.764 -1.623 2.675 1.00 0.00 H new ATOM 638 N ILE A 41 121.599 -1.995 3.370 1.00 0.00 N ATOM 639 CA ILE A 41 122.930 -2.520 3.306 1.00 0.00 C ATOM 640 C ILE A 41 122.987 -3.832 4.088 1.00 0.00 C ATOM 641 O ILE A 41 123.553 -4.814 3.617 1.00 0.00 O ATOM 642 CB ILE A 41 124.019 -1.466 3.761 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.065 -1.299 2.647 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.690 -1.816 5.101 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.162 -0.287 2.925 1.00 0.00 C ATOM 0 H ILE A 41 121.514 -1.118 3.884 1.00 0.00 H new ATOM 0 HA ILE A 41 123.181 -2.735 2.267 1.00 0.00 H new ATOM 0 HB ILE A 41 123.503 -0.521 3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.528 -2.268 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 41 124.551 -1.009 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.425 -1.051 5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.934 -1.863 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 41 125.187 -2.783 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 41 126.845 -0.248 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.719 0.697 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.711 -0.582 3.819 1.00 0.00 H new ATOM 657 N GLU A 42 122.309 -3.883 5.241 1.00 0.00 N ATOM 658 CA GLU A 42 122.272 -5.110 5.983 1.00 0.00 C ATOM 659 C GLU A 42 121.296 -6.133 5.486 1.00 0.00 C ATOM 660 O GLU A 42 121.262 -7.261 5.985 1.00 0.00 O ATOM 661 CB GLU A 42 122.351 -5.008 7.489 1.00 0.00 C ATOM 662 CG GLU A 42 123.778 -4.844 7.969 1.00 0.00 C ATOM 663 CD GLU A 42 123.935 -5.152 9.423 1.00 0.00 C ATOM 664 OE1 GLU A 42 123.673 -4.258 10.274 1.00 0.00 O ATOM 665 OE2 GLU A 42 124.335 -6.292 9.756 1.00 0.00 O ATOM 0 H GLU A 42 121.798 -3.104 5.656 1.00 0.00 H new ATOM 0 HA GLU A 42 123.250 -5.520 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.754 -4.161 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.918 -5.902 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.429 -5.499 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.105 -3.822 7.781 1.00 0.00 H new ATOM 672 N PHE A 43 120.534 -5.767 4.496 1.00 0.00 N ATOM 673 CA PHE A 43 119.734 -6.716 3.793 1.00 0.00 C ATOM 674 C PHE A 43 120.660 -7.617 3.028 1.00 0.00 C ATOM 675 O PHE A 43 120.653 -8.840 3.207 1.00 0.00 O ATOM 676 CB PHE A 43 118.771 -6.021 2.842 1.00 0.00 C ATOM 677 CG PHE A 43 118.196 -6.919 1.792 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.225 -7.831 2.100 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.627 -6.823 0.480 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.684 -8.634 1.124 1.00 0.00 C ATOM 681 CE2 PHE A 43 118.096 -7.626 -0.498 1.00 0.00 C ATOM 682 CZ PHE A 43 117.120 -8.529 -0.178 1.00 0.00 C ATOM 0 H PHE A 43 120.453 -4.808 4.158 1.00 0.00 H new ATOM 0 HA PHE A 43 119.135 -7.291 4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 43 117.955 -5.587 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.290 -5.196 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.880 -7.921 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.392 -6.106 0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.915 -9.349 1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.447 -7.545 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.692 -9.158 -0.945 1.00 0.00 H new ATOM 692 N TRP A 44 121.505 -7.030 2.194 1.00 0.00 N ATOM 693 CA TRP A 44 122.405 -7.895 1.464 1.00 0.00 C ATOM 694 C TRP A 44 123.612 -8.352 2.263 1.00 0.00 C ATOM 695 O TRP A 44 124.268 -9.323 1.902 1.00 0.00 O ATOM 696 CB TRP A 44 122.718 -7.476 0.031 1.00 0.00 C ATOM 697 CG TRP A 44 123.228 -6.102 -0.179 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.594 -5.116 -0.856 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.475 -5.556 0.262 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.366 -4.003 -0.887 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.523 -4.241 -0.190 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.558 -6.054 0.997 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.597 -3.415 0.065 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.625 -5.228 1.253 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.638 -3.922 0.789 1.00 0.00 C ATOM 0 H TRP A 44 121.584 -6.029 2.015 1.00 0.00 H new ATOM 0 HA TRP A 44 121.809 -8.796 1.319 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.453 -8.174 -0.372 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.810 -7.593 -0.561 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.616 -5.204 -1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.125 -3.129 -1.354 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.554 -7.072 1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.615 -2.398 -0.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.464 -5.600 1.822 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.489 -3.293 1.004 1.00 0.00 H new ATOM 716 N ILE A 45 123.910 -7.666 3.349 1.00 0.00 N ATOM 717 CA ILE A 45 124.919 -8.153 4.276 1.00 0.00 C ATOM 718 C ILE A 45 124.431 -9.457 4.890 1.00 0.00 C ATOM 719 O ILE A 45 125.204 -10.407 5.022 1.00 0.00 O ATOM 720 CB ILE A 45 125.313 -7.082 5.345 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.235 -6.022 4.717 1.00 0.00 C ATOM 722 CG2 ILE A 45 125.890 -7.664 6.625 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.684 -4.918 5.648 1.00 0.00 C ATOM 0 H ILE A 45 123.476 -6.781 3.611 1.00 0.00 H new ATOM 0 HA ILE A 45 125.842 -8.350 3.731 1.00 0.00 H new ATOM 0 HB ILE A 45 124.388 -6.600 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.119 -6.522 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 45 125.718 -5.572 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.137 -6.856 7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.156 -8.323 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.792 -8.231 6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.329 -4.225 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.812 -4.383 6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.235 -5.349 6.484 1.00 0.00 H new ATOM 735 N ALA A 46 123.117 -9.522 5.179 1.00 0.00 N ATOM 736 CA ALA A 46 122.491 -10.753 5.651 1.00 0.00 C ATOM 737 C ALA A 46 122.606 -11.802 4.564 1.00 0.00 C ATOM 738 O ALA A 46 122.946 -12.940 4.831 1.00 0.00 O ATOM 739 CB ALA A 46 121.010 -10.538 5.982 1.00 0.00 C ATOM 0 H ALA A 46 122.477 -8.733 5.091 1.00 0.00 H new ATOM 0 HA ALA A 46 123.000 -11.074 6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.575 -11.475 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.918 -9.783 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.482 -10.203 5.089 1.00 0.00 H new ATOM 745 N CYS A 47 122.343 -11.376 3.340 1.00 0.00 N ATOM 746 CA CYS A 47 122.407 -12.218 2.153 1.00 0.00 C ATOM 747 C CYS A 47 123.781 -12.881 1.965 1.00 0.00 C ATOM 748 O CYS A 47 123.874 -14.096 1.900 1.00 0.00 O ATOM 749 CB CYS A 47 122.021 -11.400 0.909 1.00 0.00 C ATOM 750 SG CYS A 47 122.315 -12.218 -0.669 1.00 0.00 S ATOM 0 H CYS A 47 122.073 -10.414 3.137 1.00 0.00 H new ATOM 0 HA CYS A 47 121.692 -13.029 2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 47 120.964 -11.144 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.577 -10.463 0.923 1.00 0.00 H new ATOM 0 HG CYS A 47 123.525 -11.964 -1.070 1.00 0.00 H new ATOM 756 N GLU A 48 124.847 -12.101 1.916 1.00 0.00 N ATOM 757 CA GLU A 48 126.167 -12.676 1.662 1.00 0.00 C ATOM 758 C GLU A 48 126.650 -13.493 2.867 1.00 0.00 C ATOM 759 O GLU A 48 127.401 -14.469 2.719 1.00 0.00 O ATOM 760 CB GLU A 48 127.186 -11.612 1.283 1.00 0.00 C ATOM 761 CG GLU A 48 126.697 -10.621 0.237 1.00 0.00 C ATOM 762 CD GLU A 48 126.338 -11.303 -1.044 1.00 0.00 C ATOM 763 OE1 GLU A 48 127.259 -11.683 -1.797 1.00 0.00 O ATOM 764 OE2 GLU A 48 125.158 -11.508 -1.308 1.00 0.00 O ATOM 0 H GLU A 48 124.833 -11.089 2.045 1.00 0.00 H new ATOM 0 HA GLU A 48 126.069 -13.348 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.472 -11.064 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.085 -12.103 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 48 125.828 -10.086 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 48 127.472 -9.878 0.049 1.00 0.00 H new ATOM 771 N ASP A 49 126.188 -13.102 4.049 1.00 0.00 N ATOM 772 CA ASP A 49 126.468 -13.828 5.297 1.00 0.00 C ATOM 773 C ASP A 49 125.757 -15.173 5.270 1.00 0.00 C ATOM 774 O ASP A 49 126.267 -16.179 5.732 1.00 0.00 O ATOM 775 CB ASP A 49 125.999 -13.000 6.488 1.00 0.00 C ATOM 776 CG ASP A 49 126.072 -13.723 7.802 1.00 0.00 C ATOM 777 OD1 ASP A 49 127.159 -13.777 8.421 1.00 0.00 O ATOM 778 OD2 ASP A 49 125.023 -14.229 8.259 1.00 0.00 O ATOM 0 H ASP A 49 125.608 -12.273 4.177 1.00 0.00 H new ATOM 0 HA ASP A 49 127.541 -13.998 5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.604 -12.095 6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.970 -12.685 6.315 1.00 0.00 H new ATOM 783 N PHE A 50 124.590 -15.163 4.705 1.00 0.00 N ATOM 784 CA PHE A 50 123.795 -16.347 4.478 1.00 0.00 C ATOM 785 C PHE A 50 124.507 -17.251 3.459 1.00 0.00 C ATOM 786 O PHE A 50 124.593 -18.466 3.622 1.00 0.00 O ATOM 787 CB PHE A 50 122.427 -15.881 3.951 1.00 0.00 C ATOM 788 CG PHE A 50 121.546 -16.932 3.400 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.673 -17.596 4.206 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.590 -17.242 2.057 1.00 0.00 C ATOM 791 CE1 PHE A 50 119.856 -18.559 3.692 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.778 -18.202 1.543 1.00 0.00 C ATOM 793 CZ PHE A 50 119.907 -18.862 2.359 1.00 0.00 C ATOM 0 H PHE A 50 124.143 -14.307 4.376 1.00 0.00 H new ATOM 0 HA PHE A 50 123.661 -16.924 5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.899 -15.383 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.595 -15.134 3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.627 -17.359 5.259 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.276 -16.717 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.168 -19.083 4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.822 -18.442 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.258 -19.624 1.953 1.00 0.00 H new ATOM 803 N LYS A 51 125.030 -16.621 2.435 1.00 0.00 N ATOM 804 CA LYS A 51 125.736 -17.280 1.345 1.00 0.00 C ATOM 805 C LYS A 51 127.080 -17.878 1.768 1.00 0.00 C ATOM 806 O LYS A 51 127.634 -18.741 1.063 1.00 0.00 O ATOM 807 CB LYS A 51 125.947 -16.291 0.210 1.00 0.00 C ATOM 808 CG LYS A 51 124.694 -15.924 -0.536 1.00 0.00 C ATOM 809 CD LYS A 51 124.865 -14.724 -1.477 1.00 0.00 C ATOM 810 CE LYS A 51 126.039 -14.846 -2.452 1.00 0.00 C ATOM 811 NZ LYS A 51 127.324 -14.343 -1.902 1.00 0.00 N ATOM 0 H LYS A 51 124.979 -15.608 2.327 1.00 0.00 H new ATOM 0 HA LYS A 51 125.114 -18.113 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.394 -15.383 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 51 126.664 -16.713 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 51 124.362 -16.785 -1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 51 123.906 -15.701 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 51 123.946 -14.592 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 51 124.999 -13.824 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 51 126.159 -15.892 -2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 51 125.803 -14.295 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 128.097 -14.976 -2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 127.506 -13.386 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 127.270 -14.315 -0.864 1.00 0.00 H new ATOM 825 N LYS A 52 127.628 -17.419 2.881 1.00 0.00 N ATOM 826 CA LYS A 52 128.897 -17.957 3.354 1.00 0.00 C ATOM 827 C LYS A 52 128.673 -19.139 4.304 1.00 0.00 C ATOM 828 O LYS A 52 129.628 -19.765 4.772 1.00 0.00 O ATOM 829 CB LYS A 52 129.791 -16.872 3.996 1.00 0.00 C ATOM 830 CG LYS A 52 129.275 -16.308 5.307 1.00 0.00 C ATOM 831 CD LYS A 52 130.135 -15.163 5.829 1.00 0.00 C ATOM 832 CE LYS A 52 130.106 -13.960 4.890 1.00 0.00 C ATOM 833 NZ LYS A 52 130.805 -12.794 5.463 1.00 0.00 N ATOM 0 H LYS A 52 127.224 -16.688 3.467 1.00 0.00 H new ATOM 0 HA LYS A 52 129.436 -18.326 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 52 130.783 -17.292 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 52 129.908 -16.053 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 52 128.252 -15.957 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 52 129.242 -17.102 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 52 129.781 -14.863 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 52 131.163 -15.506 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.569 -14.230 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 52 129.071 -13.693 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 130.762 -12.000 4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 130.348 -12.520 6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 131.799 -13.040 5.644 1.00 0.00 H new ATOM 847 N SER A 53 127.419 -19.444 4.579 1.00 0.00 N ATOM 848 CA SER A 53 127.073 -20.573 5.411 1.00 0.00 C ATOM 849 C SER A 53 127.171 -21.873 4.581 1.00 0.00 C ATOM 850 O SER A 53 127.378 -21.826 3.352 1.00 0.00 O ATOM 851 CB SER A 53 125.662 -20.378 5.962 1.00 0.00 C ATOM 852 OG SER A 53 125.543 -19.114 6.627 1.00 0.00 O ATOM 0 H SER A 53 126.617 -18.917 4.232 1.00 0.00 H new ATOM 0 HA SER A 53 127.765 -20.649 6.250 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.939 -20.435 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.424 -21.183 6.657 1.00 0.00 H new ATOM 0 HG SER A 53 124.631 -19.010 6.970 1.00 0.00 H new ATOM 858 N LYS A 54 127.051 -23.010 5.229 1.00 0.00 N ATOM 859 CA LYS A 54 127.158 -24.282 4.536 1.00 0.00 C ATOM 860 C LYS A 54 126.114 -25.304 4.992 1.00 0.00 C ATOM 861 O LYS A 54 125.953 -26.358 4.373 1.00 0.00 O ATOM 862 CB LYS A 54 128.609 -24.844 4.625 1.00 0.00 C ATOM 863 CG LYS A 54 129.229 -24.907 6.038 1.00 0.00 C ATOM 864 CD LYS A 54 128.546 -25.917 6.943 1.00 0.00 C ATOM 865 CE LYS A 54 129.165 -25.951 8.321 1.00 0.00 C ATOM 866 NZ LYS A 54 128.516 -26.965 9.177 1.00 0.00 N ATOM 0 H LYS A 54 126.880 -23.084 6.232 1.00 0.00 H new ATOM 0 HA LYS A 54 126.937 -24.089 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.614 -25.849 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.253 -24.231 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.286 -25.160 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.173 -23.920 6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 54 127.487 -25.671 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 54 128.608 -26.908 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.230 -26.170 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 54 129.076 -24.969 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 128.963 -26.964 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 127.505 -26.741 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 128.623 -27.905 8.744 1.00 0.00 H new ATOM 880 N GLY A 55 125.417 -25.001 6.064 1.00 0.00 N ATOM 881 CA GLY A 55 124.434 -25.918 6.593 1.00 0.00 C ATOM 882 C GLY A 55 123.158 -25.789 5.826 1.00 0.00 C ATOM 883 O GLY A 55 122.528 -24.762 5.901 1.00 0.00 O ATOM 0 H GLY A 55 125.512 -24.129 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 55 124.806 -26.941 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.258 -25.708 7.648 1.00 0.00 H new ATOM 887 N PRO A 56 122.740 -26.816 5.086 1.00 0.00 N ATOM 888 CA PRO A 56 121.592 -26.712 4.191 1.00 0.00 C ATOM 889 C PRO A 56 120.276 -26.481 4.920 1.00 0.00 C ATOM 890 O PRO A 56 119.414 -25.769 4.423 1.00 0.00 O ATOM 891 CB PRO A 56 121.585 -28.035 3.443 1.00 0.00 C ATOM 892 CG PRO A 56 122.295 -28.982 4.343 1.00 0.00 C ATOM 893 CD PRO A 56 123.324 -28.167 5.070 1.00 0.00 C ATOM 0 HA PRO A 56 121.682 -25.847 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.568 -28.369 3.240 1.00 0.00 H new ATOM 0 HB3 PRO A 56 122.090 -27.949 2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 56 121.602 -29.450 5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 56 122.764 -29.785 3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.495 -28.543 6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.285 -28.183 4.557 1.00 0.00 H new ATOM 901 N GLN A 57 120.139 -27.027 6.113 1.00 0.00 N ATOM 902 CA GLN A 57 118.914 -26.849 6.868 1.00 0.00 C ATOM 903 C GLN A 57 118.917 -25.443 7.424 1.00 0.00 C ATOM 904 O GLN A 57 117.888 -24.768 7.448 1.00 0.00 O ATOM 905 CB GLN A 57 118.796 -27.870 7.988 1.00 0.00 C ATOM 906 CG GLN A 57 118.964 -29.308 7.539 1.00 0.00 C ATOM 907 CD GLN A 57 118.723 -30.298 8.654 1.00 0.00 C ATOM 908 OE1 GLN A 57 117.911 -30.061 9.556 1.00 0.00 O ATOM 909 NE2 GLN A 57 119.452 -31.377 8.639 1.00 0.00 N ATOM 0 H GLN A 57 120.852 -27.591 6.576 1.00 0.00 H new ATOM 0 HA GLN A 57 118.054 -27.000 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 57 119.546 -27.648 8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 57 117.821 -27.761 8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 57 118.273 -29.512 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 57 119.971 -29.447 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 57 120.111 -31.537 7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 57 119.364 -32.062 9.389 1.00 0.00 H new ATOM 918 N GLN A 58 120.119 -24.997 7.803 1.00 0.00 N ATOM 919 CA GLN A 58 120.371 -23.638 8.266 1.00 0.00 C ATOM 920 C GLN A 58 119.933 -22.662 7.177 1.00 0.00 C ATOM 921 O GLN A 58 119.305 -21.650 7.458 1.00 0.00 O ATOM 922 CB GLN A 58 121.878 -23.478 8.577 1.00 0.00 C ATOM 923 CG GLN A 58 122.342 -22.085 9.002 1.00 0.00 C ATOM 924 CD GLN A 58 121.736 -21.593 10.308 1.00 0.00 C ATOM 925 OE1 GLN A 58 121.537 -20.403 10.484 1.00 0.00 O ATOM 926 NE2 GLN A 58 121.502 -22.473 11.247 1.00 0.00 N ATOM 0 H GLN A 58 120.954 -25.583 7.795 1.00 0.00 H new ATOM 0 HA GLN A 58 119.807 -23.430 9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.140 -24.181 9.368 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.442 -23.770 7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.428 -22.091 9.098 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.096 -21.376 8.211 1.00 0.00 H new ATOM 0 HE21 GLN A 58 121.677 -23.463 11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.144 -22.169 12.153 1.00 0.00 H new ATOM 935 N ILE A 59 120.237 -23.023 5.928 1.00 0.00 N ATOM 936 CA ILE A 59 119.855 -22.244 4.752 1.00 0.00 C ATOM 937 C ILE A 59 118.342 -22.001 4.744 1.00 0.00 C ATOM 938 O ILE A 59 117.898 -20.888 4.566 1.00 0.00 O ATOM 939 CB ILE A 59 120.230 -22.969 3.421 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.713 -23.370 3.377 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.855 -22.143 2.215 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.702 -22.278 3.701 1.00 0.00 C ATOM 0 H ILE A 59 120.759 -23.870 5.705 1.00 0.00 H new ATOM 0 HA ILE A 59 120.400 -21.302 4.811 1.00 0.00 H new ATOM 0 HB ILE A 59 119.646 -23.889 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.868 -24.192 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.937 -23.752 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.131 -22.679 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.780 -21.963 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.383 -21.190 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.715 -22.675 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.588 -21.461 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.518 -21.908 4.710 1.00 0.00 H new ATOM 954 N HIS A 60 117.576 -23.064 4.972 1.00 0.00 N ATOM 955 CA HIS A 60 116.097 -22.990 4.984 1.00 0.00 C ATOM 956 C HIS A 60 115.601 -21.961 5.969 1.00 0.00 C ATOM 957 O HIS A 60 114.952 -20.984 5.589 1.00 0.00 O ATOM 958 CB HIS A 60 115.444 -24.344 5.319 1.00 0.00 C ATOM 959 CG HIS A 60 115.590 -25.388 4.259 1.00 0.00 C ATOM 960 ND1 HIS A 60 114.627 -25.657 3.321 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.592 -26.218 3.995 1.00 0.00 C ATOM 962 CE1 HIS A 60 115.047 -26.612 2.522 1.00 0.00 C ATOM 963 NE2 HIS A 60 116.243 -26.967 2.914 1.00 0.00 N ATOM 0 H HIS A 60 117.946 -23.997 5.153 1.00 0.00 H new ATOM 0 HA HIS A 60 115.809 -22.701 3.973 1.00 0.00 H new ATOM 0 HB2 HIS A 60 115.878 -24.722 6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.383 -24.183 5.508 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.521 -26.287 4.542 1.00 0.00 H new ATOM 0 HE1 HIS A 60 114.501 -27.030 1.689 1.00 0.00 H new ATOM 0 HE2 HIS A 60 116.820 -27.688 2.480 1.00 0.00 H new ATOM 972 N LEU A 61 115.958 -22.154 7.212 1.00 0.00 N ATOM 973 CA LEU A 61 115.491 -21.317 8.296 1.00 0.00 C ATOM 974 C LEU A 61 116.003 -19.882 8.196 1.00 0.00 C ATOM 975 O LEU A 61 115.304 -18.936 8.578 1.00 0.00 O ATOM 976 CB LEU A 61 115.810 -21.988 9.630 1.00 0.00 C ATOM 977 CG LEU A 61 117.261 -22.390 9.866 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.019 -21.351 10.668 1.00 0.00 C ATOM 979 CD2 LEU A 61 117.338 -23.769 10.488 1.00 0.00 C ATOM 0 H LEU A 61 116.586 -22.902 7.507 1.00 0.00 H new ATOM 0 HA LEU A 61 114.408 -21.219 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 61 115.510 -21.312 10.431 1.00 0.00 H new ATOM 0 HB3 LEU A 61 115.191 -22.881 9.718 1.00 0.00 H new ATOM 0 HG LEU A 61 117.757 -22.438 8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 61 119.048 -21.681 10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.014 -20.402 10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.541 -21.221 11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 61 118.382 -24.038 10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 61 116.813 -23.767 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 61 116.875 -24.496 9.820 1.00 0.00 H new ATOM 991 N LYS A 62 117.203 -19.726 7.691 1.00 0.00 N ATOM 992 CA LYS A 62 117.777 -18.404 7.442 1.00 0.00 C ATOM 993 C LYS A 62 117.073 -17.698 6.298 1.00 0.00 C ATOM 994 O LYS A 62 116.648 -16.552 6.445 1.00 0.00 O ATOM 995 CB LYS A 62 119.266 -18.504 7.150 1.00 0.00 C ATOM 996 CG LYS A 62 120.150 -18.555 8.367 1.00 0.00 C ATOM 997 CD LYS A 62 120.285 -17.179 8.996 1.00 0.00 C ATOM 998 CE LYS A 62 121.162 -17.210 10.233 1.00 0.00 C ATOM 999 NZ LYS A 62 122.483 -17.831 9.981 1.00 0.00 N ATOM 0 H LYS A 62 117.816 -20.501 7.438 1.00 0.00 H new ATOM 0 HA LYS A 62 117.634 -17.815 8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.445 -19.398 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 62 119.560 -17.649 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.735 -19.253 9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.135 -18.931 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.707 -16.486 8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 62 119.297 -16.801 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.307 -16.193 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 62 120.651 -17.761 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.181 -17.445 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.413 -18.861 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.784 -17.624 9.007 1.00 0.00 H new ATOM 1013 N ALA A 63 116.926 -18.391 5.175 1.00 0.00 N ATOM 1014 CA ALA A 63 116.292 -17.822 4.001 1.00 0.00 C ATOM 1015 C ALA A 63 114.870 -17.440 4.307 1.00 0.00 C ATOM 1016 O ALA A 63 114.460 -16.343 4.018 1.00 0.00 O ATOM 1017 CB ALA A 63 116.351 -18.769 2.814 1.00 0.00 C ATOM 0 H ALA A 63 117.241 -19.354 5.057 1.00 0.00 H new ATOM 0 HA ALA A 63 116.846 -16.924 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.866 -18.306 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.392 -18.983 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.838 -19.698 3.064 1.00 0.00 H new ATOM 1023 N LYS A 64 114.137 -18.345 4.938 1.00 0.00 N ATOM 1024 CA LYS A 64 112.756 -18.077 5.348 1.00 0.00 C ATOM 1025 C LYS A 64 112.667 -16.887 6.297 1.00 0.00 C ATOM 1026 O LYS A 64 111.697 -16.106 6.242 1.00 0.00 O ATOM 1027 CB LYS A 64 112.106 -19.308 5.992 1.00 0.00 C ATOM 1028 CG LYS A 64 111.786 -20.448 5.027 1.00 0.00 C ATOM 1029 CD LYS A 64 110.747 -20.039 3.979 1.00 0.00 C ATOM 1030 CE LYS A 64 109.407 -19.622 4.606 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.787 -20.708 5.394 1.00 0.00 N ATOM 0 H LYS A 64 114.472 -19.277 5.181 1.00 0.00 H new ATOM 0 HA LYS A 64 112.207 -17.833 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.770 -19.686 6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 64 111.184 -18.998 6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 64 112.700 -20.766 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 64 111.416 -21.305 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 64 111.140 -19.212 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.580 -20.871 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 64 109.564 -18.756 5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.721 -19.313 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.842 -20.411 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.703 -21.561 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 109.379 -20.917 6.223 1.00 0.00 H new ATOM 1045 N ALA A 65 113.669 -16.733 7.147 1.00 0.00 N ATOM 1046 CA ALA A 65 113.707 -15.630 8.088 1.00 0.00 C ATOM 1047 C ALA A 65 113.889 -14.316 7.348 1.00 0.00 C ATOM 1048 O ALA A 65 113.097 -13.388 7.514 1.00 0.00 O ATOM 1049 CB ALA A 65 114.815 -15.823 9.111 1.00 0.00 C ATOM 0 H ALA A 65 114.470 -17.362 7.203 1.00 0.00 H new ATOM 0 HA ALA A 65 112.757 -15.604 8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 65 114.821 -14.982 9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 65 114.643 -16.747 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 65 115.776 -15.879 8.600 1.00 0.00 H new ATOM 1055 N ILE A 66 114.911 -14.258 6.502 1.00 0.00 N ATOM 1056 CA ILE A 66 115.222 -13.065 5.717 1.00 0.00 C ATOM 1057 C ILE A 66 114.083 -12.783 4.713 1.00 0.00 C ATOM 1058 O ILE A 66 113.760 -11.642 4.424 1.00 0.00 O ATOM 1059 CB ILE A 66 116.608 -13.217 4.990 1.00 0.00 C ATOM 1060 CG1 ILE A 66 117.720 -13.492 6.024 1.00 0.00 C ATOM 1061 CG2 ILE A 66 116.949 -11.982 4.151 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.106 -13.707 5.433 1.00 0.00 C ATOM 0 H ILE A 66 115.549 -15.037 6.339 1.00 0.00 H new ATOM 0 HA ILE A 66 115.303 -12.211 6.390 1.00 0.00 H new ATOM 0 HB ILE A 66 116.536 -14.064 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 66 117.764 -12.654 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.447 -14.374 6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.914 -12.127 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.180 -11.833 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 66 116.996 -11.105 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 66 119.819 -13.893 6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.086 -14.564 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.407 -12.818 4.879 1.00 0.00 H new ATOM 1074 N TYR A 67 113.463 -13.838 4.240 1.00 0.00 N ATOM 1075 CA TYR A 67 112.327 -13.765 3.337 1.00 0.00 C ATOM 1076 C TYR A 67 111.172 -12.955 3.941 1.00 0.00 C ATOM 1077 O TYR A 67 110.878 -11.863 3.478 1.00 0.00 O ATOM 1078 CB TYR A 67 111.866 -15.186 2.981 1.00 0.00 C ATOM 1079 CG TYR A 67 110.659 -15.267 2.097 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.706 -14.826 0.792 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.470 -15.794 2.574 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.608 -14.900 -0.021 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.358 -15.880 1.775 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.420 -15.437 0.481 1.00 0.00 C ATOM 1085 OH TYR A 67 107.299 -15.528 -0.309 1.00 0.00 O ATOM 0 H TYR A 67 113.736 -14.793 4.474 1.00 0.00 H new ATOM 0 HA TYR A 67 112.641 -13.247 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.690 -15.705 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 67 111.655 -15.724 3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.626 -14.415 0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.417 -16.144 3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.659 -14.547 -1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.440 -16.294 2.164 1.00 0.00 H new ATOM 0 HH TYR A 67 106.567 -15.928 0.206 1.00 0.00 H new ATOM 1095 N GLU A 68 110.578 -13.442 5.016 1.00 0.00 N ATOM 1096 CA GLU A 68 109.389 -12.782 5.572 1.00 0.00 C ATOM 1097 C GLU A 68 109.705 -11.506 6.337 1.00 0.00 C ATOM 1098 O GLU A 68 108.811 -10.722 6.658 1.00 0.00 O ATOM 1099 CB GLU A 68 108.572 -13.723 6.430 1.00 0.00 C ATOM 1100 CG GLU A 68 107.995 -14.897 5.668 1.00 0.00 C ATOM 1101 CD GLU A 68 107.002 -15.662 6.480 1.00 0.00 C ATOM 1102 OE1 GLU A 68 107.399 -16.504 7.296 1.00 0.00 O ATOM 1103 OE2 GLU A 68 105.791 -15.423 6.326 1.00 0.00 O ATOM 0 H GLU A 68 110.884 -14.274 5.520 1.00 0.00 H new ATOM 0 HA GLU A 68 108.792 -12.492 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 68 109.198 -14.099 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 68 107.757 -13.165 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 68 107.517 -14.537 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 68 108.803 -15.563 5.363 1.00 0.00 H new ATOM 1110 N LYS A 69 110.946 -11.310 6.632 1.00 0.00 N ATOM 1111 CA LYS A 69 111.387 -10.135 7.342 1.00 0.00 C ATOM 1112 C LYS A 69 111.812 -9.023 6.375 1.00 0.00 C ATOM 1113 O LYS A 69 111.764 -7.836 6.715 1.00 0.00 O ATOM 1114 CB LYS A 69 112.524 -10.545 8.274 1.00 0.00 C ATOM 1115 CG LYS A 69 113.229 -9.442 9.028 1.00 0.00 C ATOM 1116 CD LYS A 69 114.204 -10.037 10.037 1.00 0.00 C ATOM 1117 CE LYS A 69 115.232 -10.955 9.387 1.00 0.00 C ATOM 1118 NZ LYS A 69 116.083 -11.606 10.391 1.00 0.00 N ATOM 0 H LYS A 69 111.695 -11.959 6.390 1.00 0.00 H new ATOM 0 HA LYS A 69 110.566 -9.724 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 69 112.126 -11.251 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 69 113.268 -11.080 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 69 113.764 -8.798 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 69 112.498 -8.817 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 69 114.720 -9.230 10.557 1.00 0.00 H new ATOM 0 HD3 LYS A 69 113.647 -10.596 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 69 114.721 -11.714 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.853 -10.379 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 116.771 -12.223 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 116.589 -10.882 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 115.492 -12.175 11.031 1.00 0.00 H new ATOM 1132 N PHE A 70 112.126 -9.393 5.153 1.00 0.00 N ATOM 1133 CA PHE A 70 112.679 -8.455 4.211 1.00 0.00 C ATOM 1134 C PHE A 70 112.027 -8.576 2.848 1.00 0.00 C ATOM 1135 O PHE A 70 111.383 -7.638 2.384 1.00 0.00 O ATOM 1136 CB PHE A 70 114.207 -8.640 4.067 1.00 0.00 C ATOM 1137 CG PHE A 70 115.054 -8.123 5.195 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.276 -6.762 5.335 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.650 -8.988 6.091 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.071 -6.275 6.349 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.451 -8.507 7.106 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.661 -7.149 7.235 1.00 0.00 C ATOM 0 H PHE A 70 112.006 -10.339 4.791 1.00 0.00 H new ATOM 0 HA PHE A 70 112.475 -7.460 4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.412 -9.704 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.525 -8.148 3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.819 -6.074 4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.488 -10.052 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.231 -5.212 6.449 1.00 0.00 H new ATOM 0 HE2 PHE A 70 116.914 -9.193 7.800 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.287 -6.772 8.030 1.00 0.00 H new ATOM 1152 N ILE A 71 112.185 -9.747 2.226 1.00 0.00 N ATOM 1153 CA ILE A 71 111.710 -10.015 0.849 1.00 0.00 C ATOM 1154 C ILE A 71 110.233 -9.773 0.732 1.00 0.00 C ATOM 1155 O ILE A 71 109.747 -9.278 -0.303 1.00 0.00 O ATOM 1156 CB ILE A 71 112.027 -11.488 0.427 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.540 -11.710 0.425 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.399 -11.892 -0.933 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.307 -10.700 -0.410 1.00 0.00 C ATOM 0 H ILE A 71 112.648 -10.546 2.659 1.00 0.00 H new ATOM 0 HA ILE A 71 112.236 -9.330 0.184 1.00 0.00 H new ATOM 0 HB ILE A 71 111.562 -12.140 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.905 -11.671 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.750 -12.712 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.660 -12.925 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.315 -11.796 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.780 -11.239 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.373 -10.923 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.971 -10.754 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 71 114.128 -9.697 -0.023 1.00 0.00 H new ATOM 1171 N GLN A 72 109.540 -10.079 1.805 1.00 0.00 N ATOM 1172 CA GLN A 72 108.116 -9.954 1.864 1.00 0.00 C ATOM 1173 C GLN A 72 107.708 -8.488 1.670 1.00 0.00 C ATOM 1174 O GLN A 72 108.411 -7.571 2.107 1.00 0.00 O ATOM 1175 CB GLN A 72 107.603 -10.477 3.206 1.00 0.00 C ATOM 1176 CG GLN A 72 106.103 -10.608 3.260 1.00 0.00 C ATOM 1177 CD GLN A 72 105.601 -11.635 2.275 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.318 -11.313 1.129 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.456 -12.848 2.711 1.00 0.00 N ATOM 0 H GLN A 72 109.962 -10.425 2.667 1.00 0.00 H new ATOM 0 HA GLN A 72 107.672 -10.547 1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.053 -11.449 3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 72 107.931 -9.805 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 72 105.797 -10.889 4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.645 -9.643 3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 72 105.703 -13.077 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.095 -13.573 2.091 1.00 0.00 H new ATOM 1188 N THR A 73 106.617 -8.271 0.991 1.00 0.00 N ATOM 1189 CA THR A 73 106.132 -6.931 0.769 1.00 0.00 C ATOM 1190 C THR A 73 105.573 -6.380 2.074 1.00 0.00 C ATOM 1191 O THR A 73 105.948 -5.306 2.516 1.00 0.00 O ATOM 1192 CB THR A 73 105.096 -6.915 -0.363 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.711 -7.484 -1.527 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.642 -5.499 -0.680 1.00 0.00 C ATOM 0 H THR A 73 106.042 -9.006 0.579 1.00 0.00 H new ATOM 0 HA THR A 73 106.951 -6.285 0.452 1.00 0.00 H new ATOM 0 HB THR A 73 104.220 -7.485 -0.056 1.00 0.00 H new ATOM 0 HG1 THR A 73 105.069 -7.488 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.909 -5.524 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 73 104.191 -5.054 0.207 1.00 0.00 H new ATOM 0 HG23 THR A 73 105.500 -4.902 -0.989 1.00 0.00 H new ATOM 1202 N ASP A 74 104.720 -7.137 2.711 1.00 0.00 N ATOM 1203 CA ASP A 74 104.270 -6.771 4.031 1.00 0.00 C ATOM 1204 C ASP A 74 105.179 -7.411 5.050 1.00 0.00 C ATOM 1205 O ASP A 74 104.878 -8.473 5.622 1.00 0.00 O ATOM 1206 CB ASP A 74 102.795 -7.106 4.289 1.00 0.00 C ATOM 1207 CG ASP A 74 101.847 -6.230 3.501 1.00 0.00 C ATOM 1208 OD1 ASP A 74 101.662 -5.052 3.866 1.00 0.00 O ATOM 1209 OD2 ASP A 74 101.252 -6.706 2.493 1.00 0.00 O ATOM 0 H ASP A 74 104.325 -8.003 2.344 1.00 0.00 H new ATOM 0 HA ASP A 74 104.326 -5.686 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.615 -8.150 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 74 102.583 -6.997 5.353 1.00 0.00 H new ATOM 1214 N ALA A 75 106.336 -6.822 5.180 1.00 0.00 N ATOM 1215 CA ALA A 75 107.371 -7.291 6.065 1.00 0.00 C ATOM 1216 C ALA A 75 107.644 -6.235 7.102 1.00 0.00 C ATOM 1217 O ALA A 75 107.325 -5.077 6.884 1.00 0.00 O ATOM 1218 CB ALA A 75 108.641 -7.549 5.272 1.00 0.00 C ATOM 0 H ALA A 75 106.593 -5.982 4.662 1.00 0.00 H new ATOM 0 HA ALA A 75 107.049 -8.214 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.423 -7.904 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.447 -8.304 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.965 -6.625 4.793 1.00 0.00 H new ATOM 1224 N PRO A 76 108.239 -6.603 8.245 1.00 0.00 N ATOM 1225 CA PRO A 76 108.588 -5.640 9.296 1.00 0.00 C ATOM 1226 C PRO A 76 109.685 -4.662 8.845 1.00 0.00 C ATOM 1227 O PRO A 76 109.840 -3.583 9.414 1.00 0.00 O ATOM 1228 CB PRO A 76 109.101 -6.528 10.440 1.00 0.00 C ATOM 1229 CG PRO A 76 109.526 -7.790 9.778 1.00 0.00 C ATOM 1230 CD PRO A 76 108.586 -7.987 8.637 1.00 0.00 C ATOM 0 HA PRO A 76 107.740 -5.014 9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 76 109.932 -6.057 10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.321 -6.712 11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 76 110.556 -7.720 9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 76 109.481 -8.630 10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.055 -8.532 7.818 1.00 0.00 H new ATOM 0 HD3 PRO A 76 107.704 -8.555 8.934 1.00 0.00 H new ATOM 1238 N LYS A 77 110.443 -5.046 7.831 1.00 0.00 N ATOM 1239 CA LYS A 77 111.506 -4.193 7.327 1.00 0.00 C ATOM 1240 C LYS A 77 111.250 -3.755 5.895 1.00 0.00 C ATOM 1241 O LYS A 77 111.301 -2.558 5.599 1.00 0.00 O ATOM 1242 CB LYS A 77 112.877 -4.869 7.462 1.00 0.00 C ATOM 1243 CG LYS A 77 113.378 -4.978 8.895 1.00 0.00 C ATOM 1244 CD LYS A 77 113.641 -3.596 9.481 1.00 0.00 C ATOM 1245 CE LYS A 77 114.092 -3.656 10.932 1.00 0.00 C ATOM 1246 NZ LYS A 77 115.344 -4.415 11.105 1.00 0.00 N ATOM 0 H LYS A 77 110.343 -5.936 7.344 1.00 0.00 H new ATOM 0 HA LYS A 77 111.514 -3.295 7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.821 -5.869 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.605 -4.309 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.642 -5.502 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 77 114.293 -5.570 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.404 -3.092 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 77 112.734 -2.996 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 77 114.231 -2.642 11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 77 113.307 -4.114 11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 115.671 -4.327 12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 115.176 -5.417 10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 116.070 -4.037 10.464 1.00 0.00 H new ATOM 1260 N GLU A 78 110.950 -4.732 5.020 1.00 0.00 N ATOM 1261 CA GLU A 78 110.703 -4.511 3.573 1.00 0.00 C ATOM 1262 C GLU A 78 112.006 -4.236 2.827 1.00 0.00 C ATOM 1263 O GLU A 78 112.966 -3.733 3.400 1.00 0.00 O ATOM 1264 CB GLU A 78 109.679 -3.408 3.308 1.00 0.00 C ATOM 1265 CG GLU A 78 108.303 -3.701 3.854 1.00 0.00 C ATOM 1266 CD GLU A 78 107.371 -2.551 3.646 1.00 0.00 C ATOM 1267 OE1 GLU A 78 107.129 -2.182 2.486 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.875 -1.982 4.647 1.00 0.00 O ATOM 0 H GLU A 78 110.870 -5.711 5.296 1.00 0.00 H new ATOM 0 HA GLU A 78 110.273 -5.436 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.041 -2.478 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 78 109.605 -3.247 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.900 -4.589 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.374 -3.925 4.918 1.00 0.00 H new ATOM 1275 N VAL A 79 112.042 -4.567 1.556 1.00 0.00 N ATOM 1276 CA VAL A 79 113.282 -4.473 0.773 1.00 0.00 C ATOM 1277 C VAL A 79 113.167 -3.542 -0.409 1.00 0.00 C ATOM 1278 O VAL A 79 114.146 -3.201 -1.048 1.00 0.00 O ATOM 1279 CB VAL A 79 113.726 -5.915 0.371 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.759 -5.986 -0.719 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.274 -6.562 1.565 1.00 0.00 C ATOM 0 H VAL A 79 111.235 -4.905 1.031 1.00 0.00 H new ATOM 0 HA VAL A 79 114.057 -4.021 1.392 1.00 0.00 H new ATOM 0 HB VAL A 79 112.840 -6.411 -0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.000 -7.029 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.367 -5.519 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.660 -5.462 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.594 -7.574 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 79 115.128 -5.991 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.509 -6.604 2.340 1.00 0.00 H new ATOM 1291 N ASN A 80 111.996 -3.033 -0.570 1.00 0.00 N ATOM 1292 CA ASN A 80 111.575 -2.298 -1.784 1.00 0.00 C ATOM 1293 C ASN A 80 112.147 -2.939 -3.045 1.00 0.00 C ATOM 1294 O ASN A 80 112.742 -2.301 -3.914 1.00 0.00 O ATOM 1295 CB ASN A 80 111.650 -0.718 -1.752 1.00 0.00 C ATOM 1296 CG ASN A 80 113.013 -0.013 -1.548 1.00 0.00 C ATOM 1297 OD1 ASN A 80 113.247 1.046 -2.135 1.00 0.00 O ATOM 1298 ND2 ASN A 80 113.847 -0.484 -0.677 1.00 0.00 N ATOM 0 H ASN A 80 111.263 -3.100 0.136 1.00 0.00 H new ATOM 0 HA ASN A 80 110.492 -2.424 -1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 80 111.234 -0.354 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 80 110.987 -0.378 -0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 80 114.708 0.022 -0.470 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.643 -1.361 -0.198 1.00 0.00 H new ATOM 1305 N LEU A 81 111.954 -4.242 -3.084 1.00 0.00 N ATOM 1306 CA LEU A 81 112.501 -5.129 -4.059 1.00 0.00 C ATOM 1307 C LEU A 81 111.650 -5.226 -5.312 1.00 0.00 C ATOM 1308 O LEU A 81 110.412 -5.193 -5.248 1.00 0.00 O ATOM 1309 CB LEU A 81 112.626 -6.502 -3.399 1.00 0.00 C ATOM 1310 CG LEU A 81 113.169 -7.645 -4.225 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.590 -7.385 -4.550 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.030 -8.956 -3.473 1.00 0.00 C ATOM 0 H LEU A 81 111.378 -4.724 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 81 113.469 -4.747 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.264 -6.393 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 81 111.638 -6.790 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 81 112.597 -7.722 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 81 114.984 -8.209 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.670 -6.457 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.164 -7.298 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.426 -9.769 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.586 -8.900 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 81 111.978 -9.143 -3.259 1.00 0.00 H new ATOM 1324 N ASP A 82 112.345 -5.308 -6.432 1.00 0.00 N ATOM 1325 CA ASP A 82 111.784 -5.542 -7.764 1.00 0.00 C ATOM 1326 C ASP A 82 110.780 -6.696 -7.752 1.00 0.00 C ATOM 1327 O ASP A 82 111.027 -7.749 -7.132 1.00 0.00 O ATOM 1328 CB ASP A 82 112.929 -5.864 -8.733 1.00 0.00 C ATOM 1329 CG ASP A 82 112.478 -6.174 -10.142 1.00 0.00 C ATOM 1330 OD1 ASP A 82 112.372 -5.238 -10.965 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.229 -7.356 -10.459 1.00 0.00 O ATOM 0 H ASP A 82 113.360 -5.210 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 82 111.256 -4.644 -8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.616 -5.018 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.489 -6.716 -8.347 1.00 0.00 H new ATOM 1336 N PHE A 83 109.685 -6.495 -8.459 1.00 0.00 N ATOM 1337 CA PHE A 83 108.561 -7.417 -8.512 1.00 0.00 C ATOM 1338 C PHE A 83 108.989 -8.807 -9.006 1.00 0.00 C ATOM 1339 O PHE A 83 108.688 -9.822 -8.366 1.00 0.00 O ATOM 1340 CB PHE A 83 107.471 -6.812 -9.413 1.00 0.00 C ATOM 1341 CG PHE A 83 106.184 -7.580 -9.482 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.294 -7.561 -8.420 1.00 0.00 C ATOM 1343 CD2 PHE A 83 105.849 -8.293 -10.620 1.00 0.00 C ATOM 1344 CE1 PHE A 83 104.096 -8.241 -8.491 1.00 0.00 C ATOM 1345 CE2 PHE A 83 104.655 -8.978 -10.695 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.776 -8.952 -9.631 1.00 0.00 C ATOM 0 H PHE A 83 109.546 -5.662 -9.030 1.00 0.00 H new ATOM 0 HA PHE A 83 108.165 -7.558 -7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 83 107.253 -5.804 -9.061 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.871 -6.718 -10.423 1.00 0.00 H new ATOM 0 HD1 PHE A 83 105.541 -7.007 -7.526 1.00 0.00 H new ATOM 0 HD2 PHE A 83 106.530 -8.313 -11.458 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.410 -8.217 -7.657 1.00 0.00 H new ATOM 0 HE2 PHE A 83 104.407 -9.535 -11.586 1.00 0.00 H new ATOM 0 HZ PHE A 83 102.840 -9.487 -9.690 1.00 0.00 H new ATOM 1356 N HIS A 84 109.719 -8.850 -10.106 1.00 0.00 N ATOM 1357 CA HIS A 84 110.171 -10.115 -10.664 1.00 0.00 C ATOM 1358 C HIS A 84 111.224 -10.767 -9.766 1.00 0.00 C ATOM 1359 O HIS A 84 111.260 -11.993 -9.641 1.00 0.00 O ATOM 1360 CB HIS A 84 110.689 -9.953 -12.109 1.00 0.00 C ATOM 1361 CG HIS A 84 111.178 -11.237 -12.725 1.00 0.00 C ATOM 1362 ND1 HIS A 84 110.338 -12.211 -13.189 1.00 0.00 N ATOM 1363 CD2 HIS A 84 112.426 -11.717 -12.897 1.00 0.00 C ATOM 1364 CE1 HIS A 84 111.038 -13.234 -13.610 1.00 0.00 C ATOM 1365 NE2 HIS A 84 112.311 -12.958 -13.447 1.00 0.00 N ATOM 0 H HIS A 84 110.012 -8.026 -10.631 1.00 0.00 H new ATOM 0 HA HIS A 84 109.308 -10.779 -10.706 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.890 -9.545 -12.728 1.00 0.00 H new ATOM 0 HB3 HIS A 84 111.501 -9.225 -12.115 1.00 0.00 H new ATOM 0 HD2 HIS A 84 113.347 -11.211 -12.645 1.00 0.00 H new ATOM 0 HE1 HIS A 84 110.637 -14.149 -14.021 1.00 0.00 H new ATOM 0 HE2 HIS A 84 113.087 -13.572 -13.692 1.00 0.00 H new ATOM 1374 N THR A 85 112.072 -9.960 -9.155 1.00 0.00 N ATOM 1375 CA THR A 85 113.057 -10.488 -8.243 1.00 0.00 C ATOM 1376 C THR A 85 112.364 -11.152 -7.043 1.00 0.00 C ATOM 1377 O THR A 85 112.714 -12.285 -6.676 1.00 0.00 O ATOM 1378 CB THR A 85 114.061 -9.409 -7.793 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.753 -8.885 -8.957 1.00 0.00 O ATOM 1380 CG2 THR A 85 115.077 -9.996 -6.815 1.00 0.00 C ATOM 0 H THR A 85 112.095 -8.947 -9.275 1.00 0.00 H new ATOM 0 HA THR A 85 113.634 -11.247 -8.771 1.00 0.00 H new ATOM 0 HB THR A 85 113.518 -8.608 -7.291 1.00 0.00 H new ATOM 0 HG1 THR A 85 115.719 -9.013 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.778 -9.219 -6.508 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.557 -10.382 -5.938 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.622 -10.806 -7.299 1.00 0.00 H new ATOM 1388 N LYS A 86 111.357 -10.462 -6.470 1.00 0.00 N ATOM 1389 CA LYS A 86 110.531 -11.027 -5.392 1.00 0.00 C ATOM 1390 C LYS A 86 109.954 -12.351 -5.833 1.00 0.00 C ATOM 1391 O LYS A 86 110.077 -13.340 -5.130 1.00 0.00 O ATOM 1392 CB LYS A 86 109.346 -10.133 -5.021 1.00 0.00 C ATOM 1393 CG LYS A 86 109.642 -8.837 -4.314 1.00 0.00 C ATOM 1394 CD LYS A 86 108.364 -8.019 -4.195 1.00 0.00 C ATOM 1395 CE LYS A 86 108.511 -6.871 -3.223 1.00 0.00 C ATOM 1396 NZ LYS A 86 108.500 -7.327 -1.809 1.00 0.00 N ATOM 0 H LYS A 86 111.099 -9.512 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 86 111.188 -11.128 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 86 108.803 -9.899 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 86 108.673 -10.713 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 86 110.052 -9.036 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 86 110.396 -8.275 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 86 108.091 -7.630 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.549 -8.666 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.443 -6.343 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 86 107.701 -6.159 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.930 -6.597 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.519 -7.493 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 109.043 -8.210 -1.725 1.00 0.00 H new ATOM 1410 N GLU A 87 109.342 -12.349 -7.022 1.00 0.00 N ATOM 1411 CA GLU A 87 108.699 -13.526 -7.594 1.00 0.00 C ATOM 1412 C GLU A 87 109.598 -14.749 -7.549 1.00 0.00 C ATOM 1413 O GLU A 87 109.215 -15.792 -7.001 1.00 0.00 O ATOM 1414 CB GLU A 87 108.247 -13.267 -9.033 1.00 0.00 C ATOM 1415 CG GLU A 87 107.664 -14.497 -9.706 1.00 0.00 C ATOM 1416 CD GLU A 87 107.244 -14.253 -11.114 1.00 0.00 C ATOM 1417 OE1 GLU A 87 108.097 -14.254 -12.016 1.00 0.00 O ATOM 1418 OE2 GLU A 87 106.049 -14.066 -11.353 1.00 0.00 O ATOM 0 H GLU A 87 109.281 -11.522 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 87 107.823 -13.729 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.502 -12.471 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 87 109.096 -12.910 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 87 108.403 -15.298 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 87 106.805 -14.844 -9.132 1.00 0.00 H new ATOM 1425 N VAL A 88 110.795 -14.619 -8.062 1.00 0.00 N ATOM 1426 CA VAL A 88 111.693 -15.749 -8.119 1.00 0.00 C ATOM 1427 C VAL A 88 112.031 -16.261 -6.706 1.00 0.00 C ATOM 1428 O VAL A 88 112.081 -17.478 -6.470 1.00 0.00 O ATOM 1429 CB VAL A 88 112.975 -15.449 -8.923 1.00 0.00 C ATOM 1430 CG1 VAL A 88 113.779 -16.713 -9.080 1.00 0.00 C ATOM 1431 CG2 VAL A 88 112.633 -14.873 -10.290 1.00 0.00 C ATOM 0 H VAL A 88 111.170 -13.751 -8.444 1.00 0.00 H new ATOM 0 HA VAL A 88 111.167 -16.540 -8.654 1.00 0.00 H new ATOM 0 HB VAL A 88 113.564 -14.710 -8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 88 114.685 -16.500 -9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 88 114.050 -17.097 -8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 88 113.185 -17.458 -9.609 1.00 0.00 H new ATOM 0 HG21 VAL A 88 113.552 -14.669 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 88 112.029 -15.590 -10.846 1.00 0.00 H new ATOM 0 HG23 VAL A 88 112.072 -13.947 -10.165 1.00 0.00 H new ATOM 1441 N ILE A 89 112.164 -15.338 -5.763 1.00 0.00 N ATOM 1442 CA ILE A 89 112.444 -15.689 -4.378 1.00 0.00 C ATOM 1443 C ILE A 89 111.240 -16.400 -3.788 1.00 0.00 C ATOM 1444 O ILE A 89 111.368 -17.469 -3.211 1.00 0.00 O ATOM 1445 CB ILE A 89 112.749 -14.433 -3.520 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.916 -13.662 -4.125 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.048 -14.811 -2.058 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.217 -12.367 -3.433 1.00 0.00 C ATOM 0 H ILE A 89 112.082 -14.336 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 89 113.321 -16.336 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 89 111.864 -13.796 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.806 -14.291 -4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.699 -13.460 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.257 -13.908 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.185 -15.321 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.914 -15.472 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.060 -11.880 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.343 -11.717 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.467 -12.561 -2.390 1.00 0.00 H new ATOM 1460 N THR A 90 110.063 -15.837 -4.013 1.00 0.00 N ATOM 1461 CA THR A 90 108.832 -16.362 -3.460 1.00 0.00 C ATOM 1462 C THR A 90 108.535 -17.807 -3.927 1.00 0.00 C ATOM 1463 O THR A 90 107.845 -18.553 -3.240 1.00 0.00 O ATOM 1464 CB THR A 90 107.616 -15.411 -3.719 1.00 0.00 C ATOM 1465 OG1 THR A 90 107.417 -15.193 -5.124 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.839 -14.062 -3.050 1.00 0.00 C ATOM 0 H THR A 90 109.938 -15.002 -4.585 1.00 0.00 H new ATOM 0 HA THR A 90 108.983 -16.408 -2.381 1.00 0.00 H new ATOM 0 HB THR A 90 106.734 -15.895 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 90 108.205 -15.503 -5.618 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.983 -13.415 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.954 -14.203 -1.975 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.740 -13.600 -3.453 1.00 0.00 H new ATOM 1474 N ASN A 91 109.084 -18.215 -5.071 1.00 0.00 N ATOM 1475 CA ASN A 91 108.876 -19.594 -5.551 1.00 0.00 C ATOM 1476 C ASN A 91 110.042 -20.497 -5.198 1.00 0.00 C ATOM 1477 O ASN A 91 109.898 -21.708 -5.124 1.00 0.00 O ATOM 1478 CB ASN A 91 108.626 -19.675 -7.069 1.00 0.00 C ATOM 1479 CG ASN A 91 107.376 -18.956 -7.511 1.00 0.00 C ATOM 1480 OD1 ASN A 91 106.274 -19.514 -7.486 1.00 0.00 O ATOM 1481 ND2 ASN A 91 107.536 -17.750 -7.970 1.00 0.00 N ATOM 0 H ASN A 91 109.664 -17.632 -5.675 1.00 0.00 H new ATOM 0 HA ASN A 91 107.978 -19.939 -5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 91 109.483 -19.253 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 91 108.556 -20.722 -7.363 1.00 0.00 H new ATOM 0 HD21 ASN A 91 106.735 -17.230 -8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 91 108.463 -17.324 -7.973 1.00 0.00 H new ATOM 1488 N SER A 92 111.184 -19.921 -4.950 1.00 0.00 N ATOM 1489 CA SER A 92 112.375 -20.711 -4.704 1.00 0.00 C ATOM 1490 C SER A 92 112.779 -20.678 -3.224 1.00 0.00 C ATOM 1491 O SER A 92 113.833 -21.185 -2.840 1.00 0.00 O ATOM 1492 CB SER A 92 113.497 -20.188 -5.593 1.00 0.00 C ATOM 1493 OG SER A 92 113.040 -20.087 -6.942 1.00 0.00 O ATOM 0 H SER A 92 111.324 -18.911 -4.911 1.00 0.00 H new ATOM 0 HA SER A 92 112.171 -21.754 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 92 113.829 -19.212 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 92 114.357 -20.856 -5.540 1.00 0.00 H new ATOM 0 HG SER A 92 112.653 -19.199 -7.091 1.00 0.00 H new ATOM 1499 N ILE A 93 111.919 -20.109 -2.399 1.00 0.00 N ATOM 1500 CA ILE A 93 112.193 -19.977 -0.974 1.00 0.00 C ATOM 1501 C ILE A 93 111.742 -21.250 -0.229 1.00 0.00 C ATOM 1502 O ILE A 93 112.187 -21.530 0.874 1.00 0.00 O ATOM 1503 CB ILE A 93 111.490 -18.714 -0.381 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.098 -18.334 0.966 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.984 -18.918 -0.256 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.525 -17.833 0.856 1.00 0.00 C ATOM 0 H ILE A 93 111.019 -19.728 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 93 113.268 -19.853 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 93 111.655 -17.891 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.484 -17.563 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.074 -19.201 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.528 -18.019 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.561 -19.117 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.785 -19.764 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.899 -17.580 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.151 -18.611 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.552 -16.947 0.221 1.00 0.00 H new ATOM 1518 N THR A 94 110.832 -21.990 -0.859 1.00 0.00 N ATOM 1519 CA THR A 94 110.346 -23.277 -0.350 1.00 0.00 C ATOM 1520 C THR A 94 111.515 -24.286 -0.174 1.00 0.00 C ATOM 1521 O THR A 94 111.508 -25.124 0.733 1.00 0.00 O ATOM 1522 CB THR A 94 109.229 -23.858 -1.295 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.765 -25.139 -0.850 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.716 -23.967 -2.735 1.00 0.00 C ATOM 0 H THR A 94 110.406 -21.714 -1.744 1.00 0.00 H new ATOM 0 HA THR A 94 109.905 -23.111 0.633 1.00 0.00 H new ATOM 0 HB THR A 94 108.397 -23.155 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.072 -25.466 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.919 -24.372 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.996 -22.979 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.581 -24.628 -2.777 1.00 0.00 H new ATOM 1532 N GLN A 95 112.526 -24.145 -1.009 1.00 0.00 N ATOM 1533 CA GLN A 95 113.709 -24.967 -0.984 1.00 0.00 C ATOM 1534 C GLN A 95 114.912 -24.084 -1.333 1.00 0.00 C ATOM 1535 O GLN A 95 115.420 -24.092 -2.447 1.00 0.00 O ATOM 1536 CB GLN A 95 113.570 -26.173 -1.935 1.00 0.00 C ATOM 1537 CG GLN A 95 113.170 -25.807 -3.364 1.00 0.00 C ATOM 1538 CD GLN A 95 113.093 -27.002 -4.276 1.00 0.00 C ATOM 1539 OE1 GLN A 95 113.810 -27.990 -4.097 1.00 0.00 O ATOM 1540 NE2 GLN A 95 112.239 -26.928 -5.257 1.00 0.00 N ATOM 0 H GLN A 95 112.543 -23.435 -1.741 1.00 0.00 H new ATOM 0 HA GLN A 95 113.855 -25.388 0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 95 114.518 -26.710 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 95 112.827 -26.858 -1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 95 112.202 -25.306 -3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 95 113.891 -25.095 -3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 95 111.664 -26.093 -5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 95 112.145 -27.705 -5.911 1.00 0.00 H new ATOM 1549 N PRO A 96 115.324 -23.246 -0.399 1.00 0.00 N ATOM 1550 CA PRO A 96 116.343 -22.256 -0.648 1.00 0.00 C ATOM 1551 C PRO A 96 117.739 -22.791 -0.716 1.00 0.00 C ATOM 1552 O PRO A 96 118.113 -23.765 -0.039 1.00 0.00 O ATOM 1553 CB PRO A 96 116.187 -21.286 0.501 1.00 0.00 C ATOM 1554 CG PRO A 96 115.677 -22.124 1.619 1.00 0.00 C ATOM 1555 CD PRO A 96 114.831 -23.187 0.987 1.00 0.00 C ATOM 0 HA PRO A 96 116.206 -21.809 -1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.136 -20.816 0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.491 -20.485 0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.499 -22.564 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.094 -21.527 2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 96 114.946 -24.145 1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.772 -22.931 1.025 1.00 0.00 H new ATOM 1563 N THR A 97 118.490 -22.160 -1.547 1.00 0.00 N ATOM 1564 CA THR A 97 119.859 -22.444 -1.712 1.00 0.00 C ATOM 1565 C THR A 97 120.627 -21.158 -1.324 1.00 0.00 C ATOM 1566 O THR A 97 119.999 -20.201 -0.849 1.00 0.00 O ATOM 1567 CB THR A 97 120.122 -22.830 -3.175 1.00 0.00 C ATOM 1568 OG1 THR A 97 118.975 -23.551 -3.679 1.00 0.00 O ATOM 1569 CG2 THR A 97 121.299 -23.763 -3.244 1.00 0.00 C ATOM 0 H THR A 97 118.151 -21.408 -2.147 1.00 0.00 H new ATOM 0 HA THR A 97 120.184 -23.277 -1.089 1.00 0.00 H new ATOM 0 HB THR A 97 120.311 -21.927 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.131 -23.801 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.486 -24.037 -4.282 1.00 0.00 H new ATOM 0 HG22 THR A 97 122.180 -23.268 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 97 121.086 -24.661 -2.664 1.00 0.00 H new ATOM 1577 N LEU A 98 121.934 -21.118 -1.537 1.00 0.00 N ATOM 1578 CA LEU A 98 122.759 -19.980 -1.125 1.00 0.00 C ATOM 1579 C LEU A 98 122.380 -18.704 -1.879 1.00 0.00 C ATOM 1580 O LEU A 98 122.220 -17.654 -1.297 1.00 0.00 O ATOM 1581 CB LEU A 98 124.274 -20.260 -1.321 1.00 0.00 C ATOM 1582 CG LEU A 98 124.923 -21.420 -0.524 1.00 0.00 C ATOM 1583 CD1 LEU A 98 124.671 -21.290 0.963 1.00 0.00 C ATOM 1584 CD2 LEU A 98 124.502 -22.792 -1.043 1.00 0.00 C ATOM 0 H LEU A 98 122.454 -21.865 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 98 122.565 -19.835 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.441 -20.453 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.814 -19.346 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 98 125.998 -21.339 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.142 -22.122 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 98 125.091 -20.351 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 98 123.598 -21.303 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 98 124.985 -23.569 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 98 123.420 -22.895 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 98 124.801 -22.894 -2.086 1.00 0.00 H new ATOM 1596 N HIS A 99 122.209 -18.809 -3.169 1.00 0.00 N ATOM 1597 CA HIS A 99 121.917 -17.637 -4.001 1.00 0.00 C ATOM 1598 C HIS A 99 120.418 -17.334 -4.115 1.00 0.00 C ATOM 1599 O HIS A 99 119.962 -16.782 -5.115 1.00 0.00 O ATOM 1600 CB HIS A 99 122.590 -17.758 -5.383 1.00 0.00 C ATOM 1601 CG HIS A 99 124.085 -17.628 -5.315 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.748 -16.437 -5.505 1.00 0.00 N ATOM 1603 CD2 HIS A 99 125.038 -18.524 -4.987 1.00 0.00 C ATOM 1604 CE1 HIS A 99 126.026 -16.600 -5.276 1.00 0.00 C ATOM 1605 NE2 HIS A 99 126.230 -17.853 -4.968 1.00 0.00 N ATOM 0 H HIS A 99 122.264 -19.689 -3.682 1.00 0.00 H new ATOM 0 HA HIS A 99 122.350 -16.777 -3.491 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.333 -18.721 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.192 -16.988 -6.044 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.309 -15.559 -5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.888 -19.573 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.782 -15.831 -5.332 1.00 0.00 H new ATOM 1614 N SER A 100 119.687 -17.605 -3.048 1.00 0.00 N ATOM 1615 CA SER A 100 118.251 -17.349 -2.969 1.00 0.00 C ATOM 1616 C SER A 100 117.931 -15.837 -3.055 1.00 0.00 C ATOM 1617 O SER A 100 116.907 -15.435 -3.614 1.00 0.00 O ATOM 1618 CB SER A 100 117.728 -17.963 -1.656 1.00 0.00 C ATOM 1619 OG SER A 100 118.674 -17.756 -0.631 1.00 0.00 O ATOM 0 H SER A 100 120.075 -18.015 -2.198 1.00 0.00 H new ATOM 0 HA SER A 100 117.750 -17.811 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 100 116.775 -17.509 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 100 117.546 -19.030 -1.788 1.00 0.00 H new ATOM 0 HG SER A 100 119.232 -18.556 -0.534 1.00 0.00 H new ATOM 1625 N PHE A 101 118.832 -15.012 -2.535 1.00 0.00 N ATOM 1626 CA PHE A 101 118.641 -13.558 -2.523 1.00 0.00 C ATOM 1627 C PHE A 101 119.671 -12.884 -3.429 1.00 0.00 C ATOM 1628 O PHE A 101 119.929 -11.686 -3.307 1.00 0.00 O ATOM 1629 CB PHE A 101 118.814 -13.009 -1.098 1.00 0.00 C ATOM 1630 CG PHE A 101 118.037 -13.727 -0.031 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.671 -13.556 0.102 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.690 -14.576 0.849 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.975 -14.219 1.091 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.995 -15.236 1.836 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.638 -15.056 1.955 1.00 0.00 C ATOM 0 H PHE A 101 119.707 -15.322 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 101 117.634 -13.346 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.872 -13.045 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.520 -11.959 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.145 -12.898 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.756 -14.721 0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.908 -14.080 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.515 -15.894 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 101 116.092 -15.574 2.729 1.00 0.00 H new ATOM 1645 N ASP A 102 120.208 -13.646 -4.368 1.00 0.00 N ATOM 1646 CA ASP A 102 121.295 -13.176 -5.253 1.00 0.00 C ATOM 1647 C ASP A 102 120.895 -11.950 -6.062 1.00 0.00 C ATOM 1648 O ASP A 102 121.607 -10.930 -6.082 1.00 0.00 O ATOM 1649 CB ASP A 102 121.716 -14.276 -6.212 1.00 0.00 C ATOM 1650 CG ASP A 102 122.909 -13.888 -7.040 1.00 0.00 C ATOM 1651 OD1 ASP A 102 122.756 -13.288 -8.116 1.00 0.00 O ATOM 1652 OD2 ASP A 102 124.030 -14.194 -6.627 1.00 0.00 O ATOM 0 H ASP A 102 119.914 -14.606 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 102 122.126 -12.903 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.948 -15.179 -5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.883 -14.518 -6.871 1.00 0.00 H new ATOM 1657 N ALA A 103 119.750 -12.039 -6.695 1.00 0.00 N ATOM 1658 CA ALA A 103 119.258 -10.971 -7.542 1.00 0.00 C ATOM 1659 C ALA A 103 118.775 -9.812 -6.693 1.00 0.00 C ATOM 1660 O ALA A 103 118.932 -8.648 -7.052 1.00 0.00 O ATOM 1661 CB ALA A 103 118.142 -11.472 -8.443 1.00 0.00 C ATOM 0 H ALA A 103 119.133 -12.849 -6.640 1.00 0.00 H new ATOM 0 HA ALA A 103 120.076 -10.625 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.787 -10.655 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.518 -12.277 -9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 103 117.320 -11.844 -7.831 1.00 0.00 H new ATOM 1667 N ALA A 104 118.222 -10.137 -5.550 1.00 0.00 N ATOM 1668 CA ALA A 104 117.708 -9.145 -4.638 1.00 0.00 C ATOM 1669 C ALA A 104 118.832 -8.325 -4.010 1.00 0.00 C ATOM 1670 O ALA A 104 118.657 -7.136 -3.725 1.00 0.00 O ATOM 1671 CB ALA A 104 116.811 -9.798 -3.618 1.00 0.00 C ATOM 0 H ALA A 104 118.116 -11.098 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 104 117.100 -8.432 -5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.427 -9.041 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.978 -10.285 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.378 -10.541 -3.057 1.00 0.00 H new ATOM 1677 N GLN A 105 119.989 -8.954 -3.842 1.00 0.00 N ATOM 1678 CA GLN A 105 121.206 -8.281 -3.397 1.00 0.00 C ATOM 1679 C GLN A 105 121.538 -7.183 -4.395 1.00 0.00 C ATOM 1680 O GLN A 105 121.841 -6.043 -4.019 1.00 0.00 O ATOM 1681 CB GLN A 105 122.349 -9.332 -3.286 1.00 0.00 C ATOM 1682 CG GLN A 105 123.754 -8.846 -2.858 1.00 0.00 C ATOM 1683 CD GLN A 105 124.630 -8.297 -3.985 1.00 0.00 C ATOM 1684 OE1 GLN A 105 125.351 -9.053 -4.637 1.00 0.00 O ATOM 1685 NE2 GLN A 105 124.619 -7.004 -4.192 1.00 0.00 N ATOM 0 H GLN A 105 120.111 -9.952 -4.012 1.00 0.00 H new ATOM 0 HA GLN A 105 121.075 -7.825 -2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.031 -10.095 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.447 -9.820 -4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.637 -8.070 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 105 124.278 -9.676 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 105 124.011 -6.404 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.219 -6.597 -4.910 1.00 0.00 H new ATOM 1694 N SER A 106 121.413 -7.524 -5.658 1.00 0.00 N ATOM 1695 CA SER A 106 121.685 -6.619 -6.735 1.00 0.00 C ATOM 1696 C SER A 106 120.607 -5.514 -6.785 1.00 0.00 C ATOM 1697 O SER A 106 120.904 -4.355 -7.082 1.00 0.00 O ATOM 1698 CB SER A 106 121.741 -7.409 -8.058 1.00 0.00 C ATOM 1699 OG SER A 106 122.207 -6.607 -9.129 1.00 0.00 O ATOM 0 H SER A 106 121.115 -8.451 -5.962 1.00 0.00 H new ATOM 0 HA SER A 106 122.648 -6.134 -6.578 1.00 0.00 H new ATOM 0 HB2 SER A 106 122.395 -8.272 -7.939 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.748 -7.792 -8.295 1.00 0.00 H new ATOM 0 HG SER A 106 122.231 -7.140 -9.951 1.00 0.00 H new ATOM 1705 N ARG A 107 119.371 -5.878 -6.456 1.00 0.00 N ATOM 1706 CA ARG A 107 118.250 -4.940 -6.456 1.00 0.00 C ATOM 1707 C ARG A 107 118.399 -3.851 -5.430 1.00 0.00 C ATOM 1708 O ARG A 107 118.234 -2.688 -5.739 1.00 0.00 O ATOM 1709 CB ARG A 107 116.923 -5.646 -6.279 1.00 0.00 C ATOM 1710 CG ARG A 107 116.513 -6.480 -7.466 1.00 0.00 C ATOM 1711 CD ARG A 107 116.461 -5.632 -8.723 1.00 0.00 C ATOM 1712 NE ARG A 107 116.048 -6.403 -9.890 1.00 0.00 N ATOM 1713 CZ ARG A 107 116.210 -6.009 -11.162 1.00 0.00 C ATOM 1714 NH1 ARG A 107 116.791 -4.839 -11.442 1.00 0.00 N ATOM 1715 NH2 ARG A 107 115.766 -6.772 -12.146 1.00 0.00 N ATOM 0 H ARG A 107 119.118 -6.827 -6.183 1.00 0.00 H new ATOM 0 HA ARG A 107 118.263 -4.468 -7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.978 -6.286 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.150 -4.903 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.219 -7.299 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.536 -6.928 -7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 107 115.768 -4.804 -8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.443 -5.196 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 107 115.604 -7.307 -9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 107 117.116 -4.237 -10.685 1.00 0.00 H new ATOM 0 HH12 ARG A 107 116.910 -4.548 -12.412 1.00 0.00 H new ATOM 0 HH21 ARG A 107 115.303 -7.656 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 107 115.887 -6.477 -13.115 1.00 0.00 H new ATOM 1729 N VAL A 108 118.732 -4.211 -4.229 1.00 0.00 N ATOM 1730 CA VAL A 108 118.891 -3.212 -3.199 1.00 0.00 C ATOM 1731 C VAL A 108 120.107 -2.351 -3.451 1.00 0.00 C ATOM 1732 O VAL A 108 120.056 -1.142 -3.292 1.00 0.00 O ATOM 1733 CB VAL A 108 118.859 -3.822 -1.798 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.226 -2.810 -0.741 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.462 -4.296 -1.554 1.00 0.00 C ATOM 0 H VAL A 108 118.899 -5.173 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 108 118.030 -2.545 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 108 119.583 -4.635 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.192 -3.281 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.232 -2.436 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.519 -1.981 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.397 -4.740 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 108 116.775 -3.453 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.195 -5.042 -2.303 1.00 0.00 H new ATOM 1745 N TYR A 109 121.161 -2.971 -3.929 1.00 0.00 N ATOM 1746 CA TYR A 109 122.370 -2.268 -4.324 1.00 0.00 C ATOM 1747 C TYR A 109 122.048 -1.123 -5.312 1.00 0.00 C ATOM 1748 O TYR A 109 122.465 0.010 -5.115 1.00 0.00 O ATOM 1749 CB TYR A 109 123.371 -3.301 -4.889 1.00 0.00 C ATOM 1750 CG TYR A 109 124.314 -2.827 -5.976 1.00 0.00 C ATOM 1751 CD1 TYR A 109 123.937 -2.896 -7.308 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.572 -2.343 -5.681 1.00 0.00 C ATOM 1753 CE1 TYR A 109 124.775 -2.499 -8.309 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.427 -1.934 -6.684 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.015 -2.018 -8.006 1.00 0.00 C ATOM 1756 OH TYR A 109 126.849 -1.621 -9.040 1.00 0.00 O ATOM 0 H TYR A 109 121.209 -3.982 -4.057 1.00 0.00 H new ATOM 0 HA TYR A 109 122.831 -1.784 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.972 -3.678 -4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.802 -4.145 -5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 109 122.957 -3.273 -7.560 1.00 0.00 H new ATOM 0 HD2 TYR A 109 125.892 -2.283 -4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.457 -2.565 -9.339 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.408 -1.552 -6.442 1.00 0.00 H new ATOM 0 HH TYR A 109 127.201 -0.726 -8.851 1.00 0.00 H new ATOM 1766 N GLN A 110 121.237 -1.410 -6.311 1.00 0.00 N ATOM 1767 CA GLN A 110 120.875 -0.406 -7.300 1.00 0.00 C ATOM 1768 C GLN A 110 119.849 0.605 -6.758 1.00 0.00 C ATOM 1769 O GLN A 110 119.712 1.718 -7.301 1.00 0.00 O ATOM 1770 CB GLN A 110 120.415 -1.057 -8.606 1.00 0.00 C ATOM 1771 CG GLN A 110 119.321 -2.088 -8.437 1.00 0.00 C ATOM 1772 CD GLN A 110 118.936 -2.758 -9.721 1.00 0.00 C ATOM 1773 OE1 GLN A 110 118.035 -2.322 -10.431 1.00 0.00 O ATOM 1774 NE2 GLN A 110 119.603 -3.831 -10.027 1.00 0.00 N ATOM 0 H GLN A 110 120.816 -2.327 -6.462 1.00 0.00 H new ATOM 0 HA GLN A 110 121.774 0.168 -7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.062 -0.278 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.273 -1.530 -9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.651 -2.844 -7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.442 -1.608 -8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 110 120.346 -4.163 -9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 110 119.384 -4.341 -10.883 1.00 0.00 H new ATOM 1783 N LEU A 111 119.144 0.230 -5.688 1.00 0.00 N ATOM 1784 CA LEU A 111 118.191 1.123 -5.029 1.00 0.00 C ATOM 1785 C LEU A 111 118.917 2.298 -4.427 1.00 0.00 C ATOM 1786 O LEU A 111 118.675 3.445 -4.813 1.00 0.00 O ATOM 1787 CB LEU A 111 117.389 0.407 -3.938 1.00 0.00 C ATOM 1788 CG LEU A 111 116.412 -0.666 -4.396 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.847 -1.390 -3.195 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.287 -0.048 -5.217 1.00 0.00 C ATOM 0 H LEU A 111 119.217 -0.692 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 111 117.490 1.466 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.094 -0.050 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 111 116.831 1.158 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 111 116.943 -1.380 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.148 -2.157 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.658 -1.856 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.327 -0.679 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.598 -0.830 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 111 114.752 0.682 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.706 0.447 -6.093 1.00 0.00 H new ATOM 1802 N MET A 112 119.856 2.034 -3.509 1.00 0.00 N ATOM 1803 CA MET A 112 120.586 3.143 -2.926 1.00 0.00 C ATOM 1804 C MET A 112 121.665 3.671 -3.842 1.00 0.00 C ATOM 1805 O MET A 112 122.264 4.684 -3.548 1.00 0.00 O ATOM 1806 CB MET A 112 121.110 2.953 -1.475 1.00 0.00 C ATOM 1807 CG MET A 112 122.041 1.790 -1.212 1.00 0.00 C ATOM 1808 SD MET A 112 121.170 0.257 -0.976 1.00 0.00 S ATOM 1809 CE MET A 112 122.517 -0.843 -0.600 1.00 0.00 C ATOM 0 H MET A 112 120.113 1.106 -3.173 1.00 0.00 H new ATOM 0 HA MET A 112 119.812 3.903 -2.820 1.00 0.00 H new ATOM 0 HB2 MET A 112 121.625 3.868 -1.181 1.00 0.00 H new ATOM 0 HB3 MET A 112 120.247 2.848 -0.818 1.00 0.00 H new ATOM 0 HG2 MET A 112 122.732 1.686 -2.049 1.00 0.00 H new ATOM 0 HG3 MET A 112 122.641 2.003 -0.327 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.134 -1.727 -0.090 1.00 0.00 H new ATOM 0 HE2 MET A 112 123.011 -1.143 -1.524 1.00 0.00 H new ATOM 0 HE3 MET A 112 123.233 -0.334 0.045 1.00 0.00 H new ATOM 1819 N GLU A 113 121.914 2.995 -4.954 1.00 0.00 N ATOM 1820 CA GLU A 113 122.822 3.529 -5.957 1.00 0.00 C ATOM 1821 C GLU A 113 122.241 4.831 -6.514 1.00 0.00 C ATOM 1822 O GLU A 113 122.731 5.919 -6.231 1.00 0.00 O ATOM 1823 CB GLU A 113 123.043 2.539 -7.110 1.00 0.00 C ATOM 1824 CG GLU A 113 123.980 3.066 -8.189 1.00 0.00 C ATOM 1825 CD GLU A 113 124.119 2.142 -9.366 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.300 2.234 -10.314 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.069 1.343 -9.396 1.00 0.00 O ATOM 0 H GLU A 113 121.506 2.088 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 113 123.786 3.710 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.449 1.610 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.081 2.298 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 113 123.614 4.032 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 113 124.964 3.236 -7.753 1.00 0.00 H new ATOM 1834 N GLN A 114 121.131 4.714 -7.206 1.00 0.00 N ATOM 1835 CA GLN A 114 120.519 5.861 -7.882 1.00 0.00 C ATOM 1836 C GLN A 114 119.953 6.887 -6.886 1.00 0.00 C ATOM 1837 O GLN A 114 119.714 8.052 -7.231 1.00 0.00 O ATOM 1838 CB GLN A 114 119.440 5.367 -8.844 1.00 0.00 C ATOM 1839 CG GLN A 114 118.294 4.626 -8.167 1.00 0.00 C ATOM 1840 CD GLN A 114 117.358 3.950 -9.148 1.00 0.00 C ATOM 1841 OE1 GLN A 114 116.159 3.838 -8.896 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.894 3.434 -10.231 1.00 0.00 N ATOM 0 H GLN A 114 120.623 3.837 -7.322 1.00 0.00 H new ATOM 0 HA GLN A 114 121.294 6.379 -8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.035 6.220 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 114 119.899 4.708 -9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 114 118.704 3.876 -7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 114 117.726 5.328 -7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 114 118.892 3.546 -10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 114 117.312 2.922 -10.894 1.00 0.00 H new ATOM 1851 N ASP A 115 119.764 6.459 -5.667 1.00 0.00 N ATOM 1852 CA ASP A 115 119.204 7.314 -4.647 1.00 0.00 C ATOM 1853 C ASP A 115 120.268 7.929 -3.735 1.00 0.00 C ATOM 1854 O ASP A 115 120.445 9.139 -3.697 1.00 0.00 O ATOM 1855 CB ASP A 115 118.192 6.541 -3.804 1.00 0.00 C ATOM 1856 CG ASP A 115 117.627 7.366 -2.675 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.607 8.061 -2.882 1.00 0.00 O ATOM 1858 OD2 ASP A 115 118.182 7.335 -1.559 1.00 0.00 O ATOM 0 H ASP A 115 119.991 5.516 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 115 118.709 8.134 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.377 6.200 -4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.670 5.651 -3.395 1.00 0.00 H new ATOM 1863 N SER A 116 120.980 7.097 -3.028 1.00 0.00 N ATOM 1864 CA SER A 116 121.857 7.560 -1.988 1.00 0.00 C ATOM 1865 C SER A 116 123.312 7.750 -2.458 1.00 0.00 C ATOM 1866 O SER A 116 124.012 8.571 -1.916 1.00 0.00 O ATOM 1867 CB SER A 116 121.798 6.572 -0.836 1.00 0.00 C ATOM 1868 OG SER A 116 120.446 6.223 -0.534 1.00 0.00 O ATOM 0 H SER A 116 120.970 6.085 -3.154 1.00 0.00 H new ATOM 0 HA SER A 116 121.514 8.546 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.361 5.675 -1.092 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.272 7.005 0.045 1.00 0.00 H new ATOM 0 HG SER A 116 119.839 6.853 -0.976 1.00 0.00 H new ATOM 1874 N TYR A 117 123.744 7.010 -3.475 1.00 0.00 N ATOM 1875 CA TYR A 117 125.135 7.059 -3.952 1.00 0.00 C ATOM 1876 C TYR A 117 125.514 8.432 -4.483 1.00 0.00 C ATOM 1877 O TYR A 117 126.584 8.945 -4.178 1.00 0.00 O ATOM 1878 CB TYR A 117 125.353 5.949 -4.975 1.00 0.00 C ATOM 1879 CG TYR A 117 126.551 6.054 -5.889 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.854 5.976 -5.416 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.356 6.180 -7.257 1.00 0.00 C ATOM 1882 CE1 TYR A 117 128.922 6.024 -6.290 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.410 6.235 -8.125 1.00 0.00 C ATOM 1884 CZ TYR A 117 128.687 6.156 -7.646 1.00 0.00 C ATOM 1885 OH TYR A 117 129.731 6.197 -8.524 1.00 0.00 O ATOM 0 H TYR A 117 123.150 6.362 -3.993 1.00 0.00 H new ATOM 0 HA TYR A 117 125.805 6.887 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.427 5.006 -4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.461 5.889 -5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.034 5.877 -4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.349 6.236 -7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 117 129.933 5.959 -5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.234 6.340 -9.185 1.00 0.00 H new ATOM 0 HH TYR A 117 129.387 6.292 -9.437 1.00 0.00 H new ATOM 1895 N THR A 118 124.626 9.028 -5.218 1.00 0.00 N ATOM 1896 CA THR A 118 124.841 10.355 -5.752 1.00 0.00 C ATOM 1897 C THR A 118 124.917 11.384 -4.604 1.00 0.00 C ATOM 1898 O THR A 118 125.830 12.229 -4.548 1.00 0.00 O ATOM 1899 CB THR A 118 123.706 10.689 -6.718 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.461 10.348 -6.086 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.851 9.884 -8.001 1.00 0.00 C ATOM 0 H THR A 118 123.728 8.615 -5.470 1.00 0.00 H new ATOM 0 HA THR A 118 125.787 10.391 -6.292 1.00 0.00 H new ATOM 0 HB THR A 118 123.736 11.750 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.719 10.557 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 118 123.035 10.132 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.803 10.123 -8.475 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.818 8.820 -7.768 1.00 0.00 H new ATOM 1909 N ARG A 119 123.993 11.251 -3.660 1.00 0.00 N ATOM 1910 CA ARG A 119 123.967 12.096 -2.482 1.00 0.00 C ATOM 1911 C ARG A 119 125.226 11.862 -1.631 1.00 0.00 C ATOM 1912 O ARG A 119 125.785 12.793 -1.048 1.00 0.00 O ATOM 1913 CB ARG A 119 122.686 11.872 -1.664 1.00 0.00 C ATOM 1914 CG ARG A 119 121.407 12.307 -2.374 1.00 0.00 C ATOM 1915 CD ARG A 119 120.181 12.192 -1.469 1.00 0.00 C ATOM 1916 NE ARG A 119 119.797 10.802 -1.183 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.781 10.241 0.048 1.00 0.00 C ATOM 1918 NH1 ARG A 119 120.282 10.893 1.088 1.00 0.00 N ATOM 1919 NH2 ARG A 119 119.262 9.026 0.232 1.00 0.00 N ATOM 0 H ARG A 119 123.246 10.557 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 119 123.964 13.137 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.608 10.814 -1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.769 12.416 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.513 13.338 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.260 11.694 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.382 12.707 -0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 119 119.342 12.704 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 119 119.522 10.217 -1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 119 120.682 11.823 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 119 120.267 10.465 2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 119 118.873 8.512 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 119 119.254 8.611 1.164 1.00 0.00 H new ATOM 1933 N PHE A 120 125.669 10.625 -1.583 1.00 0.00 N ATOM 1934 CA PHE A 120 126.897 10.257 -0.915 1.00 0.00 C ATOM 1935 C PHE A 120 128.066 10.979 -1.545 1.00 0.00 C ATOM 1936 O PHE A 120 128.860 11.573 -0.843 1.00 0.00 O ATOM 1937 CB PHE A 120 127.112 8.729 -0.949 1.00 0.00 C ATOM 1938 CG PHE A 120 128.501 8.276 -0.561 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.894 8.198 0.766 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.415 7.926 -1.543 1.00 0.00 C ATOM 1941 CE1 PHE A 120 130.175 7.782 1.094 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.684 7.515 -1.215 1.00 0.00 C ATOM 1943 CZ PHE A 120 131.065 7.443 0.103 1.00 0.00 C ATOM 0 H PHE A 120 125.181 9.838 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 120 126.824 10.556 0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.392 8.260 -0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.895 8.368 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 120 128.198 8.463 1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.125 7.977 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.474 7.724 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.383 7.248 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 120 132.063 7.120 0.360 1.00 0.00 H new ATOM 1953 N LEU A 121 128.128 10.974 -2.867 1.00 0.00 N ATOM 1954 CA LEU A 121 129.218 11.621 -3.591 1.00 0.00 C ATOM 1955 C LEU A 121 129.294 13.115 -3.298 1.00 0.00 C ATOM 1956 O LEU A 121 130.364 13.707 -3.332 1.00 0.00 O ATOM 1957 CB LEU A 121 129.122 11.371 -5.099 1.00 0.00 C ATOM 1958 CG LEU A 121 129.209 9.907 -5.543 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.174 9.803 -7.056 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.458 9.245 -4.983 1.00 0.00 C ATOM 0 H LEU A 121 127.434 10.527 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 121 130.141 11.167 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.178 11.783 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.920 11.927 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 121 128.342 9.379 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.237 8.755 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.243 10.229 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.017 10.350 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.498 8.206 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.342 9.773 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.431 9.280 -3.894 1.00 0.00 H new ATOM 1972 N LYS A 122 128.170 13.716 -3.004 1.00 0.00 N ATOM 1973 CA LYS A 122 128.161 15.116 -2.667 1.00 0.00 C ATOM 1974 C LYS A 122 127.912 15.396 -1.194 1.00 0.00 C ATOM 1975 O LYS A 122 127.677 16.546 -0.809 1.00 0.00 O ATOM 1976 CB LYS A 122 127.239 15.905 -3.583 1.00 0.00 C ATOM 1977 CG LYS A 122 127.835 16.081 -4.965 1.00 0.00 C ATOM 1978 CD LYS A 122 129.108 16.920 -4.890 1.00 0.00 C ATOM 1979 CE LYS A 122 129.841 16.945 -6.212 1.00 0.00 C ATOM 1980 NZ LYS A 122 130.966 17.904 -6.207 1.00 0.00 N ATOM 0 H LYS A 122 127.256 13.263 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 122 129.176 15.473 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.280 15.392 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 122 127.042 16.883 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 122 128.059 15.106 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 122 127.111 16.564 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.856 17.938 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 122 129.764 16.518 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 122 130.217 15.947 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 122 129.144 17.209 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 131.440 17.888 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 130.605 18.861 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 131.645 17.638 -5.466 1.00 0.00 H new ATOM 1994 N SER A 123 127.977 14.379 -0.360 1.00 0.00 N ATOM 1995 CA SER A 123 127.881 14.602 1.053 1.00 0.00 C ATOM 1996 C SER A 123 129.238 15.092 1.541 1.00 0.00 C ATOM 1997 O SER A 123 130.267 14.850 0.872 1.00 0.00 O ATOM 1998 CB SER A 123 127.506 13.303 1.779 1.00 0.00 C ATOM 1999 OG SER A 123 128.525 12.313 1.626 1.00 0.00 O ATOM 0 H SER A 123 128.094 13.405 -0.639 1.00 0.00 H new ATOM 0 HA SER A 123 127.107 15.340 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.350 13.507 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.563 12.922 1.385 1.00 0.00 H new ATOM 0 HG SER A 123 128.459 11.911 0.735 1.00 0.00 H new ATOM 2005 N ASP A 124 129.271 15.736 2.701 1.00 0.00 N ATOM 2006 CA ASP A 124 130.537 16.195 3.280 1.00 0.00 C ATOM 2007 C ASP A 124 131.406 15.006 3.609 1.00 0.00 C ATOM 2008 O ASP A 124 132.614 15.125 3.712 1.00 0.00 O ATOM 2009 CB ASP A 124 130.337 17.071 4.529 1.00 0.00 C ATOM 2010 CG ASP A 124 129.774 18.440 4.225 1.00 0.00 C ATOM 2011 OD1 ASP A 124 130.552 19.355 3.892 1.00 0.00 O ATOM 2012 OD2 ASP A 124 128.551 18.638 4.324 1.00 0.00 O ATOM 0 H ASP A 124 128.445 15.953 3.259 1.00 0.00 H new ATOM 0 HA ASP A 124 131.028 16.820 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.668 16.557 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 124 131.294 17.186 5.039 1.00 0.00 H new ATOM 2017 N ILE A 125 130.754 13.858 3.745 1.00 0.00 N ATOM 2018 CA ILE A 125 131.377 12.566 3.959 1.00 0.00 C ATOM 2019 C ILE A 125 132.351 12.235 2.802 1.00 0.00 C ATOM 2020 O ILE A 125 133.577 12.124 3.009 1.00 0.00 O ATOM 2021 CB ILE A 125 130.278 11.430 4.092 1.00 0.00 C ATOM 2022 CG1 ILE A 125 129.591 11.394 5.472 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.770 10.059 3.684 1.00 0.00 C ATOM 2024 CD1 ILE A 125 128.686 12.564 5.764 1.00 0.00 C ATOM 0 H ILE A 125 129.736 13.804 3.707 1.00 0.00 H new ATOM 0 HA ILE A 125 131.943 12.611 4.889 1.00 0.00 H new ATOM 0 HB ILE A 125 129.514 11.715 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 125 129.008 10.476 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 125 130.360 11.348 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.965 9.334 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 125 131.089 10.082 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 125 131.612 9.772 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 125 128.250 12.448 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 125 129.263 13.488 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 125 127.890 12.603 5.020 1.00 0.00 H new ATOM 2036 N TYR A 126 131.820 12.117 1.587 1.00 0.00 N ATOM 2037 CA TYR A 126 132.655 11.760 0.449 1.00 0.00 C ATOM 2038 C TYR A 126 133.540 12.916 0.036 1.00 0.00 C ATOM 2039 O TYR A 126 134.679 12.713 -0.382 1.00 0.00 O ATOM 2040 CB TYR A 126 131.826 11.240 -0.726 1.00 0.00 C ATOM 2041 CG TYR A 126 132.643 10.788 -1.921 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.416 9.641 -1.860 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.651 11.518 -3.096 1.00 0.00 C ATOM 2044 CE1 TYR A 126 134.166 9.231 -2.935 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.400 11.119 -4.176 1.00 0.00 C ATOM 2046 CZ TYR A 126 134.152 9.976 -4.094 1.00 0.00 C ATOM 2047 OH TYR A 126 134.914 9.586 -5.167 1.00 0.00 O ATOM 0 H TYR A 126 130.834 12.261 1.370 1.00 0.00 H new ATOM 0 HA TYR A 126 133.303 10.943 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 126 131.216 10.405 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 126 131.141 12.025 -1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.429 9.058 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 126 132.058 12.418 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.762 8.332 -2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.396 11.703 -5.085 1.00 0.00 H new ATOM 0 HH TYR A 126 135.377 8.749 -4.953 1.00 0.00 H new ATOM 2057 N LEU A 127 133.050 14.129 0.208 1.00 0.00 N ATOM 2058 CA LEU A 127 133.835 15.308 -0.123 1.00 0.00 C ATOM 2059 C LEU A 127 135.023 15.462 0.842 1.00 0.00 C ATOM 2060 O LEU A 127 136.006 16.126 0.532 1.00 0.00 O ATOM 2061 CB LEU A 127 132.964 16.571 -0.161 1.00 0.00 C ATOM 2062 CG LEU A 127 131.821 16.573 -1.185 1.00 0.00 C ATOM 2063 CD1 LEU A 127 131.079 17.895 -1.158 1.00 0.00 C ATOM 2064 CD2 LEU A 127 132.331 16.267 -2.582 1.00 0.00 C ATOM 0 H LEU A 127 132.118 14.326 0.573 1.00 0.00 H new ATOM 0 HA LEU A 127 134.240 15.172 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.537 16.723 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.609 17.426 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 127 131.123 15.783 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 127 130.273 17.875 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 127 130.661 18.058 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.768 18.704 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.497 16.276 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.061 17.021 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.802 15.284 -2.590 1.00 0.00 H new ATOM 2076 N ASP A 128 134.923 14.813 1.995 1.00 0.00 N ATOM 2077 CA ASP A 128 136.013 14.765 2.976 1.00 0.00 C ATOM 2078 C ASP A 128 137.041 13.731 2.553 1.00 0.00 C ATOM 2079 O ASP A 128 138.242 13.916 2.742 1.00 0.00 O ATOM 2080 CB ASP A 128 135.470 14.439 4.373 1.00 0.00 C ATOM 2081 CG ASP A 128 136.534 14.318 5.437 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.992 15.360 5.963 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.900 13.183 5.789 1.00 0.00 O ATOM 0 H ASP A 128 134.087 14.304 2.281 1.00 0.00 H new ATOM 0 HA ASP A 128 136.490 15.744 3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.765 15.216 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.912 13.504 4.325 1.00 0.00 H new ATOM 2088 N LEU A 129 136.559 12.639 1.946 1.00 0.00 N ATOM 2089 CA LEU A 129 137.458 11.606 1.410 1.00 0.00 C ATOM 2090 C LEU A 129 138.210 12.203 0.226 1.00 0.00 C ATOM 2091 O LEU A 129 139.356 11.850 -0.051 1.00 0.00 O ATOM 2092 CB LEU A 129 136.677 10.359 0.945 1.00 0.00 C ATOM 2093 CG LEU A 129 135.639 9.799 1.931 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.776 8.765 1.254 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.316 9.181 3.140 1.00 0.00 C ATOM 0 H LEU A 129 135.566 12.448 1.814 1.00 0.00 H new ATOM 0 HA LEU A 129 138.145 11.291 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.167 10.603 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.395 9.570 0.719 1.00 0.00 H new ATOM 0 HG LEU A 129 135.015 10.628 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 129 134.046 8.378 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.256 9.221 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.401 7.948 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.559 8.792 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.966 8.367 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.910 9.939 3.651 1.00 0.00 H new ATOM 2107 N MET A 130 137.536 13.117 -0.467 1.00 0.00 N ATOM 2108 CA MET A 130 138.122 13.845 -1.575 1.00 0.00 C ATOM 2109 C MET A 130 139.144 14.836 -1.060 1.00 0.00 C ATOM 2110 O MET A 130 140.347 14.633 -1.229 1.00 0.00 O ATOM 2111 CB MET A 130 137.055 14.587 -2.409 1.00 0.00 C ATOM 2112 CG MET A 130 136.012 13.727 -3.142 1.00 0.00 C ATOM 2113 SD MET A 130 136.700 12.624 -4.410 1.00 0.00 S ATOM 2114 CE MET A 130 137.461 11.341 -3.408 1.00 0.00 C ATOM 0 H MET A 130 136.567 13.370 -0.271 1.00 0.00 H new ATOM 0 HA MET A 130 138.606 13.116 -2.225 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.524 15.270 -1.747 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.570 15.198 -3.150 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.475 13.126 -2.408 1.00 0.00 H new ATOM 0 HG3 MET A 130 135.281 14.386 -3.610 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.545 11.393 -3.512 1.00 0.00 H new ATOM 0 HE2 MET A 130 137.189 11.486 -2.363 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.111 10.364 -3.741 1.00 0.00 H new ATOM 2124 N GLU A 131 138.644 15.891 -0.406 1.00 0.00 N ATOM 2125 CA GLU A 131 139.452 16.974 0.161 1.00 0.00 C ATOM 2126 C GLU A 131 140.398 17.561 -0.923 1.00 0.00 C ATOM 2127 O GLU A 131 141.544 17.955 -0.656 1.00 0.00 O ATOM 2128 CB GLU A 131 140.222 16.469 1.405 1.00 0.00 C ATOM 2129 CG GLU A 131 140.834 17.573 2.262 1.00 0.00 C ATOM 2130 CD GLU A 131 139.797 18.522 2.816 1.00 0.00 C ATOM 2131 OE1 GLU A 131 139.317 19.392 2.084 1.00 0.00 O ATOM 2132 OE2 GLU A 131 139.454 18.430 4.013 1.00 0.00 O ATOM 0 H GLU A 131 137.643 16.017 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 131 138.800 17.782 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 131 139.543 15.881 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 131 141.016 15.798 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 131 141.387 17.123 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 131 141.553 18.135 1.665 1.00 0.00 H new ATOM 2139 N GLY A 132 139.884 17.658 -2.132 1.00 0.00 N ATOM 2140 CA GLY A 132 140.667 18.141 -3.239 1.00 0.00 C ATOM 2141 C GLY A 132 140.189 19.484 -3.739 1.00 0.00 C ATOM 2142 O GLY A 132 140.992 20.373 -4.002 1.00 0.00 O ATOM 0 H GLY A 132 138.924 17.407 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 132 141.711 18.220 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 132 140.626 17.417 -4.053 1.00 0.00 H new ATOM 2146 N ARG A 133 138.887 19.643 -3.850 1.00 0.00 N ATOM 2147 CA ARG A 133 138.306 20.875 -4.357 1.00 0.00 C ATOM 2148 C ARG A 133 136.932 21.150 -3.701 1.00 0.00 C ATOM 2149 O ARG A 133 135.902 20.593 -4.106 1.00 0.00 O ATOM 2150 CB ARG A 133 138.201 20.841 -5.906 1.00 0.00 C ATOM 2151 CG ARG A 133 137.412 19.656 -6.458 1.00 0.00 C ATOM 2152 CD ARG A 133 137.242 19.734 -7.956 1.00 0.00 C ATOM 2153 NE ARG A 133 136.333 18.688 -8.449 1.00 0.00 N ATOM 2154 CZ ARG A 133 135.812 18.635 -9.681 1.00 0.00 C ATOM 2155 NH1 ARG A 133 136.242 19.466 -10.627 1.00 0.00 N ATOM 2156 NH2 ARG A 133 134.893 17.711 -9.976 1.00 0.00 N ATOM 0 H ARG A 133 138.204 18.930 -3.595 1.00 0.00 H new ATOM 0 HA ARG A 133 138.968 21.699 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 133 137.733 21.764 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 133 139.207 20.820 -6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 133 137.923 18.729 -6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 133 136.431 19.622 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 133 136.852 20.715 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 133 138.213 19.631 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 133 136.079 17.943 -7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 133 136.971 20.147 -10.415 1.00 0.00 H new ATOM 0 HH12 ARG A 133 135.842 19.422 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 133 134.590 17.048 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 133 134.495 17.669 -10.914 1.00 0.00 H new ATOM 2170 N PRO A 134 136.895 21.954 -2.650 1.00 0.00 N ATOM 2171 CA PRO A 134 135.658 22.274 -1.967 1.00 0.00 C ATOM 2172 C PRO A 134 134.893 23.395 -2.672 1.00 0.00 C ATOM 2173 O PRO A 134 135.497 24.326 -3.236 1.00 0.00 O ATOM 2174 CB PRO A 134 136.124 22.725 -0.584 1.00 0.00 C ATOM 2175 CG PRO A 134 137.493 23.279 -0.794 1.00 0.00 C ATOM 2176 CD PRO A 134 138.059 22.614 -2.027 1.00 0.00 C ATOM 0 HA PRO A 134 134.969 21.430 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 134 135.454 23.478 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 134 136.140 21.891 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 134 137.455 24.361 -0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 134 138.124 23.084 0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 134 138.511 23.342 -2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 134 138.835 21.893 -1.770 1.00 0.00 H new TER 2184 PRO A 134