USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 955 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 39 CYS SG : rot 90:sc= -7.15! USER MOD Set 1.2: A 63 ASN : amide:sc= -5.15! C(o=-12!,f=-19!) USER MOD Set 2.1: A 20 TYR OH : rot 15:sc= -2.33! USER MOD Set 2.2: A 43 HIS : no HD1:sc= 0.503 K(o=-1.8,f=-11!) USER MOD Set 3.1: A 27 ASN : amide:sc= -10.5! C(o=-9.5!,f=-15!) USER MOD Set 3.2: A 31 SER OG : rot 82:sc= 0.956 USER MOD Set 4.1: A 22 HIS : no HE2:sc= -3.22! C(o=-4.9!,f=-14!) USER MOD Set 4.2: A 36 MET CE :methyl 161:sc= -0.649 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot -163:sc= -1.01 USER MOD Set 5.1: A 8 MET CE :methyl 170:sc= -0.0441 (180deg=-0.234) USER MOD Set 5.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.136 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.43! C(o=-3.4!,f=-7.4!) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 16 MET CE :methyl -160:sc= -0.0215 (180deg=-0.36) USER MOD Single : A 17 THR OG1 : rot 55:sc= -2.13! USER MOD Single : A 19 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 29 SER OG : rot -88:sc= 0.15 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 103:sc= 0.586 USER MOD Single : A 34 SER OG : rot -160:sc= -0.218 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 79:sc= -0.733 USER MOD Single : A 69 SER OG : rot -170:sc= -0.0557 USER MOD Single : A 70 THR OG1 : rot 93:sc= 1.08 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 8:sc= 0.784 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 86 MET CE :methyl -162:sc= -0.153 (180deg=-0.184) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= -0.0385 (180deg=-0.413) USER MOD Single : A 96 CYS SG : rot -57:sc= -2.29! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 92:sc= 0.812 USER MOD Single : A 100 TYR OH : rot 165:sc= -0.0207 USER MOD Single : A 102 GLN : amide:sc= -0.0307 K(o=-0.031,f=-2!) USER MOD Single : A 107 SER OG : rot -39:sc= 0.903 USER MOD Single : A 110 GLN : amide:sc= -0.936 X(o=-0.94,f=-0.71) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.215) USER MOD Single : A 116 THR OG1 : rot -13:sc= 0.623 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= -0.0661 (180deg=-0.447) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.147 19.863 11.877 1.00 0.00 N ATOM 2 CA GLY A 1 2.852 20.633 10.632 1.00 0.00 C ATOM 3 C GLY A 1 1.411 20.373 10.209 1.00 0.00 C ATOM 4 O GLY A 1 0.631 19.785 10.960 1.00 0.00 O ATOM 0 H1 GLY A 1 3.400 20.522 12.641 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.307 19.317 12.155 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.941 19.213 11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.006 21.698 10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.536 20.337 9.837 1.00 0.00 H new ATOM 10 N PRO A 2 1.050 20.784 9.021 1.00 0.00 N ATOM 11 CA PRO A 2 -0.322 20.575 8.498 1.00 0.00 C ATOM 12 C PRO A 2 -0.530 19.109 8.124 1.00 0.00 C ATOM 13 O PRO A 2 -1.238 18.371 8.810 1.00 0.00 O ATOM 14 CB PRO A 2 -0.410 21.485 7.247 1.00 0.00 C ATOM 15 CG PRO A 2 0.930 22.170 7.103 1.00 0.00 C ATOM 16 CD PRO A 2 1.910 21.485 8.064 1.00 0.00 C ATOM 0 HA PRO A 2 -1.090 20.818 9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.640 20.897 6.358 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.208 22.219 7.359 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.288 22.098 6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.844 23.231 7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.565 20.792 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.551 22.212 8.563 1.00 0.00 H new ATOM 24 N LEU A 3 0.104 18.708 7.029 1.00 0.00 N ATOM 25 CA LEU A 3 0.006 17.337 6.552 1.00 0.00 C ATOM 26 C LEU A 3 0.761 16.388 7.480 1.00 0.00 C ATOM 27 O LEU A 3 0.260 15.324 7.832 1.00 0.00 O ATOM 28 CB LEU A 3 0.577 17.262 5.133 1.00 0.00 C ATOM 29 CG LEU A 3 -0.317 18.079 4.180 1.00 0.00 C ATOM 30 CD1 LEU A 3 0.380 18.251 2.827 1.00 0.00 C ATOM 31 CD2 LEU A 3 -1.674 17.372 3.980 1.00 0.00 C ATOM 0 H LEU A 3 0.691 19.314 6.456 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.041 17.033 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.595 17.651 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.627 16.224 4.803 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.491 19.060 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.259 18.829 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.325 18.775 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.570 17.271 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.295 17.961 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.509 16.383 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.178 17.272 4.942 1.00 0.00 H new ATOM 43 N GLY A 4 1.971 16.784 7.868 1.00 0.00 N ATOM 44 CA GLY A 4 2.799 15.964 8.754 1.00 0.00 C ATOM 45 C GLY A 4 3.810 15.146 7.954 1.00 0.00 C ATOM 46 O GLY A 4 3.681 14.991 6.740 1.00 0.00 O ATOM 0 H GLY A 4 2.400 17.665 7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.323 16.604 9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.164 15.296 9.336 1.00 0.00 H new ATOM 50 N SER A 5 4.819 14.631 8.645 1.00 0.00 N ATOM 51 CA SER A 5 5.853 13.836 7.994 1.00 0.00 C ATOM 52 C SER A 5 5.224 12.797 7.074 1.00 0.00 C ATOM 53 O SER A 5 5.808 12.412 6.061 1.00 0.00 O ATOM 54 CB SER A 5 6.706 13.134 9.049 1.00 0.00 C ATOM 55 OG SER A 5 7.396 14.108 9.819 1.00 0.00 O ATOM 0 H SER A 5 4.944 14.748 9.651 1.00 0.00 H new ATOM 0 HA SER A 5 6.481 14.500 7.400 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.076 12.523 9.695 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.418 12.462 8.570 1.00 0.00 H new ATOM 0 HG SER A 5 7.943 13.661 10.498 1.00 0.00 H new ATOM 61 N LYS A 6 4.030 12.344 7.437 1.00 0.00 N ATOM 62 CA LYS A 6 3.321 11.348 6.646 1.00 0.00 C ATOM 63 C LYS A 6 2.961 11.907 5.273 1.00 0.00 C ATOM 64 O LYS A 6 2.401 11.207 4.433 1.00 0.00 O ATOM 65 CB LYS A 6 2.051 10.914 7.377 1.00 0.00 C ATOM 66 CG LYS A 6 2.436 10.149 8.647 1.00 0.00 C ATOM 67 CD LYS A 6 1.170 9.709 9.385 1.00 0.00 C ATOM 68 CE LYS A 6 1.549 8.924 10.643 1.00 0.00 C ATOM 69 NZ LYS A 6 0.309 8.479 11.342 1.00 0.00 N ATOM 0 H LYS A 6 3.533 12.651 8.274 1.00 0.00 H new ATOM 0 HA LYS A 6 3.974 10.486 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.448 11.786 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.442 10.284 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.040 9.279 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.045 10.781 9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.574 10.581 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.553 9.091 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.159 8.061 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.150 9.546 11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.565 7.945 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.256 9.310 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.248 7.871 10.708 1.00 0.00 H new ATOM 83 N ASN A 7 3.301 13.171 5.052 1.00 0.00 N ATOM 84 CA ASN A 7 3.025 13.811 3.772 1.00 0.00 C ATOM 85 C ASN A 7 3.853 13.162 2.671 1.00 0.00 C ATOM 86 O ASN A 7 3.382 12.983 1.550 1.00 0.00 O ATOM 87 CB ASN A 7 3.356 15.303 3.847 1.00 0.00 C ATOM 88 CG ASN A 7 4.858 15.497 4.019 1.00 0.00 C ATOM 89 OD1 ASN A 7 5.632 15.183 3.115 1.00 0.00 O ATOM 90 ND2 ASN A 7 5.318 16.000 5.132 1.00 0.00 N ATOM 0 H ASN A 7 3.764 13.769 5.736 1.00 0.00 H new ATOM 0 HA ASN A 7 1.966 13.689 3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.018 15.805 2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.824 15.760 4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.322 16.134 5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.674 16.259 5.879 1.00 0.00 H new ATOM 97 N MET A 8 5.092 12.819 3.005 1.00 0.00 N ATOM 98 CA MET A 8 5.992 12.196 2.043 1.00 0.00 C ATOM 99 C MET A 8 5.393 10.894 1.524 1.00 0.00 C ATOM 100 O MET A 8 5.352 10.655 0.318 1.00 0.00 O ATOM 101 CB MET A 8 7.334 11.905 2.726 1.00 0.00 C ATOM 102 CG MET A 8 8.389 11.501 1.692 1.00 0.00 C ATOM 103 SD MET A 8 8.098 9.802 1.142 1.00 0.00 S ATOM 104 CE MET A 8 8.923 9.949 -0.462 1.00 0.00 C ATOM 0 H MET A 8 5.495 12.961 3.931 1.00 0.00 H new ATOM 0 HA MET A 8 6.141 12.873 1.202 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.670 12.788 3.270 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.210 11.107 3.458 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.353 12.179 0.839 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.386 11.586 2.125 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.023 8.961 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.332 10.588 -1.118 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.912 10.387 -0.324 1.00 0.00 H new ATOM 114 N LEU A 9 4.923 10.061 2.443 1.00 0.00 N ATOM 115 CA LEU A 9 4.322 8.792 2.080 1.00 0.00 C ATOM 116 C LEU A 9 3.050 9.010 1.278 1.00 0.00 C ATOM 117 O LEU A 9 2.810 8.338 0.275 1.00 0.00 O ATOM 118 CB LEU A 9 3.980 8.029 3.352 1.00 0.00 C ATOM 119 CG LEU A 9 5.253 7.575 4.054 1.00 0.00 C ATOM 120 CD1 LEU A 9 4.896 7.032 5.444 1.00 0.00 C ATOM 121 CD2 LEU A 9 5.969 6.479 3.236 1.00 0.00 C ATOM 0 H LEU A 9 4.948 10.245 3.446 1.00 0.00 H new ATOM 0 HA LEU A 9 5.028 8.228 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.395 8.663 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.362 7.165 3.111 1.00 0.00 H new ATOM 0 HG LEU A 9 5.926 8.427 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.804 6.705 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.416 7.817 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.214 6.188 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.875 6.170 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.307 5.621 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.231 6.871 2.253 1.00 0.00 H new ATOM 133 N LEU A 10 2.234 9.947 1.742 1.00 0.00 N ATOM 134 CA LEU A 10 0.975 10.240 1.073 1.00 0.00 C ATOM 135 C LEU A 10 1.257 10.719 -0.347 1.00 0.00 C ATOM 136 O LEU A 10 0.648 10.253 -1.306 1.00 0.00 O ATOM 137 CB LEU A 10 0.209 11.311 1.859 1.00 0.00 C ATOM 138 CG LEU A 10 -1.289 11.274 1.501 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.979 10.072 2.179 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.963 12.579 1.963 1.00 0.00 C ATOM 0 H LEU A 10 2.419 10.512 2.571 1.00 0.00 H new ATOM 0 HA LEU A 10 0.364 9.339 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.338 11.147 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.618 12.296 1.636 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.386 11.171 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.036 10.063 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.512 9.147 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.876 10.156 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.023 12.551 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.851 12.684 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.493 13.427 1.465 1.00 0.00 H new ATOM 152 N GLU A 11 2.204 11.636 -0.467 1.00 0.00 N ATOM 153 CA GLU A 11 2.593 12.169 -1.769 1.00 0.00 C ATOM 154 C GLU A 11 3.075 11.045 -2.670 1.00 0.00 C ATOM 155 O GLU A 11 2.612 10.850 -3.794 1.00 0.00 O ATOM 156 CB GLU A 11 3.747 13.148 -1.550 1.00 0.00 C ATOM 157 CG GLU A 11 3.882 14.077 -2.746 1.00 0.00 C ATOM 158 CD GLU A 11 4.365 13.294 -3.962 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.116 12.349 -3.774 1.00 0.00 O ATOM 160 OE2 GLU A 11 3.982 13.652 -5.062 1.00 0.00 O ATOM 0 H GLU A 11 2.720 12.029 0.321 1.00 0.00 H new ATOM 0 HA GLU A 11 1.740 12.661 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.572 13.731 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.676 12.598 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.922 14.546 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.584 14.879 -2.517 1.00 0.00 H new ATOM 167 N TRP A 12 4.026 10.328 -2.118 1.00 0.00 N ATOM 168 CA TRP A 12 4.674 9.201 -2.755 1.00 0.00 C ATOM 169 C TRP A 12 3.640 8.161 -3.204 1.00 0.00 C ATOM 170 O TRP A 12 3.508 7.881 -4.397 1.00 0.00 O ATOM 171 CB TRP A 12 5.603 8.667 -1.674 1.00 0.00 C ATOM 172 CG TRP A 12 6.322 7.435 -2.057 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.467 7.379 -2.769 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.004 6.080 -1.674 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.870 6.059 -2.854 1.00 0.00 N ATOM 176 CE2 TRP A 12 6.993 5.218 -2.195 1.00 0.00 C ATOM 177 CE3 TRP A 12 4.952 5.527 -0.934 1.00 0.00 C ATOM 178 CZ2 TRP A 12 6.938 3.842 -1.980 1.00 0.00 C ATOM 179 CZ3 TRP A 12 4.891 4.145 -0.714 1.00 0.00 C ATOM 180 CH2 TRP A 12 5.883 3.302 -1.235 1.00 0.00 C ATOM 0 H TRP A 12 4.383 10.518 -1.182 1.00 0.00 H new ATOM 0 HA TRP A 12 5.216 9.466 -3.663 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.332 9.438 -1.422 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.021 8.471 -0.773 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.983 8.224 -3.200 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.709 5.745 -3.342 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.183 6.169 -0.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.704 3.197 -2.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.077 3.727 -0.141 1.00 0.00 H new ATOM 0 HH2 TRP A 12 5.833 2.237 -1.062 1.00 0.00 H new ATOM 191 N CYS A 13 2.897 7.603 -2.246 1.00 0.00 N ATOM 192 CA CYS A 13 1.872 6.611 -2.552 1.00 0.00 C ATOM 193 C CYS A 13 0.914 7.135 -3.630 1.00 0.00 C ATOM 194 O CYS A 13 0.570 6.424 -4.573 1.00 0.00 O ATOM 195 CB CYS A 13 1.094 6.303 -1.271 1.00 0.00 C ATOM 196 SG CYS A 13 0.290 4.692 -1.413 1.00 0.00 S ATOM 0 H CYS A 13 2.988 7.823 -1.254 1.00 0.00 H new ATOM 0 HA CYS A 13 2.347 5.706 -2.932 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.769 6.308 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.348 7.077 -1.093 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.367 4.437 -0.320 1.00 0.00 H new ATOM 202 N ARG A 14 0.510 8.391 -3.477 1.00 0.00 N ATOM 203 CA ARG A 14 -0.392 9.032 -4.436 1.00 0.00 C ATOM 204 C ARG A 14 0.255 9.095 -5.811 1.00 0.00 C ATOM 205 O ARG A 14 -0.383 8.815 -6.828 1.00 0.00 O ATOM 206 CB ARG A 14 -0.717 10.458 -3.966 1.00 0.00 C ATOM 207 CG ARG A 14 -1.789 10.425 -2.882 1.00 0.00 C ATOM 208 CD ARG A 14 -1.967 11.832 -2.310 1.00 0.00 C ATOM 209 NE ARG A 14 -2.396 12.754 -3.358 1.00 0.00 N ATOM 210 CZ ARG A 14 -2.299 14.071 -3.194 1.00 0.00 C ATOM 211 NH1 ARG A 14 -3.177 14.706 -2.466 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.323 14.730 -3.759 1.00 0.00 N ATOM 0 H ARG A 14 0.791 8.988 -2.699 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.308 8.445 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.184 10.936 -3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.061 11.057 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.731 10.066 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.503 9.731 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.704 11.815 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.029 12.176 -1.875 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.776 12.383 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.938 14.193 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.102 15.716 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.635 14.235 -4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.249 15.739 -3.633 1.00 0.00 H new ATOM 226 N ALA A 15 1.524 9.473 -5.827 1.00 0.00 N ATOM 227 CA ALA A 15 2.266 9.600 -7.066 1.00 0.00 C ATOM 228 C ALA A 15 2.159 8.328 -7.898 1.00 0.00 C ATOM 229 O ALA A 15 2.351 8.354 -9.113 1.00 0.00 O ATOM 230 CB ALA A 15 3.733 9.889 -6.748 1.00 0.00 C ATOM 0 H ALA A 15 2.061 9.698 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 15 1.843 10.421 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.295 9.985 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.806 10.817 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.145 9.071 -6.158 1.00 0.00 H new ATOM 236 N MET A 16 1.857 7.216 -7.237 1.00 0.00 N ATOM 237 CA MET A 16 1.729 5.926 -7.917 1.00 0.00 C ATOM 238 C MET A 16 0.264 5.515 -8.034 1.00 0.00 C ATOM 239 O MET A 16 -0.061 4.554 -8.728 1.00 0.00 O ATOM 240 CB MET A 16 2.531 4.871 -7.137 1.00 0.00 C ATOM 241 CG MET A 16 4.036 5.016 -7.459 1.00 0.00 C ATOM 242 SD MET A 16 5.020 4.581 -5.999 1.00 0.00 S ATOM 243 CE MET A 16 6.089 6.044 -5.982 1.00 0.00 C ATOM 0 H MET A 16 1.696 7.179 -6.231 1.00 0.00 H new ATOM 0 HA MET A 16 2.126 6.010 -8.929 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.365 4.993 -6.067 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.188 3.871 -7.401 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.303 4.369 -8.295 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.255 6.039 -7.765 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.987 5.832 -5.401 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.370 6.301 -7.003 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.554 6.880 -5.531 1.00 0.00 H new ATOM 253 N THR A 17 -0.612 6.249 -7.353 1.00 0.00 N ATOM 254 CA THR A 17 -2.045 5.957 -7.382 1.00 0.00 C ATOM 255 C THR A 17 -2.698 6.490 -8.655 1.00 0.00 C ATOM 256 O THR A 17 -3.813 6.106 -9.005 1.00 0.00 O ATOM 257 CB THR A 17 -2.721 6.593 -6.169 1.00 0.00 C ATOM 258 OG1 THR A 17 -2.021 6.217 -4.994 1.00 0.00 O ATOM 259 CG2 THR A 17 -4.167 6.117 -6.080 1.00 0.00 C ATOM 0 H THR A 17 -0.357 7.049 -6.775 1.00 0.00 H new ATOM 0 HA THR A 17 -2.168 4.874 -7.360 1.00 0.00 H new ATOM 0 HB THR A 17 -2.708 7.678 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.076 6.460 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.647 6.572 -5.214 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.702 6.406 -6.985 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.187 5.032 -5.978 1.00 0.00 H new ATOM 267 N ARG A 18 -1.990 7.369 -9.346 1.00 0.00 N ATOM 268 CA ARG A 18 -2.499 7.945 -10.581 1.00 0.00 C ATOM 269 C ARG A 18 -2.649 6.853 -11.635 1.00 0.00 C ATOM 270 O ARG A 18 -3.620 6.819 -12.390 1.00 0.00 O ATOM 271 CB ARG A 18 -1.525 9.008 -11.081 1.00 0.00 C ATOM 272 CG ARG A 18 -2.100 9.686 -12.317 1.00 0.00 C ATOM 273 CD ARG A 18 -1.121 10.740 -12.821 1.00 0.00 C ATOM 274 NE ARG A 18 -1.733 11.487 -13.919 1.00 0.00 N ATOM 275 CZ ARG A 18 -2.244 12.700 -13.731 1.00 0.00 C ATOM 276 NH1 ARG A 18 -1.473 13.746 -13.817 1.00 0.00 N ATOM 277 NH2 ARG A 18 -3.512 12.840 -13.453 1.00 0.00 N ATOM 0 H ARG A 18 -1.064 7.699 -9.074 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.472 8.399 -10.395 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.344 9.746 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.564 8.552 -11.318 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.288 8.947 -13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.058 10.148 -12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.851 11.418 -12.011 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.200 10.265 -13.159 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.769 11.069 -14.849 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.481 13.633 -14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.861 14.678 -13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.112 12.018 -13.380 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.903 13.771 -13.309 1.00 0.00 H new ATOM 291 N ASN A 19 -1.660 5.974 -11.668 1.00 0.00 N ATOM 292 CA ASN A 19 -1.635 4.866 -12.616 1.00 0.00 C ATOM 293 C ASN A 19 -2.798 3.917 -12.356 1.00 0.00 C ATOM 294 O ASN A 19 -3.378 3.353 -13.285 1.00 0.00 O ATOM 295 CB ASN A 19 -0.323 4.094 -12.476 1.00 0.00 C ATOM 296 CG ASN A 19 -0.300 2.920 -13.449 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.165 2.045 -13.389 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.643 2.848 -14.348 1.00 0.00 N ATOM 0 H ASN A 19 -0.855 6.006 -11.043 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.721 5.273 -13.624 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.520 4.756 -12.673 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.212 3.732 -11.454 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.665 2.066 -15.003 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.358 3.574 -14.396 1.00 0.00 H new ATOM 305 N TYR A 20 -3.119 3.743 -11.080 1.00 0.00 N ATOM 306 CA TYR A 20 -4.198 2.856 -10.667 1.00 0.00 C ATOM 307 C TYR A 20 -5.511 3.618 -10.534 1.00 0.00 C ATOM 308 O TYR A 20 -5.515 4.813 -10.232 1.00 0.00 O ATOM 309 CB TYR A 20 -3.840 2.238 -9.323 1.00 0.00 C ATOM 310 CG TYR A 20 -2.596 1.397 -9.475 1.00 0.00 C ATOM 311 CD1 TYR A 20 -2.636 0.231 -10.244 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.407 1.783 -8.850 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.487 -0.553 -10.394 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.256 1.002 -8.998 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.292 -0.165 -9.772 1.00 0.00 C ATOM 316 OH TYR A 20 0.847 -0.934 -9.911 1.00 0.00 O ATOM 0 H TYR A 20 -2.643 4.209 -10.308 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.324 2.082 -11.424 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.675 3.021 -8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.665 1.625 -8.961 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.557 -0.066 -10.724 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.377 2.683 -8.254 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.521 -1.455 -10.987 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.663 1.299 -8.514 1.00 0.00 H new ATOM 0 HH TYR A 20 0.726 -1.568 -10.649 1.00 0.00 H new ATOM 326 N GLU A 21 -6.627 2.923 -10.772 1.00 0.00 N ATOM 327 CA GLU A 21 -7.952 3.540 -10.685 1.00 0.00 C ATOM 328 C GLU A 21 -8.786 2.852 -9.619 1.00 0.00 C ATOM 329 O GLU A 21 -8.334 1.889 -9.004 1.00 0.00 O ATOM 330 CB GLU A 21 -8.664 3.425 -12.030 1.00 0.00 C ATOM 331 CG GLU A 21 -8.879 1.948 -12.374 1.00 0.00 C ATOM 332 CD GLU A 21 -9.436 1.826 -13.785 1.00 0.00 C ATOM 333 OE1 GLU A 21 -8.659 1.941 -14.719 1.00 0.00 O ATOM 334 OE2 GLU A 21 -10.630 1.617 -13.913 1.00 0.00 O ATOM 0 H GLU A 21 -6.639 1.935 -11.026 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.829 4.590 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.622 3.943 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.073 3.908 -12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.937 1.406 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.567 1.495 -11.660 1.00 0.00 H new ATOM 341 N HIS A 22 -9.998 3.369 -9.397 1.00 0.00 N ATOM 342 CA HIS A 22 -10.888 2.808 -8.387 1.00 0.00 C ATOM 343 C HIS A 22 -10.243 2.973 -7.017 1.00 0.00 C ATOM 344 O HIS A 22 -10.754 2.509 -6.001 1.00 0.00 O ATOM 345 CB HIS A 22 -11.160 1.325 -8.702 1.00 0.00 C ATOM 346 CG HIS A 22 -12.193 0.752 -7.767 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.936 0.534 -6.426 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.471 0.308 -7.977 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.031 -0.018 -5.883 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.001 -0.176 -6.784 1.00 0.00 N ATOM 0 H HIS A 22 -10.380 4.169 -9.901 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.844 3.332 -8.390 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.503 1.226 -9.732 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.234 0.756 -8.618 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.068 0.754 -5.937 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.989 0.330 -8.924 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.117 -0.300 -4.844 1.00 0.00 H new ATOM 358 N VAL A 23 -9.104 3.669 -7.007 1.00 0.00 N ATOM 359 CA VAL A 23 -8.361 3.924 -5.774 1.00 0.00 C ATOM 360 C VAL A 23 -8.164 5.430 -5.587 1.00 0.00 C ATOM 361 O VAL A 23 -7.695 6.121 -6.489 1.00 0.00 O ATOM 362 CB VAL A 23 -6.998 3.229 -5.868 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.121 3.576 -4.662 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.205 1.718 -5.925 1.00 0.00 C ATOM 0 H VAL A 23 -8.676 4.067 -7.843 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.917 3.535 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.495 3.574 -6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.160 3.070 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.962 4.654 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.616 3.252 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.237 1.220 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.722 1.387 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.804 1.466 -6.800 1.00 0.00 H new ATOM 374 N ASP A 24 -8.512 5.922 -4.401 1.00 0.00 N ATOM 375 CA ASP A 24 -8.366 7.347 -4.080 1.00 0.00 C ATOM 376 C ASP A 24 -7.801 7.502 -2.673 1.00 0.00 C ATOM 377 O ASP A 24 -8.498 7.276 -1.685 1.00 0.00 O ATOM 378 CB ASP A 24 -9.720 8.047 -4.174 1.00 0.00 C ATOM 379 CG ASP A 24 -10.142 8.171 -5.634 1.00 0.00 C ATOM 380 OD1 ASP A 24 -9.290 8.009 -6.492 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.311 8.424 -5.873 1.00 0.00 O ATOM 0 H ASP A 24 -8.898 5.358 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.682 7.804 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.469 7.484 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.660 9.036 -3.719 1.00 0.00 H new ATOM 386 N ILE A 25 -6.523 7.855 -2.591 1.00 0.00 N ATOM 387 CA ILE A 25 -5.858 7.997 -1.298 1.00 0.00 C ATOM 388 C ILE A 25 -6.160 9.338 -0.623 1.00 0.00 C ATOM 389 O ILE A 25 -5.464 10.333 -0.824 1.00 0.00 O ATOM 390 CB ILE A 25 -4.351 7.794 -1.479 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.112 6.338 -1.900 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.618 8.080 -0.165 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.642 6.120 -2.260 1.00 0.00 C ATOM 0 H ILE A 25 -5.929 8.047 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.252 7.230 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.972 8.476 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.398 5.667 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.742 6.092 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.547 7.932 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.805 9.110 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.979 7.402 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.490 5.082 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.368 6.777 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.018 6.345 -1.395 1.00 0.00 H new ATOM 405 N GLN A 26 -7.210 9.325 0.202 1.00 0.00 N ATOM 406 CA GLN A 26 -7.629 10.509 0.960 1.00 0.00 C ATOM 407 C GLN A 26 -7.109 10.388 2.386 1.00 0.00 C ATOM 408 O GLN A 26 -6.895 11.380 3.080 1.00 0.00 O ATOM 409 CB GLN A 26 -9.156 10.614 0.980 1.00 0.00 C ATOM 410 CG GLN A 26 -9.664 10.934 -0.426 1.00 0.00 C ATOM 411 CD GLN A 26 -11.188 10.970 -0.432 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.818 10.815 0.613 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.822 11.170 -1.555 1.00 0.00 N ATOM 0 H GLN A 26 -7.790 8.502 0.363 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.224 11.403 0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.591 9.678 1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.468 11.392 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.268 11.895 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.307 10.183 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.298 11.298 -2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.842 11.198 -1.567 1.00 0.00 H new ATOM 422 N ASN A 27 -6.895 9.147 2.793 1.00 0.00 N ATOM 423 CA ASN A 27 -6.376 8.841 4.116 1.00 0.00 C ATOM 424 C ASN A 27 -5.717 7.476 4.066 1.00 0.00 C ATOM 425 O ASN A 27 -5.573 6.899 2.991 1.00 0.00 O ATOM 426 CB ASN A 27 -7.491 8.847 5.164 1.00 0.00 C ATOM 427 CG ASN A 27 -8.478 7.719 4.893 1.00 0.00 C ATOM 428 OD1 ASN A 27 -8.358 7.014 3.891 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.453 7.503 5.733 1.00 0.00 N ATOM 0 H ASN A 27 -7.076 8.325 2.217 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.652 9.603 4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.063 8.734 6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.010 9.805 5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.118 6.749 5.560 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.551 8.088 6.563 1.00 0.00 H new ATOM 436 N PHE A 28 -5.314 6.961 5.217 1.00 0.00 N ATOM 437 CA PHE A 28 -4.669 5.653 5.270 1.00 0.00 C ATOM 438 C PHE A 28 -5.642 4.596 5.776 1.00 0.00 C ATOM 439 O PHE A 28 -5.335 3.404 5.788 1.00 0.00 O ATOM 440 CB PHE A 28 -3.463 5.726 6.201 1.00 0.00 C ATOM 441 CG PHE A 28 -2.354 6.497 5.518 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.729 5.958 4.387 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.953 7.746 6.011 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.707 6.669 3.748 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.931 8.456 5.371 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.308 7.917 4.239 1.00 0.00 C ATOM 0 H PHE A 28 -5.419 7.422 6.121 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.348 5.376 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.739 6.214 7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.122 4.722 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.035 4.994 4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.433 8.161 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.226 6.254 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.623 9.419 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.481 8.465 3.745 1.00 0.00 H new ATOM 456 N SER A 29 -6.803 5.053 6.232 1.00 0.00 N ATOM 457 CA SER A 29 -7.822 4.163 6.799 1.00 0.00 C ATOM 458 C SER A 29 -8.977 3.880 5.840 1.00 0.00 C ATOM 459 O SER A 29 -9.085 2.790 5.278 1.00 0.00 O ATOM 460 CB SER A 29 -8.388 4.810 8.060 1.00 0.00 C ATOM 461 OG SER A 29 -7.366 4.895 9.044 1.00 0.00 O ATOM 0 H SER A 29 -7.067 6.038 6.222 1.00 0.00 H new ATOM 0 HA SER A 29 -7.335 3.211 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.772 5.804 7.831 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.225 4.224 8.439 1.00 0.00 H new ATOM 0 HG SER A 29 -7.351 4.070 9.572 1.00 0.00 H new ATOM 467 N SER A 30 -9.848 4.868 5.679 1.00 0.00 N ATOM 468 CA SER A 30 -11.024 4.726 4.827 1.00 0.00 C ATOM 469 C SER A 30 -10.662 4.442 3.379 1.00 0.00 C ATOM 470 O SER A 30 -11.304 3.621 2.723 1.00 0.00 O ATOM 471 CB SER A 30 -11.868 6.001 4.889 1.00 0.00 C ATOM 472 OG SER A 30 -13.169 5.724 4.390 1.00 0.00 O ATOM 0 H SER A 30 -9.763 5.780 6.128 1.00 0.00 H new ATOM 0 HA SER A 30 -11.589 3.873 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.928 6.362 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.400 6.790 4.301 1.00 0.00 H new ATOM 0 HG SER A 30 -13.714 6.537 4.429 1.00 0.00 H new ATOM 478 N SER A 31 -9.662 5.133 2.874 1.00 0.00 N ATOM 479 CA SER A 31 -9.260 4.951 1.492 1.00 0.00 C ATOM 480 C SER A 31 -8.590 3.599 1.287 1.00 0.00 C ATOM 481 O SER A 31 -8.196 3.255 0.172 1.00 0.00 O ATOM 482 CB SER A 31 -8.309 6.069 1.084 1.00 0.00 C ATOM 483 OG SER A 31 -9.016 7.303 1.074 1.00 0.00 O ATOM 0 H SER A 31 -9.116 5.821 3.393 1.00 0.00 H new ATOM 0 HA SER A 31 -10.153 4.983 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.471 6.122 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.892 5.867 0.097 1.00 0.00 H new ATOM 0 HG SER A 31 -9.063 7.661 1.985 1.00 0.00 H new ATOM 489 N TRP A 32 -8.454 2.835 2.371 1.00 0.00 N ATOM 490 CA TRP A 32 -7.815 1.518 2.311 1.00 0.00 C ATOM 491 C TRP A 32 -8.811 0.394 2.579 1.00 0.00 C ATOM 492 O TRP A 32 -8.471 -0.785 2.479 1.00 0.00 O ATOM 493 CB TRP A 32 -6.723 1.479 3.364 1.00 0.00 C ATOM 494 CG TRP A 32 -5.608 2.362 2.947 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.699 3.700 2.798 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.239 2.003 2.633 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.471 4.181 2.387 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.533 3.173 2.288 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.552 0.784 2.614 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.183 3.130 1.942 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.198 0.738 2.262 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.512 1.909 1.930 1.00 0.00 C ATOM 0 H TRP A 32 -8.777 3.104 3.300 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.409 1.368 1.311 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.118 1.803 4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.364 0.458 3.495 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.584 4.295 2.971 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.280 5.162 2.182 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.070 -0.128 2.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.660 4.039 1.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.680 -0.209 2.247 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.466 1.868 1.665 1.00 0.00 H new ATOM 513 N SER A 33 -10.033 0.759 2.937 1.00 0.00 N ATOM 514 CA SER A 33 -11.059 -0.236 3.235 1.00 0.00 C ATOM 515 C SER A 33 -11.355 -1.116 2.023 1.00 0.00 C ATOM 516 O SER A 33 -12.129 -2.067 2.118 1.00 0.00 O ATOM 517 CB SER A 33 -12.347 0.456 3.680 1.00 0.00 C ATOM 518 OG SER A 33 -13.250 -0.516 4.192 1.00 0.00 O ATOM 0 H SER A 33 -10.339 1.728 3.028 1.00 0.00 H new ATOM 0 HA SER A 33 -10.680 -0.869 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.127 1.203 4.443 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.800 0.983 2.840 1.00 0.00 H new ATOM 0 HG SER A 33 -13.247 -0.481 5.171 1.00 0.00 H new ATOM 524 N SER A 34 -10.751 -0.795 0.879 1.00 0.00 N ATOM 525 CA SER A 34 -10.982 -1.571 -0.339 1.00 0.00 C ATOM 526 C SER A 34 -9.937 -2.671 -0.512 1.00 0.00 C ATOM 527 O SER A 34 -10.173 -3.651 -1.218 1.00 0.00 O ATOM 528 CB SER A 34 -10.924 -0.641 -1.548 1.00 0.00 C ATOM 529 OG SER A 34 -9.602 -0.134 -1.686 1.00 0.00 O ATOM 0 H SER A 34 -10.106 -0.013 0.770 1.00 0.00 H new ATOM 0 HA SER A 34 -11.963 -2.039 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.216 -1.179 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.630 0.180 -1.424 1.00 0.00 H new ATOM 0 HG SER A 34 -9.619 0.679 -2.233 1.00 0.00 H new ATOM 535 N GLY A 35 -8.770 -2.486 0.094 1.00 0.00 N ATOM 536 CA GLY A 35 -7.695 -3.461 -0.051 1.00 0.00 C ATOM 537 C GLY A 35 -7.014 -3.251 -1.393 1.00 0.00 C ATOM 538 O GLY A 35 -5.936 -3.782 -1.658 1.00 0.00 O ATOM 0 H GLY A 35 -8.545 -1.683 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.974 -3.349 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.094 -4.473 0.015 1.00 0.00 H new ATOM 542 N MET A 36 -7.665 -2.450 -2.229 1.00 0.00 N ATOM 543 CA MET A 36 -7.155 -2.130 -3.549 1.00 0.00 C ATOM 544 C MET A 36 -5.827 -1.384 -3.438 1.00 0.00 C ATOM 545 O MET A 36 -4.966 -1.489 -4.311 1.00 0.00 O ATOM 546 CB MET A 36 -8.181 -1.250 -4.270 1.00 0.00 C ATOM 547 CG MET A 36 -9.489 -2.027 -4.477 1.00 0.00 C ATOM 548 SD MET A 36 -9.368 -3.037 -5.975 1.00 0.00 S ATOM 549 CE MET A 36 -10.164 -1.869 -7.110 1.00 0.00 C ATOM 0 H MET A 36 -8.557 -2.008 -2.008 1.00 0.00 H new ATOM 0 HA MET A 36 -6.989 -3.051 -4.108 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.372 -0.349 -3.687 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.784 -0.929 -5.233 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.687 -2.662 -3.613 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.326 -1.334 -4.561 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.905 -2.126 -8.137 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.246 -1.920 -6.985 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.821 -0.858 -6.891 1.00 0.00 H new ATOM 559 N ALA A 37 -5.675 -0.616 -2.362 1.00 0.00 N ATOM 560 CA ALA A 37 -4.453 0.158 -2.155 1.00 0.00 C ATOM 561 C ALA A 37 -3.225 -0.746 -2.002 1.00 0.00 C ATOM 562 O ALA A 37 -2.226 -0.557 -2.695 1.00 0.00 O ATOM 563 CB ALA A 37 -4.595 1.043 -0.917 1.00 0.00 C ATOM 0 H ALA A 37 -6.374 -0.513 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.306 0.780 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.679 1.615 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.433 1.727 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.775 0.418 -0.042 1.00 0.00 H new ATOM 569 N PHE A 38 -3.292 -1.716 -1.090 1.00 0.00 N ATOM 570 CA PHE A 38 -2.156 -2.618 -0.867 1.00 0.00 C ATOM 571 C PHE A 38 -1.769 -3.347 -2.156 1.00 0.00 C ATOM 572 O PHE A 38 -0.585 -3.454 -2.477 1.00 0.00 O ATOM 573 CB PHE A 38 -2.491 -3.652 0.229 1.00 0.00 C ATOM 574 CG PHE A 38 -2.208 -3.073 1.605 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.887 -2.807 1.991 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.259 -2.809 2.494 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.620 -2.278 3.260 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.987 -2.277 3.762 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.670 -2.014 4.141 1.00 0.00 C ATOM 0 H PHE A 38 -4.105 -1.898 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.312 -2.010 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.540 -3.941 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.900 -4.556 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.074 -3.010 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.278 -3.015 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.398 -2.074 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.797 -2.071 4.446 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.463 -1.605 5.119 1.00 0.00 H new ATOM 589 N CYS A 39 -2.755 -3.860 -2.874 1.00 0.00 N ATOM 590 CA CYS A 39 -2.479 -4.587 -4.112 1.00 0.00 C ATOM 591 C CYS A 39 -1.890 -3.662 -5.180 1.00 0.00 C ATOM 592 O CYS A 39 -0.905 -4.000 -5.839 1.00 0.00 O ATOM 593 CB CYS A 39 -3.776 -5.215 -4.642 1.00 0.00 C ATOM 594 SG CYS A 39 -4.073 -6.788 -3.802 1.00 0.00 S ATOM 0 H CYS A 39 -3.743 -3.791 -2.629 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.749 -5.366 -3.891 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.614 -4.538 -4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.702 -5.374 -5.718 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.775 -6.580 -2.728 1.00 0.00 H new ATOM 600 N ALA A 40 -2.522 -2.508 -5.360 1.00 0.00 N ATOM 601 CA ALA A 40 -2.094 -1.544 -6.369 1.00 0.00 C ATOM 602 C ALA A 40 -0.691 -1.005 -6.101 1.00 0.00 C ATOM 603 O ALA A 40 0.105 -0.844 -7.028 1.00 0.00 O ATOM 604 CB ALA A 40 -3.086 -0.384 -6.386 1.00 0.00 C ATOM 0 H ALA A 40 -3.336 -2.216 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.067 -2.053 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.780 0.346 -7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.080 -0.759 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.107 0.091 -5.405 1.00 0.00 H new ATOM 610 N LEU A 41 -0.404 -0.705 -4.845 1.00 0.00 N ATOM 611 CA LEU A 41 0.897 -0.157 -4.472 1.00 0.00 C ATOM 612 C LEU A 41 2.020 -1.157 -4.771 1.00 0.00 C ATOM 613 O LEU A 41 3.064 -0.795 -5.314 1.00 0.00 O ATOM 614 CB LEU A 41 0.864 0.200 -2.982 1.00 0.00 C ATOM 615 CG LEU A 41 2.174 0.862 -2.540 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.356 2.218 -3.246 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.127 1.076 -1.023 1.00 0.00 C ATOM 0 H LEU A 41 -1.050 -0.830 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 41 1.100 0.738 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.029 0.873 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.693 -0.701 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 41 3.013 0.218 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.291 2.675 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.382 2.066 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.524 2.875 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.053 1.547 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.284 1.719 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.011 0.114 -0.523 1.00 0.00 H new ATOM 629 N ILE A 42 1.784 -2.415 -4.419 1.00 0.00 N ATOM 630 CA ILE A 42 2.754 -3.489 -4.654 1.00 0.00 C ATOM 631 C ILE A 42 2.957 -3.753 -6.149 1.00 0.00 C ATOM 632 O ILE A 42 4.079 -3.948 -6.607 1.00 0.00 O ATOM 633 CB ILE A 42 2.263 -4.771 -3.949 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.375 -4.602 -2.420 1.00 0.00 C ATOM 635 CG2 ILE A 42 3.070 -6.005 -4.388 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.843 -4.418 -1.972 1.00 0.00 C ATOM 0 H ILE A 42 0.923 -2.723 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 42 3.717 -3.182 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 42 1.222 -4.928 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.787 -3.740 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.950 -5.475 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.695 -6.888 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.966 -6.144 -5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.122 -5.859 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.881 -4.302 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.425 -5.292 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.260 -3.530 -2.447 1.00 0.00 H new ATOM 648 N HIS A 43 1.869 -3.772 -6.894 1.00 0.00 N ATOM 649 CA HIS A 43 1.937 -4.046 -8.330 1.00 0.00 C ATOM 650 C HIS A 43 2.913 -3.109 -9.042 1.00 0.00 C ATOM 651 O HIS A 43 3.748 -3.552 -9.832 1.00 0.00 O ATOM 652 CB HIS A 43 0.543 -3.886 -8.933 1.00 0.00 C ATOM 653 CG HIS A 43 0.581 -4.160 -10.411 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.387 -3.160 -11.350 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.775 -5.315 -11.127 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.465 -3.727 -12.567 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.700 -5.038 -12.488 1.00 0.00 N ATOM 0 H HIS A 43 0.928 -3.603 -6.538 1.00 0.00 H new ATOM 0 HA HIS A 43 2.298 -5.065 -8.466 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.152 -4.571 -8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.175 -2.876 -8.752 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.958 -6.290 -10.699 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.351 -3.187 -13.495 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.803 -5.696 -13.260 1.00 0.00 H new ATOM 665 N LYS A 44 2.792 -1.824 -8.766 1.00 0.00 N ATOM 666 CA LYS A 44 3.651 -0.823 -9.396 1.00 0.00 C ATOM 667 C LYS A 44 5.115 -1.257 -9.397 1.00 0.00 C ATOM 668 O LYS A 44 5.868 -0.926 -10.312 1.00 0.00 O ATOM 669 CB LYS A 44 3.511 0.524 -8.639 1.00 0.00 C ATOM 670 CG LYS A 44 3.234 1.673 -9.614 1.00 0.00 C ATOM 671 CD LYS A 44 4.469 1.919 -10.484 1.00 0.00 C ATOM 672 CE LYS A 44 4.177 3.057 -11.460 1.00 0.00 C ATOM 673 NZ LYS A 44 5.379 3.306 -12.306 1.00 0.00 N ATOM 0 H LYS A 44 2.109 -1.443 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 44 3.334 -0.709 -10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.701 0.455 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.424 0.728 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.377 1.431 -10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.980 2.578 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.325 2.171 -9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.730 1.013 -11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.323 2.802 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.911 3.961 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.181 4.081 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.182 3.567 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.613 2.444 -12.839 1.00 0.00 H new ATOM 687 N PHE A 45 5.517 -1.963 -8.353 1.00 0.00 N ATOM 688 CA PHE A 45 6.902 -2.402 -8.215 1.00 0.00 C ATOM 689 C PHE A 45 7.108 -3.811 -8.760 1.00 0.00 C ATOM 690 O PHE A 45 8.205 -4.160 -9.187 1.00 0.00 O ATOM 691 CB PHE A 45 7.287 -2.355 -6.730 1.00 0.00 C ATOM 692 CG PHE A 45 6.677 -1.134 -6.068 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.606 0.096 -6.747 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.183 -1.233 -4.762 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.046 1.212 -6.118 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.624 -0.116 -4.136 1.00 0.00 C ATOM 697 CZ PHE A 45 5.556 1.107 -4.814 1.00 0.00 C ATOM 0 H PHE A 45 4.906 -2.246 -7.587 1.00 0.00 H new ATOM 0 HA PHE A 45 7.537 -1.734 -8.796 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.942 -3.260 -6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.372 -2.328 -6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.984 0.178 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.234 -2.175 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.992 2.156 -6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.244 -0.196 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.124 1.970 -4.329 1.00 0.00 H new ATOM 707 N PHE A 46 6.062 -4.626 -8.710 1.00 0.00 N ATOM 708 CA PHE A 46 6.149 -6.015 -9.167 1.00 0.00 C ATOM 709 C PHE A 46 5.128 -6.303 -10.284 1.00 0.00 C ATOM 710 O PHE A 46 3.956 -6.517 -9.992 1.00 0.00 O ATOM 711 CB PHE A 46 5.878 -6.910 -7.961 1.00 0.00 C ATOM 712 CG PHE A 46 6.940 -6.635 -6.922 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.203 -7.216 -7.042 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.662 -5.787 -5.847 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.186 -6.949 -6.080 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.637 -5.521 -4.888 1.00 0.00 C ATOM 717 CZ PHE A 46 8.897 -6.097 -5.000 1.00 0.00 C ATOM 0 H PHE A 46 5.144 -4.354 -8.359 1.00 0.00 H new ATOM 0 HA PHE A 46 7.139 -6.207 -9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.887 -6.710 -7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.896 -7.960 -8.255 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.422 -7.869 -7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.685 -5.335 -5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.165 -7.397 -6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.414 -4.867 -4.058 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.654 -5.890 -4.258 1.00 0.00 H new ATOM 727 N PRO A 47 5.528 -6.308 -11.548 1.00 0.00 N ATOM 728 CA PRO A 47 4.582 -6.580 -12.679 1.00 0.00 C ATOM 729 C PRO A 47 4.227 -8.062 -12.781 1.00 0.00 C ATOM 730 O PRO A 47 3.083 -8.423 -13.056 1.00 0.00 O ATOM 731 CB PRO A 47 5.335 -6.109 -13.947 1.00 0.00 C ATOM 732 CG PRO A 47 6.675 -5.591 -13.486 1.00 0.00 C ATOM 733 CD PRO A 47 6.890 -6.065 -12.047 1.00 0.00 C ATOM 0 HA PRO A 47 3.634 -6.061 -12.538 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.459 -6.931 -14.652 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.775 -5.329 -14.463 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.471 -5.961 -14.133 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.702 -4.503 -13.538 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.496 -6.970 -12.011 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.406 -5.312 -11.451 1.00 0.00 H new ATOM 741 N GLU A 48 5.220 -8.906 -12.545 1.00 0.00 N ATOM 742 CA GLU A 48 5.021 -10.349 -12.598 1.00 0.00 C ATOM 743 C GLU A 48 4.208 -10.769 -11.380 1.00 0.00 C ATOM 744 O GLU A 48 4.079 -11.952 -11.070 1.00 0.00 O ATOM 745 CB GLU A 48 6.383 -11.076 -12.618 1.00 0.00 C ATOM 746 CG GLU A 48 7.435 -10.228 -11.897 1.00 0.00 C ATOM 747 CD GLU A 48 6.943 -9.870 -10.501 1.00 0.00 C ATOM 748 OE1 GLU A 48 6.346 -10.725 -9.867 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.173 -8.747 -10.082 1.00 0.00 O ATOM 0 H GLU A 48 6.171 -8.618 -12.315 1.00 0.00 H new ATOM 0 HA GLU A 48 4.485 -10.618 -13.508 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.293 -12.049 -12.135 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.693 -11.259 -13.647 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.375 -10.777 -11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.635 -9.320 -12.466 1.00 0.00 H new ATOM 756 N ALA A 49 3.665 -9.767 -10.693 1.00 0.00 N ATOM 757 CA ALA A 49 2.862 -9.993 -9.499 1.00 0.00 C ATOM 758 C ALA A 49 1.474 -10.512 -9.842 1.00 0.00 C ATOM 759 O ALA A 49 1.162 -11.680 -9.622 1.00 0.00 O ATOM 760 CB ALA A 49 2.692 -8.675 -8.757 1.00 0.00 C ATOM 0 H ALA A 49 3.769 -8.785 -10.947 1.00 0.00 H new ATOM 0 HA ALA A 49 3.378 -10.735 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.092 -8.836 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.671 -8.289 -8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.192 -7.955 -9.404 1.00 0.00 H new ATOM 766 N PHE A 50 0.662 -9.623 -10.393 1.00 0.00 N ATOM 767 CA PHE A 50 -0.689 -9.961 -10.783 1.00 0.00 C ATOM 768 C PHE A 50 -1.283 -8.825 -11.602 1.00 0.00 C ATOM 769 O PHE A 50 -0.787 -7.698 -11.566 1.00 0.00 O ATOM 770 CB PHE A 50 -1.550 -10.216 -9.540 1.00 0.00 C ATOM 771 CG PHE A 50 -1.284 -9.154 -8.496 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.897 -7.899 -8.596 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.424 -9.429 -7.425 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.649 -6.920 -7.624 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.177 -8.451 -6.456 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.789 -7.197 -6.555 1.00 0.00 C ATOM 0 H PHE A 50 0.923 -8.655 -10.579 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.669 -10.868 -11.387 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.605 -10.213 -9.812 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.329 -11.202 -9.131 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.560 -7.686 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.049 -10.397 -7.347 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.122 -5.952 -7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.487 -8.664 -5.631 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.598 -6.442 -5.806 1.00 0.00 H new ATOM 786 N ASP A 51 -2.360 -9.119 -12.312 1.00 0.00 N ATOM 787 CA ASP A 51 -3.032 -8.104 -13.110 1.00 0.00 C ATOM 788 C ASP A 51 -4.022 -7.345 -12.234 1.00 0.00 C ATOM 789 O ASP A 51 -5.140 -7.806 -12.013 1.00 0.00 O ATOM 790 CB ASP A 51 -3.771 -8.765 -14.278 1.00 0.00 C ATOM 791 CG ASP A 51 -2.776 -9.208 -15.350 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.617 -8.851 -15.242 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.196 -9.898 -16.266 1.00 0.00 O ATOM 0 H ASP A 51 -2.786 -10.045 -12.353 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.293 -7.408 -13.508 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.337 -9.625 -13.920 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.490 -8.066 -14.705 1.00 0.00 H new ATOM 798 N TYR A 52 -3.598 -6.194 -11.723 1.00 0.00 N ATOM 799 CA TYR A 52 -4.443 -5.384 -10.853 1.00 0.00 C ATOM 800 C TYR A 52 -5.732 -5.004 -11.552 1.00 0.00 C ATOM 801 O TYR A 52 -6.733 -4.692 -10.908 1.00 0.00 O ATOM 802 CB TYR A 52 -3.695 -4.106 -10.465 1.00 0.00 C ATOM 803 CG TYR A 52 -4.613 -3.186 -9.686 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.905 -3.451 -8.343 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.179 -2.068 -10.317 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.762 -2.604 -7.632 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.034 -1.219 -9.604 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.326 -1.488 -8.261 1.00 0.00 C ATOM 809 OH TYR A 52 -7.171 -0.654 -7.559 1.00 0.00 O ATOM 0 H TYR A 52 -2.673 -5.801 -11.897 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.683 -5.969 -9.965 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.820 -4.355 -9.864 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.333 -3.600 -11.360 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.468 -4.310 -7.855 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.955 -1.862 -11.353 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.989 -2.811 -6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.468 -0.357 -10.089 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.682 -0.102 -8.187 1.00 0.00 H new ATOM 819 N ALA A 53 -5.705 -5.030 -12.871 1.00 0.00 N ATOM 820 CA ALA A 53 -6.883 -4.684 -13.651 1.00 0.00 C ATOM 821 C ALA A 53 -7.842 -5.867 -13.718 1.00 0.00 C ATOM 822 O ALA A 53 -9.013 -5.711 -14.064 1.00 0.00 O ATOM 823 CB ALA A 53 -6.463 -4.279 -15.062 1.00 0.00 C ATOM 0 H ALA A 53 -4.887 -5.285 -13.424 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.391 -3.849 -13.169 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.347 -4.020 -15.645 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.797 -3.417 -15.010 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.944 -5.110 -15.540 1.00 0.00 H new ATOM 829 N GLU A 54 -7.334 -7.052 -13.396 1.00 0.00 N ATOM 830 CA GLU A 54 -8.142 -8.267 -13.427 1.00 0.00 C ATOM 831 C GLU A 54 -8.840 -8.487 -12.098 1.00 0.00 C ATOM 832 O GLU A 54 -9.775 -9.285 -11.999 1.00 0.00 O ATOM 833 CB GLU A 54 -7.230 -9.457 -13.712 1.00 0.00 C ATOM 834 CG GLU A 54 -8.051 -10.636 -14.236 1.00 0.00 C ATOM 835 CD GLU A 54 -8.545 -10.348 -15.647 1.00 0.00 C ATOM 836 OE1 GLU A 54 -7.959 -9.499 -16.297 1.00 0.00 O ATOM 837 OE2 GLU A 54 -9.499 -10.988 -16.061 1.00 0.00 O ATOM 0 H GLU A 54 -6.366 -7.197 -13.110 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.899 -8.166 -14.205 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.473 -9.177 -14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.703 -9.747 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.444 -11.541 -14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.899 -10.819 -13.576 1.00 0.00 H new ATOM 844 N LEU A 55 -8.375 -7.786 -11.074 1.00 0.00 N ATOM 845 CA LEU A 55 -8.952 -7.920 -9.742 1.00 0.00 C ATOM 846 C LEU A 55 -10.195 -7.056 -9.592 1.00 0.00 C ATOM 847 O LEU A 55 -10.355 -6.049 -10.283 1.00 0.00 O ATOM 848 CB LEU A 55 -7.904 -7.523 -8.705 1.00 0.00 C ATOM 849 CG LEU A 55 -6.769 -8.562 -8.707 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.574 -8.042 -7.897 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.262 -9.898 -8.105 1.00 0.00 C ATOM 0 H LEU A 55 -7.604 -7.122 -11.138 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.251 -8.957 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.507 -6.533 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.358 -7.465 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.457 -8.730 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.777 -8.786 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.210 -7.115 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.885 -7.855 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.448 -10.623 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.592 -9.735 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.094 -10.279 -8.698 1.00 0.00 H new ATOM 863 N ASP A 56 -11.083 -7.464 -8.681 1.00 0.00 N ATOM 864 CA ASP A 56 -12.323 -6.738 -8.440 1.00 0.00 C ATOM 865 C ASP A 56 -12.463 -6.394 -6.949 1.00 0.00 C ATOM 866 O ASP A 56 -11.806 -7.012 -6.109 1.00 0.00 O ATOM 867 CB ASP A 56 -13.499 -7.607 -8.888 1.00 0.00 C ATOM 868 CG ASP A 56 -13.428 -8.982 -8.230 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.243 -9.029 -7.026 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.561 -9.965 -8.940 1.00 0.00 O ATOM 0 H ASP A 56 -10.962 -8.294 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.313 -5.807 -9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.439 -7.120 -8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.487 -7.715 -9.973 1.00 0.00 H new ATOM 875 N PRO A 57 -13.308 -5.438 -6.589 1.00 0.00 N ATOM 876 CA PRO A 57 -13.511 -5.059 -5.162 1.00 0.00 C ATOM 877 C PRO A 57 -14.334 -6.125 -4.452 1.00 0.00 C ATOM 878 O PRO A 57 -14.485 -6.107 -3.232 1.00 0.00 O ATOM 879 CB PRO A 57 -14.257 -3.704 -5.206 1.00 0.00 C ATOM 880 CG PRO A 57 -14.465 -3.374 -6.660 1.00 0.00 C ATOM 881 CD PRO A 57 -14.162 -4.632 -7.473 1.00 0.00 C ATOM 0 HA PRO A 57 -12.573 -4.976 -4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.211 -3.770 -4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.676 -2.926 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.489 -3.044 -6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.811 -2.556 -6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.076 -5.164 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.653 -4.390 -8.406 1.00 0.00 H new ATOM 889 N ALA A 58 -14.872 -7.040 -5.242 1.00 0.00 N ATOM 890 CA ALA A 58 -15.683 -8.122 -4.707 1.00 0.00 C ATOM 891 C ALA A 58 -14.819 -9.100 -3.916 1.00 0.00 C ATOM 892 O ALA A 58 -15.220 -9.594 -2.862 1.00 0.00 O ATOM 893 CB ALA A 58 -16.351 -8.867 -5.862 1.00 0.00 C ATOM 0 H ALA A 58 -14.762 -7.055 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.437 -7.700 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.961 -9.680 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.984 -8.178 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.586 -9.275 -6.522 1.00 0.00 H new ATOM 899 N LYS A 59 -13.637 -9.389 -4.457 1.00 0.00 N ATOM 900 CA LYS A 59 -12.706 -10.333 -3.833 1.00 0.00 C ATOM 901 C LYS A 59 -11.680 -9.596 -2.968 1.00 0.00 C ATOM 902 O LYS A 59 -10.507 -9.497 -3.330 1.00 0.00 O ATOM 903 CB LYS A 59 -11.983 -11.120 -4.946 1.00 0.00 C ATOM 904 CG LYS A 59 -12.804 -12.349 -5.365 1.00 0.00 C ATOM 905 CD LYS A 59 -14.096 -11.909 -6.058 1.00 0.00 C ATOM 906 CE LYS A 59 -14.894 -13.144 -6.479 1.00 0.00 C ATOM 907 NZ LYS A 59 -16.149 -12.717 -7.162 1.00 0.00 N ATOM 0 H LYS A 59 -13.299 -8.982 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.263 -11.014 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.821 -10.474 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.000 -11.436 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.217 -12.976 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.040 -12.954 -4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.690 -11.291 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.864 -11.298 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.297 -13.765 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.131 -13.752 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.692 -13.557 -7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.720 -12.141 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.912 -12.155 -8.004 1.00 0.00 H new ATOM 921 N ARG A 60 -12.131 -9.079 -1.835 1.00 0.00 N ATOM 922 CA ARG A 60 -11.243 -8.344 -0.935 1.00 0.00 C ATOM 923 C ARG A 60 -10.254 -9.268 -0.221 1.00 0.00 C ATOM 924 O ARG A 60 -9.064 -8.970 -0.152 1.00 0.00 O ATOM 925 CB ARG A 60 -12.068 -7.591 0.106 1.00 0.00 C ATOM 926 CG ARG A 60 -12.801 -6.443 -0.580 1.00 0.00 C ATOM 927 CD ARG A 60 -13.695 -5.716 0.425 1.00 0.00 C ATOM 928 NE ARG A 60 -14.384 -4.608 -0.228 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.361 -3.949 0.384 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.161 -3.438 1.568 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.520 -3.810 -0.200 1.00 0.00 N ATOM 0 H ARG A 60 -13.097 -9.151 -1.515 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.671 -7.644 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.782 -8.264 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.420 -7.207 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.081 -5.746 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.403 -6.826 -1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.423 -6.410 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.094 -5.343 1.255 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.110 -4.335 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.254 -3.545 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.911 -2.932 2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.675 -4.208 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.270 -3.304 0.270 1.00 0.00 H new ATOM 945 N ARG A 61 -10.743 -10.383 0.317 1.00 0.00 N ATOM 946 CA ARG A 61 -9.872 -11.313 1.036 1.00 0.00 C ATOM 947 C ARG A 61 -8.654 -11.661 0.211 1.00 0.00 C ATOM 948 O ARG A 61 -7.515 -11.480 0.643 1.00 0.00 O ATOM 949 CB ARG A 61 -10.627 -12.600 1.334 1.00 0.00 C ATOM 950 CG ARG A 61 -9.820 -13.473 2.301 1.00 0.00 C ATOM 951 CD ARG A 61 -10.538 -14.809 2.504 1.00 0.00 C ATOM 952 NE ARG A 61 -10.538 -15.569 1.261 1.00 0.00 N ATOM 953 CZ ARG A 61 -11.145 -16.748 1.173 1.00 0.00 C ATOM 954 NH1 ARG A 61 -12.438 -16.829 1.332 1.00 0.00 N ATOM 955 NH2 ARG A 61 -10.449 -17.824 0.928 1.00 0.00 N ATOM 0 H ARG A 61 -11.723 -10.663 0.271 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.558 -10.829 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.600 -12.368 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.812 -13.145 0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.819 -13.643 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.702 -12.962 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.044 -15.381 3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.562 -14.634 2.833 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.063 -15.189 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.982 -15.988 1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.904 -17.734 1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.439 -17.761 0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.915 -18.729 0.861 1.00 0.00 H new ATOM 969 N HIS A 62 -8.908 -12.177 -0.976 1.00 0.00 N ATOM 970 CA HIS A 62 -7.844 -12.577 -1.866 1.00 0.00 C ATOM 971 C HIS A 62 -6.923 -11.394 -2.167 1.00 0.00 C ATOM 972 O HIS A 62 -5.710 -11.555 -2.296 1.00 0.00 O ATOM 973 CB HIS A 62 -8.460 -13.109 -3.176 1.00 0.00 C ATOM 974 CG HIS A 62 -8.752 -14.580 -3.055 1.00 0.00 C ATOM 975 ND1 HIS A 62 -7.914 -15.542 -3.587 1.00 0.00 N ATOM 976 CD2 HIS A 62 -9.784 -15.263 -2.462 1.00 0.00 C ATOM 977 CE1 HIS A 62 -8.450 -16.744 -3.309 1.00 0.00 C ATOM 978 NE2 HIS A 62 -9.592 -16.631 -2.624 1.00 0.00 N ATOM 0 H HIS A 62 -9.847 -12.328 -1.344 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.252 -13.359 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.378 -12.566 -3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.775 -12.934 -4.006 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -10.618 -14.808 -1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.011 -17.686 -3.603 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.193 -17.385 -2.292 1.00 0.00 H new ATOM 986 N ASN A 63 -7.508 -10.207 -2.264 1.00 0.00 N ATOM 987 CA ASN A 63 -6.740 -9.004 -2.548 1.00 0.00 C ATOM 988 C ASN A 63 -5.734 -8.737 -1.436 1.00 0.00 C ATOM 989 O ASN A 63 -4.582 -8.385 -1.695 1.00 0.00 O ATOM 990 CB ASN A 63 -7.697 -7.810 -2.669 1.00 0.00 C ATOM 991 CG ASN A 63 -7.038 -6.661 -3.426 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.434 -5.780 -2.816 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.124 -6.618 -4.727 1.00 0.00 N ATOM 0 H ASN A 63 -8.510 -10.053 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.198 -9.144 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.606 -8.118 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.994 -7.474 -1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.690 -5.852 -5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.626 -7.350 -5.229 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.175 -8.907 -0.196 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.287 -8.682 0.931 1.00 0.00 C ATOM 1002 C PHE A 64 -4.227 -9.778 0.974 1.00 0.00 C ATOM 1003 O PHE A 64 -3.031 -9.492 1.019 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.084 -8.642 2.243 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.808 -7.315 2.373 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.090 -6.152 2.675 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.196 -7.246 2.187 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.757 -4.926 2.788 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.860 -6.018 2.304 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.140 -4.860 2.603 1.00 0.00 C ATOM 0 H PHE A 64 -7.122 -9.194 0.050 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.792 -7.719 0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.803 -9.461 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.413 -8.783 3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.021 -6.200 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.754 -8.141 1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.201 -4.029 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.930 -5.967 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.652 -3.913 2.691 1.00 0.00 H new ATOM 1020 N THR A 65 -4.670 -11.032 0.941 1.00 0.00 N ATOM 1021 CA THR A 65 -3.736 -12.150 0.970 1.00 0.00 C ATOM 1022 C THR A 65 -2.753 -12.024 -0.181 1.00 0.00 C ATOM 1023 O THR A 65 -1.554 -12.220 -0.010 1.00 0.00 O ATOM 1024 CB THR A 65 -4.474 -13.485 0.837 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.559 -13.524 1.752 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.503 -14.631 1.134 1.00 0.00 C ATOM 0 H THR A 65 -5.654 -11.296 0.895 1.00 0.00 H new ATOM 0 HA THR A 65 -3.211 -12.126 1.925 1.00 0.00 H new ATOM 0 HB THR A 65 -4.860 -13.590 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.311 -13.010 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.025 -15.583 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.675 -14.599 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.117 -14.527 2.148 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.277 -11.697 -1.352 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.451 -11.548 -2.543 1.00 0.00 C ATOM 1036 C LEU A 66 -1.414 -10.450 -2.359 1.00 0.00 C ATOM 1037 O LEU A 66 -0.242 -10.631 -2.689 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.363 -11.198 -3.718 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.560 -10.994 -5.012 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.918 -12.315 -5.452 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.520 -10.505 -6.098 1.00 0.00 C ATOM 0 H LEU A 66 -4.271 -11.529 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.920 -12.482 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.093 -11.994 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.922 -10.291 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.768 -10.264 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.352 -12.156 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.248 -12.672 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.697 -13.057 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.971 -10.353 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.301 -11.249 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.973 -9.564 -5.786 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.845 -9.312 -1.844 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.928 -8.207 -1.644 1.00 0.00 C ATOM 1055 C ALA A 67 0.156 -8.596 -0.658 1.00 0.00 C ATOM 1056 O ALA A 67 1.324 -8.236 -0.820 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.685 -6.975 -1.125 1.00 0.00 C ATOM 0 H ALA A 67 -2.808 -9.131 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.466 -7.963 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.985 -6.153 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.443 -6.681 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.165 -7.216 -0.176 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.241 -9.339 0.365 1.00 0.00 N ATOM 1064 CA PHE A 68 0.702 -9.770 1.383 1.00 0.00 C ATOM 1065 C PHE A 68 1.492 -10.993 0.919 1.00 0.00 C ATOM 1066 O PHE A 68 2.722 -10.999 0.970 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.040 -10.074 2.693 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.660 -8.801 3.258 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.142 -7.684 3.549 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.043 -8.739 3.495 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.433 -6.521 4.066 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.616 -7.567 4.015 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.809 -6.459 4.298 1.00 0.00 C ATOM 0 H PHE A 68 -1.201 -9.653 0.511 1.00 0.00 H new ATOM 0 HA PHE A 68 1.411 -8.961 1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.817 -10.817 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.651 -10.503 3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.207 -7.725 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.666 -9.594 3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.189 -5.666 4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.680 -7.521 4.197 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.250 -5.557 4.695 1.00 0.00 H new ATOM 1083 N SER A 69 0.790 -12.024 0.463 1.00 0.00 N ATOM 1084 CA SER A 69 1.459 -13.236 0.002 1.00 0.00 C ATOM 1085 C SER A 69 2.389 -12.927 -1.166 1.00 0.00 C ATOM 1086 O SER A 69 3.403 -13.600 -1.361 1.00 0.00 O ATOM 1087 CB SER A 69 0.432 -14.287 -0.428 1.00 0.00 C ATOM 1088 OG SER A 69 -0.214 -14.807 0.725 1.00 0.00 O ATOM 0 H SER A 69 -0.228 -12.047 0.403 1.00 0.00 H new ATOM 0 HA SER A 69 2.048 -13.629 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.301 -13.842 -1.101 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.924 -15.090 -0.977 1.00 0.00 H new ATOM 0 HG SER A 69 -0.754 -15.585 0.474 1.00 0.00 H new ATOM 1094 N THR A 70 2.062 -11.887 -1.926 1.00 0.00 N ATOM 1095 CA THR A 70 2.910 -11.496 -3.046 1.00 0.00 C ATOM 1096 C THR A 70 4.120 -10.715 -2.550 1.00 0.00 C ATOM 1097 O THR A 70 5.253 -10.987 -2.947 1.00 0.00 O ATOM 1098 CB THR A 70 2.134 -10.651 -4.057 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.047 -11.414 -4.567 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.064 -10.246 -5.212 1.00 0.00 C ATOM 0 H THR A 70 1.232 -11.309 -1.791 1.00 0.00 H new ATOM 0 HA THR A 70 3.247 -12.407 -3.540 1.00 0.00 H new ATOM 0 HB THR A 70 1.755 -9.753 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.245 -11.238 -4.033 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.509 -9.644 -5.932 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.899 -9.665 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.444 -11.141 -5.704 1.00 0.00 H new ATOM 1108 N ALA A 71 3.870 -9.738 -1.682 1.00 0.00 N ATOM 1109 CA ALA A 71 4.944 -8.919 -1.139 1.00 0.00 C ATOM 1110 C ALA A 71 5.900 -9.764 -0.309 1.00 0.00 C ATOM 1111 O ALA A 71 7.101 -9.499 -0.272 1.00 0.00 O ATOM 1112 CB ALA A 71 4.372 -7.793 -0.272 1.00 0.00 C ATOM 0 H ALA A 71 2.939 -9.497 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 71 5.492 -8.485 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.188 -7.190 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.718 -7.165 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.802 -8.222 0.552 1.00 0.00 H new ATOM 1118 N GLU A 72 5.368 -10.784 0.362 1.00 0.00 N ATOM 1119 CA GLU A 72 6.203 -11.650 1.185 1.00 0.00 C ATOM 1120 C GLU A 72 7.056 -12.572 0.311 1.00 0.00 C ATOM 1121 O GLU A 72 8.264 -12.673 0.496 1.00 0.00 O ATOM 1122 CB GLU A 72 5.332 -12.486 2.128 1.00 0.00 C ATOM 1123 CG GLU A 72 6.224 -13.227 3.130 1.00 0.00 C ATOM 1124 CD GLU A 72 5.365 -14.008 4.120 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.172 -14.114 3.885 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.911 -14.485 5.101 1.00 0.00 O ATOM 0 H GLU A 72 4.377 -11.027 0.352 1.00 0.00 H new ATOM 0 HA GLU A 72 6.867 -11.020 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.630 -11.842 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.740 -13.200 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.892 -13.907 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.853 -12.515 3.665 1.00 0.00 H new ATOM 1133 N LYS A 73 6.431 -13.253 -0.643 1.00 0.00 N ATOM 1134 CA LYS A 73 7.175 -14.158 -1.509 1.00 0.00 C ATOM 1135 C LYS A 73 8.253 -13.399 -2.282 1.00 0.00 C ATOM 1136 O LYS A 73 9.368 -13.895 -2.454 1.00 0.00 O ATOM 1137 CB LYS A 73 6.216 -14.850 -2.489 1.00 0.00 C ATOM 1138 CG LYS A 73 6.905 -16.061 -3.124 1.00 0.00 C ATOM 1139 CD LYS A 73 5.902 -16.830 -3.998 1.00 0.00 C ATOM 1140 CE LYS A 73 6.589 -18.042 -4.642 1.00 0.00 C ATOM 1141 NZ LYS A 73 5.611 -18.782 -5.493 1.00 0.00 N ATOM 0 H LYS A 73 5.431 -13.198 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 73 7.660 -14.911 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.314 -15.167 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.906 -14.149 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.752 -15.734 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.301 -16.715 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.057 -17.159 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.503 -16.174 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.435 -17.714 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.985 -18.701 -3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.080 -19.602 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.817 -19.108 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.254 -18.152 -6.239 1.00 0.00 H new ATOM 1155 N LEU A 74 7.912 -12.206 -2.759 1.00 0.00 N ATOM 1156 CA LEU A 74 8.849 -11.398 -3.532 1.00 0.00 C ATOM 1157 C LEU A 74 9.871 -10.652 -2.667 1.00 0.00 C ATOM 1158 O LEU A 74 11.044 -10.583 -3.030 1.00 0.00 O ATOM 1159 CB LEU A 74 8.074 -10.385 -4.374 1.00 0.00 C ATOM 1160 CG LEU A 74 7.280 -11.107 -5.476 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.350 -10.105 -6.170 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.234 -11.731 -6.519 1.00 0.00 C ATOM 0 H LEU A 74 6.996 -11.778 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 74 9.409 -12.089 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.394 -9.817 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.764 -9.670 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 74 6.695 -11.905 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.786 -10.613 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.659 -9.683 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.943 -9.305 -6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.651 -12.236 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.836 -10.946 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.889 -12.451 -6.028 1.00 0.00 H new ATOM 1174 N ALA A 75 9.429 -10.053 -1.555 1.00 0.00 N ATOM 1175 CA ALA A 75 10.344 -9.271 -0.700 1.00 0.00 C ATOM 1176 C ALA A 75 10.350 -9.732 0.752 1.00 0.00 C ATOM 1177 O ALA A 75 10.993 -9.094 1.588 1.00 0.00 O ATOM 1178 CB ALA A 75 9.947 -7.794 -0.744 1.00 0.00 C ATOM 0 H ALA A 75 8.464 -10.090 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 75 11.348 -9.424 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.623 -7.217 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.010 -7.431 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.926 -7.681 -0.381 1.00 0.00 H new ATOM 1184 N ASP A 76 9.668 -10.834 1.066 1.00 0.00 N ATOM 1185 CA ASP A 76 9.660 -11.331 2.447 1.00 0.00 C ATOM 1186 C ASP A 76 9.511 -10.162 3.423 1.00 0.00 C ATOM 1187 O ASP A 76 10.248 -10.045 4.403 1.00 0.00 O ATOM 1188 CB ASP A 76 10.961 -12.092 2.715 1.00 0.00 C ATOM 1189 CG ASP A 76 12.131 -11.120 2.815 1.00 0.00 C ATOM 1190 OD1 ASP A 76 12.663 -10.755 1.779 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.479 -10.755 3.926 1.00 0.00 O ATOM 0 H ASP A 76 9.126 -11.389 0.404 1.00 0.00 H new ATOM 0 HA ASP A 76 8.816 -12.005 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.873 -12.662 3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.142 -12.809 1.914 1.00 0.00 H new ATOM 1196 N CYS A 77 8.560 -9.290 3.113 1.00 0.00 N ATOM 1197 CA CYS A 77 8.307 -8.098 3.914 1.00 0.00 C ATOM 1198 C CYS A 77 7.964 -8.432 5.368 1.00 0.00 C ATOM 1199 O CYS A 77 8.204 -9.542 5.845 1.00 0.00 O ATOM 1200 CB CYS A 77 7.158 -7.306 3.280 1.00 0.00 C ATOM 1201 SG CYS A 77 7.292 -5.561 3.738 1.00 0.00 S ATOM 0 H CYS A 77 7.946 -9.387 2.305 1.00 0.00 H new ATOM 0 HA CYS A 77 9.221 -7.505 3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.187 -7.410 2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.201 -7.707 3.613 1.00 0.00 H new ATOM 0 HG CYS A 77 8.419 -5.359 4.354 1.00 0.00 H new ATOM 1207 N ALA A 78 7.392 -7.443 6.051 1.00 0.00 N ATOM 1208 CA ALA A 78 6.995 -7.592 7.444 1.00 0.00 C ATOM 1209 C ALA A 78 5.630 -8.272 7.537 1.00 0.00 C ATOM 1210 O ALA A 78 4.927 -8.414 6.535 1.00 0.00 O ATOM 1211 CB ALA A 78 6.930 -6.213 8.116 1.00 0.00 C ATOM 0 H ALA A 78 7.193 -6.524 5.656 1.00 0.00 H new ATOM 0 HA ALA A 78 7.733 -8.210 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.633 -6.330 9.158 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.910 -5.739 8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.201 -5.590 7.598 1.00 0.00 H new ATOM 1217 N GLN A 79 5.261 -8.694 8.744 1.00 0.00 N ATOM 1218 CA GLN A 79 3.977 -9.365 8.974 1.00 0.00 C ATOM 1219 C GLN A 79 3.204 -8.636 10.064 1.00 0.00 C ATOM 1220 O GLN A 79 2.951 -9.190 11.132 1.00 0.00 O ATOM 1221 CB GLN A 79 4.226 -10.813 9.406 1.00 0.00 C ATOM 1222 CG GLN A 79 5.346 -10.839 10.452 1.00 0.00 C ATOM 1223 CD GLN A 79 5.570 -12.261 10.944 1.00 0.00 C ATOM 1224 OE1 GLN A 79 5.634 -13.193 10.144 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.699 -12.484 12.223 1.00 0.00 N ATOM 0 H GLN A 79 5.832 -8.584 9.582 1.00 0.00 H new ATOM 0 HA GLN A 79 3.396 -9.355 8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.314 -11.244 9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.502 -11.420 8.544 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.267 -10.446 10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.086 -10.193 11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.645 -11.709 12.884 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.853 -13.433 12.562 1.00 0.00 H new ATOM 1234 N LEU A 80 2.851 -7.377 9.803 1.00 0.00 N ATOM 1235 CA LEU A 80 2.126 -6.574 10.788 1.00 0.00 C ATOM 1236 C LEU A 80 0.614 -6.592 10.531 1.00 0.00 C ATOM 1237 O LEU A 80 -0.170 -6.326 11.443 1.00 0.00 O ATOM 1238 CB LEU A 80 2.606 -5.113 10.730 1.00 0.00 C ATOM 1239 CG LEU A 80 4.107 -5.038 10.444 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.532 -3.573 10.455 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.895 -5.801 11.507 1.00 0.00 C ATOM 0 H LEU A 80 3.053 -6.895 8.927 1.00 0.00 H new ATOM 0 HA LEU A 80 2.325 -7.008 11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.058 -4.577 9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.388 -4.617 11.676 1.00 0.00 H new ATOM 0 HG LEU A 80 4.311 -5.488 9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.601 -3.503 10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.981 -3.028 9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.319 -3.140 11.432 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.960 -5.736 11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.700 -5.365 12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.587 -6.847 11.507 1.00 0.00 H new ATOM 1253 N LEU A 81 0.203 -6.879 9.287 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.234 -6.890 8.938 1.00 0.00 C ATOM 1255 C LEU A 81 -1.722 -8.284 8.549 1.00 0.00 C ATOM 1256 O LEU A 81 -1.057 -9.009 7.809 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.504 -5.951 7.755 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.751 -4.636 7.937 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.028 -3.713 6.748 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.210 -3.946 9.215 1.00 0.00 C ATOM 0 H LEU A 81 0.830 -7.104 8.514 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.770 -6.560 9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.195 -6.429 6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.573 -5.757 7.673 1.00 0.00 H new ATOM 0 HG LEU A 81 0.316 -4.849 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.489 -2.775 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.696 -4.195 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.097 -3.511 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.668 -3.008 9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.279 -3.742 9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.012 -4.594 10.069 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.905 -8.633 9.050 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.528 -9.928 8.756 1.00 0.00 C ATOM 1274 C GLU A 82 -4.768 -9.725 7.894 1.00 0.00 C ATOM 1275 O GLU A 82 -5.535 -8.785 8.102 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.905 -10.636 10.054 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.624 -11.049 10.780 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.965 -11.698 12.114 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.143 -11.833 12.399 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.044 -12.051 12.830 1.00 0.00 O ATOM 0 H GLU A 82 -3.457 -8.035 9.665 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.815 -10.547 8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.500 -9.976 10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.518 -11.512 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.055 -11.745 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.991 -10.176 10.942 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.946 -10.602 6.916 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.070 -10.511 5.995 1.00 0.00 C ATOM 1289 C VAL A 83 -7.406 -10.552 6.732 1.00 0.00 C ATOM 1290 O VAL A 83 -8.272 -9.705 6.514 1.00 0.00 O ATOM 1291 CB VAL A 83 -5.984 -11.709 5.041 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.246 -11.795 4.165 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.726 -11.584 4.167 1.00 0.00 C ATOM 0 H VAL A 83 -4.322 -11.389 6.739 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.019 -9.564 5.458 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.918 -12.625 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.166 -12.651 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.123 -11.913 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.344 -10.882 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.667 -12.436 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.776 -10.663 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.841 -11.564 4.803 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.573 -11.550 7.579 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.817 -11.712 8.317 1.00 0.00 C ATOM 1305 C ASP A 84 -9.164 -10.444 9.088 1.00 0.00 C ATOM 1306 O ASP A 84 -10.310 -9.998 9.081 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.682 -12.879 9.291 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.631 -14.192 8.515 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -8.954 -14.174 7.340 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.267 -15.194 9.108 1.00 0.00 O ATOM 0 H ASP A 84 -6.867 -12.260 7.775 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.617 -11.912 7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.778 -12.763 9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.524 -12.887 9.983 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.178 -9.865 9.752 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.407 -8.648 10.518 1.00 0.00 C ATOM 1317 C ASP A 85 -8.811 -7.501 9.593 1.00 0.00 C ATOM 1318 O ASP A 85 -9.722 -6.733 9.898 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.129 -8.270 11.278 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.013 -9.100 12.551 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.931 -9.051 13.354 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -6.008 -9.774 12.705 1.00 0.00 O ATOM 0 H ASP A 85 -7.219 -10.212 9.778 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.216 -8.828 11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.257 -8.437 10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.145 -7.209 11.526 1.00 0.00 H new ATOM 1327 N MET A 86 -8.131 -7.396 8.465 1.00 0.00 N ATOM 1328 CA MET A 86 -8.425 -6.341 7.511 1.00 0.00 C ATOM 1329 C MET A 86 -9.847 -6.502 7.001 1.00 0.00 C ATOM 1330 O MET A 86 -10.593 -5.533 6.870 1.00 0.00 O ATOM 1331 CB MET A 86 -7.456 -6.442 6.325 1.00 0.00 C ATOM 1332 CG MET A 86 -6.036 -5.947 6.716 1.00 0.00 C ATOM 1333 SD MET A 86 -5.327 -4.980 5.364 1.00 0.00 S ATOM 1334 CE MET A 86 -6.019 -3.389 5.865 1.00 0.00 C ATOM 0 H MET A 86 -7.376 -8.024 8.188 1.00 0.00 H new ATOM 0 HA MET A 86 -8.315 -5.372 7.998 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.402 -7.476 5.983 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.834 -5.850 5.492 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.089 -5.340 7.620 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.394 -6.799 6.941 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.988 -2.697 5.023 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.052 -3.526 6.184 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.435 -2.982 6.691 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.203 -7.741 6.722 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.526 -8.059 6.224 1.00 0.00 C ATOM 1346 C VAL A 87 -12.590 -7.744 7.266 1.00 0.00 C ATOM 1347 O VAL A 87 -13.625 -7.158 6.947 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.582 -9.546 5.863 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -13.020 -9.954 5.530 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.676 -9.810 4.654 1.00 0.00 C ATOM 0 H VAL A 87 -9.589 -8.548 6.833 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.724 -7.452 5.341 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.238 -10.134 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.048 -11.013 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.659 -9.772 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.378 -9.367 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.714 -10.868 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.018 -9.216 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.651 -9.533 4.900 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.335 -8.134 8.512 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.286 -7.895 9.588 1.00 0.00 C ATOM 1362 C ARG A 88 -13.332 -6.425 9.984 1.00 0.00 C ATOM 1363 O ARG A 88 -14.409 -5.841 10.124 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.879 -8.725 10.804 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.125 -10.206 10.506 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.753 -11.050 11.726 1.00 0.00 C ATOM 1367 NE ARG A 88 -11.308 -11.043 11.935 1.00 0.00 N ATOM 1368 CZ ARG A 88 -10.779 -11.475 13.076 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.214 -12.578 13.623 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -9.825 -10.794 13.649 1.00 0.00 N ATOM 0 H ARG A 88 -11.482 -8.614 8.798 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.277 -8.182 9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.828 -8.558 11.038 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.453 -8.417 11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.172 -10.365 10.248 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.534 -10.516 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.256 -10.661 12.611 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.101 -12.074 11.586 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.695 -10.702 11.195 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.961 -13.109 13.175 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.807 -12.908 14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.486 -9.932 13.222 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.418 -11.124 14.524 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.162 -5.831 10.174 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.089 -4.432 10.571 1.00 0.00 C ATOM 1386 C LEU A 89 -12.827 -3.559 9.563 1.00 0.00 C ATOM 1387 O LEU A 89 -13.756 -2.831 9.918 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.620 -3.990 10.633 1.00 0.00 C ATOM 1389 CG LEU A 89 -9.912 -4.631 11.842 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.395 -4.514 11.659 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.320 -3.920 13.145 1.00 0.00 C ATOM 0 H LEU A 89 -11.258 -6.291 10.061 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.552 -4.322 11.551 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.110 -4.275 9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.564 -2.904 10.706 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.204 -5.679 11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.890 -4.966 12.512 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.098 -5.030 10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.117 -3.462 11.588 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.811 -4.386 13.989 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.041 -2.868 13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.398 -4.002 13.282 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.372 -3.602 8.318 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.959 -2.774 7.279 1.00 0.00 C ATOM 1405 C ALA A 90 -12.653 -1.323 7.630 1.00 0.00 C ATOM 1406 O ALA A 90 -13.295 -0.390 7.148 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.478 -3.002 7.191 1.00 0.00 C ATOM 0 H ALA A 90 -11.604 -4.197 8.007 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.540 -3.030 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.896 -2.371 6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.676 -4.049 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.940 -2.748 8.145 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.642 -1.181 8.487 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.176 0.116 8.967 1.00 0.00 C ATOM 1415 C VAL A 91 -9.764 -0.035 9.552 1.00 0.00 C ATOM 1416 O VAL A 91 -9.616 -0.270 10.753 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.116 0.651 10.063 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.512 1.915 10.699 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.490 0.992 9.460 1.00 0.00 C ATOM 0 H VAL A 91 -11.121 -1.970 8.869 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.165 0.816 8.131 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.238 -0.118 10.826 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.182 2.288 11.473 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.545 1.674 11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.380 2.680 9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.147 1.369 10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.370 1.753 8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.927 0.095 9.020 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.729 0.087 8.754 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.333 -0.044 9.252 1.00 0.00 C ATOM 1431 C PRO A 92 -6.919 1.171 10.079 1.00 0.00 C ATOM 1432 O PRO A 92 -7.730 2.056 10.346 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.465 -0.190 7.979 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.414 -0.155 6.806 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.765 0.362 7.316 1.00 0.00 C ATOM 0 HA PRO A 92 -7.218 -0.899 9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.736 0.617 7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.905 -1.125 7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.028 0.494 6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.524 -1.149 6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.886 1.427 7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.597 -0.150 6.832 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.650 1.200 10.470 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.115 2.308 11.262 1.00 0.00 C ATOM 1445 C ASP A 93 -3.915 2.931 10.558 1.00 0.00 C ATOM 1446 O ASP A 93 -3.002 2.235 10.114 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.712 1.816 12.650 1.00 0.00 C ATOM 1448 CG ASP A 93 -4.398 3.005 13.551 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -4.372 4.114 13.043 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -4.187 2.789 14.731 1.00 0.00 O ATOM 0 H ASP A 93 -4.971 0.471 10.253 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.890 3.067 11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.517 1.223 13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.841 1.165 12.576 1.00 0.00 H new ATOM 1455 N SER A 94 -3.945 4.250 10.443 1.00 0.00 N ATOM 1456 CA SER A 94 -2.877 4.981 9.770 1.00 0.00 C ATOM 1457 C SER A 94 -1.514 4.544 10.275 1.00 0.00 C ATOM 1458 O SER A 94 -0.534 4.545 9.530 1.00 0.00 O ATOM 1459 CB SER A 94 -3.048 6.482 9.999 1.00 0.00 C ATOM 1460 OG SER A 94 -2.962 6.754 11.393 1.00 0.00 O ATOM 0 H SER A 94 -4.696 4.838 10.806 1.00 0.00 H new ATOM 0 HA SER A 94 -2.938 4.763 8.704 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.278 7.034 9.460 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.010 6.814 9.610 1.00 0.00 H new ATOM 0 HG SER A 94 -3.069 7.716 11.546 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.462 4.159 11.536 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.218 3.701 12.128 1.00 0.00 C ATOM 1468 C LYS A 95 0.172 2.342 11.575 1.00 0.00 C ATOM 1469 O LYS A 95 1.345 2.084 11.312 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.362 3.600 13.642 1.00 0.00 C ATOM 1471 CG LYS A 95 1.030 3.535 14.306 1.00 0.00 C ATOM 1472 CD LYS A 95 1.585 4.950 14.522 1.00 0.00 C ATOM 1473 CE LYS A 95 2.886 4.874 15.315 1.00 0.00 C ATOM 1474 NZ LYS A 95 3.894 4.092 14.546 1.00 0.00 N ATOM 0 H LYS A 95 -2.262 4.154 12.168 1.00 0.00 H new ATOM 0 HA LYS A 95 0.559 4.424 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.914 4.460 14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.939 2.712 13.901 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.961 3.015 15.261 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.713 2.961 13.679 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.761 5.433 13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.857 5.560 15.057 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.263 5.878 15.512 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.707 4.405 16.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.841 4.263 14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.670 3.078 14.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.876 4.388 13.549 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.818 1.470 11.415 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.560 0.136 10.911 1.00 0.00 C ATOM 1490 C CYS A 96 -0.079 0.189 9.465 1.00 0.00 C ATOM 1491 O CYS A 96 0.916 -0.445 9.103 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.833 -0.717 11.021 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.937 -0.412 9.615 1.00 0.00 S ATOM 0 H CYS A 96 -1.797 1.665 11.626 1.00 0.00 H new ATOM 0 HA CYS A 96 0.227 -0.319 11.513 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.566 -1.773 11.057 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.351 -0.487 11.952 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.222 0.855 9.554 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.794 0.956 8.649 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.445 1.109 7.250 1.00 0.00 C ATOM 1501 C VAL A 97 0.900 1.791 7.148 1.00 0.00 C ATOM 1502 O VAL A 97 1.761 1.388 6.370 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.495 1.965 6.534 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.082 2.170 5.076 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.859 1.270 6.599 1.00 0.00 C ATOM 0 H VAL A 97 -1.620 1.481 8.938 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.406 0.125 6.782 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.567 2.936 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.830 2.779 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.117 2.675 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.005 1.202 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.603 1.881 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.795 0.296 6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.151 1.137 7.641 1.00 0.00 H new ATOM 1515 N TYR A 98 1.074 2.828 7.953 1.00 0.00 N ATOM 1516 CA TYR A 98 2.317 3.570 7.964 1.00 0.00 C ATOM 1517 C TYR A 98 3.470 2.654 8.330 1.00 0.00 C ATOM 1518 O TYR A 98 4.480 2.609 7.633 1.00 0.00 O ATOM 1519 CB TYR A 98 2.220 4.702 8.991 1.00 0.00 C ATOM 1520 CG TYR A 98 3.558 5.385 9.120 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.545 4.826 9.941 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.813 6.567 8.422 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.792 5.451 10.061 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.061 7.195 8.543 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.049 6.636 9.361 1.00 0.00 C ATOM 1526 OH TYR A 98 7.279 7.250 9.479 1.00 0.00 O ATOM 0 H TYR A 98 0.369 3.171 8.605 1.00 0.00 H new ATOM 0 HA TYR A 98 2.495 3.984 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.461 5.422 8.683 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.909 4.304 9.957 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.344 3.913 10.482 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.050 6.997 7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.555 5.020 10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.260 8.110 8.005 1.00 0.00 H new ATOM 0 HH TYR A 98 7.294 8.061 8.928 1.00 0.00 H new ATOM 1536 N THR A 99 3.309 1.925 9.427 1.00 0.00 N ATOM 1537 CA THR A 99 4.351 1.020 9.875 1.00 0.00 C ATOM 1538 C THR A 99 4.668 0.013 8.782 1.00 0.00 C ATOM 1539 O THR A 99 5.836 -0.255 8.495 1.00 0.00 O ATOM 1540 CB THR A 99 3.906 0.283 11.140 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.406 1.220 12.082 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.096 -0.462 11.742 1.00 0.00 C ATOM 0 H THR A 99 2.476 1.944 10.015 1.00 0.00 H new ATOM 0 HA THR A 99 5.245 1.602 10.100 1.00 0.00 H new ATOM 0 HB THR A 99 3.122 -0.431 10.888 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.438 1.316 11.966 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.779 -0.987 12.643 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.478 -1.182 11.018 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.881 0.250 11.995 1.00 0.00 H new ATOM 1550 N TYR A 100 3.630 -0.531 8.162 1.00 0.00 N ATOM 1551 CA TYR A 100 3.813 -1.498 7.090 1.00 0.00 C ATOM 1552 C TYR A 100 4.556 -0.854 5.928 1.00 0.00 C ATOM 1553 O TYR A 100 5.538 -1.395 5.418 1.00 0.00 O ATOM 1554 CB TYR A 100 2.442 -1.944 6.601 1.00 0.00 C ATOM 1555 CG TYR A 100 2.605 -3.092 5.642 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.764 -2.844 4.276 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.586 -4.403 6.119 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.904 -3.913 3.383 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.727 -5.473 5.229 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.884 -5.228 3.861 1.00 0.00 C ATOM 1561 OH TYR A 100 3.024 -6.283 2.982 1.00 0.00 O ATOM 0 H TYR A 100 2.657 -0.320 8.382 1.00 0.00 H new ATOM 0 HA TYR A 100 4.388 -2.346 7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.823 -2.246 7.446 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.931 -1.115 6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.779 -1.828 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.462 -4.592 7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.027 -3.723 2.327 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.715 -6.488 5.598 1.00 0.00 H new ATOM 0 HH TYR A 100 3.228 -7.101 3.482 1.00 0.00 H new ATOM 1571 N ILE A 101 4.062 0.311 5.522 1.00 0.00 N ATOM 1572 CA ILE A 101 4.654 1.058 4.422 1.00 0.00 C ATOM 1573 C ILE A 101 6.091 1.412 4.783 1.00 0.00 C ATOM 1574 O ILE A 101 6.999 1.324 3.957 1.00 0.00 O ATOM 1575 CB ILE A 101 3.838 2.340 4.163 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.439 1.981 3.602 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.584 3.251 3.177 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.484 1.717 2.086 1.00 0.00 C ATOM 0 H ILE A 101 3.248 0.759 5.942 1.00 0.00 H new ATOM 0 HA ILE A 101 4.646 0.453 3.516 1.00 0.00 H new ATOM 0 HB ILE A 101 3.711 2.871 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.057 1.098 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.744 2.795 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.999 4.154 3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.553 3.523 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.730 2.724 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.484 1.468 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.841 2.609 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.159 0.886 1.881 1.00 0.00 H new ATOM 1590 N GLN A 102 6.281 1.807 6.037 1.00 0.00 N ATOM 1591 CA GLN A 102 7.602 2.175 6.534 1.00 0.00 C ATOM 1592 C GLN A 102 8.616 1.081 6.223 1.00 0.00 C ATOM 1593 O GLN A 102 9.601 1.307 5.519 1.00 0.00 O ATOM 1594 CB GLN A 102 7.550 2.366 8.052 1.00 0.00 C ATOM 1595 CG GLN A 102 8.792 3.131 8.514 1.00 0.00 C ATOM 1596 CD GLN A 102 8.756 3.319 10.025 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.755 3.006 10.668 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.794 3.828 10.631 1.00 0.00 N ATOM 0 H GLN A 102 5.536 1.881 6.729 1.00 0.00 H new ATOM 0 HA GLN A 102 7.902 3.101 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.649 2.913 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.501 1.397 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.692 2.586 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.836 4.101 8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.622 4.086 10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.777 3.968 11.641 1.00 0.00 H new ATOM 1607 N GLU A 103 8.374 -0.103 6.773 1.00 0.00 N ATOM 1608 CA GLU A 103 9.285 -1.214 6.564 1.00 0.00 C ATOM 1609 C GLU A 103 9.407 -1.502 5.074 1.00 0.00 C ATOM 1610 O GLU A 103 10.506 -1.697 4.550 1.00 0.00 O ATOM 1611 CB GLU A 103 8.773 -2.455 7.313 1.00 0.00 C ATOM 1612 CG GLU A 103 9.949 -3.372 7.665 1.00 0.00 C ATOM 1613 CD GLU A 103 10.636 -3.843 6.388 1.00 0.00 C ATOM 1614 OE1 GLU A 103 9.935 -4.155 5.441 1.00 0.00 O ATOM 1615 OE2 GLU A 103 11.856 -3.884 6.377 1.00 0.00 O ATOM 0 H GLU A 103 7.566 -0.314 7.358 1.00 0.00 H new ATOM 0 HA GLU A 103 10.270 -0.955 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.251 -2.153 8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.053 -2.992 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.660 -2.840 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.595 -4.230 8.236 1.00 0.00 H new ATOM 1622 N LEU A 104 8.267 -1.533 4.402 1.00 0.00 N ATOM 1623 CA LEU A 104 8.229 -1.806 2.975 1.00 0.00 C ATOM 1624 C LEU A 104 9.019 -0.755 2.214 1.00 0.00 C ATOM 1625 O LEU A 104 9.785 -1.074 1.311 1.00 0.00 O ATOM 1626 CB LEU A 104 6.773 -1.743 2.524 1.00 0.00 C ATOM 1627 CG LEU A 104 6.625 -2.113 1.042 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.870 -3.613 0.836 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.208 -1.757 0.587 1.00 0.00 C ATOM 0 H LEU A 104 7.353 -1.372 4.824 1.00 0.00 H new ATOM 0 HA LEU A 104 8.663 -2.786 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.174 -2.422 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.383 -0.739 2.690 1.00 0.00 H new ATOM 0 HG LEU A 104 7.359 -1.560 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.761 -3.858 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.878 -3.866 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.145 -4.183 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.088 -2.015 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.484 -2.314 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.041 -0.688 0.720 1.00 0.00 H new ATOM 1641 N TYR A 105 8.819 0.499 2.590 1.00 0.00 N ATOM 1642 CA TYR A 105 9.504 1.598 1.936 1.00 0.00 C ATOM 1643 C TYR A 105 10.993 1.351 1.950 1.00 0.00 C ATOM 1644 O TYR A 105 11.677 1.492 0.936 1.00 0.00 O ATOM 1645 CB TYR A 105 9.210 2.888 2.700 1.00 0.00 C ATOM 1646 CG TYR A 105 9.923 4.050 2.058 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.334 4.715 0.977 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.166 4.472 2.550 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.988 5.801 0.383 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.818 5.560 1.955 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.228 6.224 0.873 1.00 0.00 C ATOM 1652 OH TYR A 105 11.875 7.292 0.285 1.00 0.00 O ATOM 0 H TYR A 105 8.190 0.778 3.342 1.00 0.00 H new ATOM 0 HA TYR A 105 9.159 1.680 0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.136 3.074 2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.529 2.785 3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.375 4.391 0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.620 3.960 3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.535 6.312 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.776 5.887 2.331 1.00 0.00 H new ATOM 0 HH TYR A 105 12.723 7.455 0.747 1.00 0.00 H new ATOM 1662 N ARG A 106 11.485 1.009 3.121 1.00 0.00 N ATOM 1663 CA ARG A 106 12.890 0.772 3.300 1.00 0.00 C ATOM 1664 C ARG A 106 13.375 -0.364 2.400 1.00 0.00 C ATOM 1665 O ARG A 106 14.433 -0.253 1.785 1.00 0.00 O ATOM 1666 CB ARG A 106 13.167 0.450 4.771 1.00 0.00 C ATOM 1667 CG ARG A 106 14.609 0.799 5.090 1.00 0.00 C ATOM 1668 CD ARG A 106 14.987 0.254 6.465 1.00 0.00 C ATOM 1669 NE ARG A 106 14.232 0.950 7.507 1.00 0.00 N ATOM 1670 CZ ARG A 106 13.807 0.311 8.590 1.00 0.00 C ATOM 1671 NH1 ARG A 106 12.832 -0.549 8.494 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.371 0.537 9.745 1.00 0.00 N ATOM 0 H ARG A 106 10.924 0.890 3.965 1.00 0.00 H new ATOM 0 HA ARG A 106 13.438 1.671 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.492 1.015 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 106 12.983 -0.607 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.269 0.381 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 106 14.743 1.881 5.069 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.782 -0.816 6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.056 0.381 6.634 1.00 0.00 H new ATOM 0 HE ARG A 106 14.029 1.944 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.398 -0.729 7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.503 -1.042 9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.139 1.205 9.816 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.044 0.046 10.577 1.00 0.00 H new ATOM 1686 N SER A 107 12.609 -1.448 2.322 1.00 0.00 N ATOM 1687 CA SER A 107 13.003 -2.571 1.475 1.00 0.00 C ATOM 1688 C SER A 107 13.118 -2.113 0.019 1.00 0.00 C ATOM 1689 O SER A 107 14.001 -2.557 -0.718 1.00 0.00 O ATOM 1690 CB SER A 107 11.975 -3.700 1.581 1.00 0.00 C ATOM 1691 OG SER A 107 10.738 -3.264 1.033 1.00 0.00 O ATOM 0 H SER A 107 11.730 -1.573 2.823 1.00 0.00 H new ATOM 0 HA SER A 107 13.971 -2.940 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.331 -4.582 1.048 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.842 -3.989 2.623 1.00 0.00 H new ATOM 0 HG SER A 107 10.583 -2.328 1.279 1.00 0.00 H new ATOM 1697 N LEU A 108 12.220 -1.226 -0.389 1.00 0.00 N ATOM 1698 CA LEU A 108 12.231 -0.704 -1.753 1.00 0.00 C ATOM 1699 C LEU A 108 13.457 0.175 -1.991 1.00 0.00 C ATOM 1700 O LEU A 108 14.039 0.161 -3.076 1.00 0.00 O ATOM 1701 CB LEU A 108 10.992 0.152 -2.012 1.00 0.00 C ATOM 1702 CG LEU A 108 9.710 -0.687 -1.910 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.491 0.245 -1.923 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.609 -1.655 -3.093 1.00 0.00 C ATOM 0 H LEU A 108 11.476 -0.853 0.201 1.00 0.00 H new ATOM 0 HA LEU A 108 12.248 -1.563 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.954 0.969 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.058 0.602 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 108 9.738 -1.259 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.579 -0.348 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.547 0.929 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.480 0.816 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.695 -2.242 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.590 -1.090 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.471 -2.323 -3.091 1.00 0.00 H new ATOM 1716 N VAL A 109 13.813 0.976 -0.990 1.00 0.00 N ATOM 1717 CA VAL A 109 14.942 1.885 -1.123 1.00 0.00 C ATOM 1718 C VAL A 109 16.241 1.120 -1.329 1.00 0.00 C ATOM 1719 O VAL A 109 17.004 1.417 -2.250 1.00 0.00 O ATOM 1720 CB VAL A 109 15.033 2.770 0.126 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.378 3.505 0.153 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.899 3.797 0.102 1.00 0.00 C ATOM 0 H VAL A 109 13.340 1.013 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 109 14.785 2.512 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 109 14.949 2.143 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.433 4.131 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.190 2.778 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.469 4.130 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.961 4.428 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.988 4.416 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.940 3.280 0.091 1.00 0.00 H new ATOM 1732 N GLN A 110 16.491 0.132 -0.479 1.00 0.00 N ATOM 1733 CA GLN A 110 17.705 -0.657 -0.608 1.00 0.00 C ATOM 1734 C GLN A 110 17.697 -1.373 -1.947 1.00 0.00 C ATOM 1735 O GLN A 110 18.694 -1.377 -2.667 1.00 0.00 O ATOM 1736 CB GLN A 110 17.816 -1.673 0.536 1.00 0.00 C ATOM 1737 CG GLN A 110 16.538 -2.499 0.629 1.00 0.00 C ATOM 1738 CD GLN A 110 16.539 -3.354 1.894 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.869 -4.539 1.844 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.171 -2.828 3.030 1.00 0.00 N ATOM 0 H GLN A 110 15.881 -0.137 0.293 1.00 0.00 H new ATOM 0 HA GLN A 110 18.568 0.007 -0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.671 -2.329 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.992 -1.154 1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.671 -1.838 0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.448 -3.139 -0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.897 -1.846 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.157 -3.399 3.875 1.00 0.00 H new ATOM 1749 N LYS A 111 16.559 -1.972 -2.280 1.00 0.00 N ATOM 1750 CA LYS A 111 16.423 -2.686 -3.532 1.00 0.00 C ATOM 1751 C LYS A 111 16.700 -1.752 -4.706 1.00 0.00 C ATOM 1752 O LYS A 111 17.122 -2.194 -5.773 1.00 0.00 O ATOM 1753 CB LYS A 111 15.001 -3.263 -3.647 1.00 0.00 C ATOM 1754 CG LYS A 111 14.867 -4.536 -2.784 1.00 0.00 C ATOM 1755 CD LYS A 111 15.356 -5.774 -3.569 1.00 0.00 C ATOM 1756 CE LYS A 111 14.205 -6.358 -4.397 1.00 0.00 C ATOM 1757 NZ LYS A 111 14.741 -7.365 -5.352 1.00 0.00 N ATOM 0 H LYS A 111 15.722 -1.974 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 111 17.146 -3.501 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.272 -2.519 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.779 -3.497 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.448 -4.425 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.827 -4.674 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.182 -5.497 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.736 -6.526 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.469 -6.820 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.693 -5.563 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.960 -7.761 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.428 -6.910 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.210 -8.129 -4.824 1.00 0.00 H new ATOM 1771 N GLY A 112 16.443 -0.457 -4.507 1.00 0.00 N ATOM 1772 CA GLY A 112 16.649 0.530 -5.566 1.00 0.00 C ATOM 1773 C GLY A 112 15.390 0.632 -6.412 1.00 0.00 C ATOM 1774 O GLY A 112 15.403 1.160 -7.526 1.00 0.00 O ATOM 0 H GLY A 112 16.095 -0.071 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 112 16.889 1.501 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.496 0.241 -6.188 1.00 0.00 H new ATOM 1778 N LEU A 113 14.299 0.131 -5.848 1.00 0.00 N ATOM 1779 CA LEU A 113 12.998 0.158 -6.502 1.00 0.00 C ATOM 1780 C LEU A 113 12.406 1.568 -6.489 1.00 0.00 C ATOM 1781 O LEU A 113 11.864 2.040 -7.489 1.00 0.00 O ATOM 1782 CB LEU A 113 12.066 -0.814 -5.768 1.00 0.00 C ATOM 1783 CG LEU A 113 12.356 -2.264 -6.204 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.712 -3.227 -5.203 1.00 0.00 C ATOM 1785 CD2 LEU A 113 11.783 -2.530 -7.612 1.00 0.00 C ATOM 0 H LEU A 113 14.291 -0.305 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 113 13.111 -0.142 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.203 -0.716 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.027 -0.564 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 113 13.435 -2.417 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.913 -4.255 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.128 -3.053 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.635 -3.060 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.997 -3.558 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.704 -2.373 -7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.242 -1.847 -8.327 1.00 0.00 H new ATOM 1797 N VAL A 114 12.503 2.226 -5.339 1.00 0.00 N ATOM 1798 CA VAL A 114 11.961 3.576 -5.184 1.00 0.00 C ATOM 1799 C VAL A 114 12.674 4.566 -6.108 1.00 0.00 C ATOM 1800 O VAL A 114 12.046 5.465 -6.669 1.00 0.00 O ATOM 1801 CB VAL A 114 12.046 4.013 -3.693 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.270 5.528 -3.569 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.735 3.644 -2.963 1.00 0.00 C ATOM 0 H VAL A 114 12.949 1.851 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 114 10.911 3.570 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 114 12.891 3.493 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.325 5.803 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.202 5.800 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.442 6.058 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.800 3.952 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.897 4.153 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.581 2.566 -3.014 1.00 0.00 H new ATOM 1813 N LYS A 115 13.974 4.394 -6.266 1.00 0.00 N ATOM 1814 CA LYS A 115 14.760 5.276 -7.128 1.00 0.00 C ATOM 1815 C LYS A 115 14.745 4.759 -8.569 1.00 0.00 C ATOM 1816 O LYS A 115 15.791 4.459 -9.142 1.00 0.00 O ATOM 1817 CB LYS A 115 16.206 5.361 -6.615 1.00 0.00 C ATOM 1818 CG LYS A 115 16.230 6.095 -5.267 1.00 0.00 C ATOM 1819 CD LYS A 115 17.672 6.203 -4.759 1.00 0.00 C ATOM 1820 CE LYS A 115 17.713 7.030 -3.470 1.00 0.00 C ATOM 1821 NZ LYS A 115 16.992 6.308 -2.381 1.00 0.00 N ATOM 0 H LYS A 115 14.512 3.655 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 115 14.317 6.272 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.623 4.360 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.829 5.887 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.798 7.090 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.618 5.560 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.077 5.208 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.300 6.668 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.747 7.211 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.254 8.005 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.206 6.755 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.968 6.350 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.299 5.315 -2.361 1.00 0.00 H new ATOM 1835 N THR A 116 13.546 4.648 -9.143 1.00 0.00 N ATOM 1836 CA THR A 116 13.401 4.157 -10.509 1.00 0.00 C ATOM 1837 C THR A 116 13.860 5.190 -11.526 1.00 0.00 C ATOM 1838 O THR A 116 14.698 4.912 -12.383 1.00 0.00 O ATOM 1839 CB THR A 116 11.936 3.796 -10.777 1.00 0.00 C ATOM 1840 OG1 THR A 116 11.427 3.057 -9.675 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.831 2.946 -12.049 1.00 0.00 C ATOM 0 H THR A 116 12.668 4.890 -8.684 1.00 0.00 H new ATOM 0 HA THR A 116 14.030 3.273 -10.614 1.00 0.00 H new ATOM 0 HB THR A 116 11.359 4.711 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.169 2.775 -9.099 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.787 2.693 -12.233 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.223 3.509 -12.896 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.409 2.030 -11.924 1.00 0.00 H new ATOM 1849 N LYS A 117 13.295 6.385 -11.429 1.00 0.00 N ATOM 1850 CA LYS A 117 13.633 7.477 -12.346 1.00 0.00 C ATOM 1851 C LYS A 117 13.607 8.823 -11.631 1.00 0.00 C ATOM 1852 O LYS A 117 12.780 9.052 -10.747 1.00 0.00 O ATOM 1853 CB LYS A 117 12.644 7.501 -13.519 1.00 0.00 C ATOM 1854 CG LYS A 117 12.870 6.275 -14.407 1.00 0.00 C ATOM 1855 CD LYS A 117 11.897 6.317 -15.586 1.00 0.00 C ATOM 1856 CE LYS A 117 12.143 5.112 -16.493 1.00 0.00 C ATOM 1857 NZ LYS A 117 11.197 5.155 -17.643 1.00 0.00 N ATOM 0 H LYS A 117 12.598 6.628 -10.725 1.00 0.00 H new ATOM 0 HA LYS A 117 14.642 7.303 -12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.620 7.507 -13.145 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.776 8.413 -14.101 1.00 0.00 H new ATOM 0 HG2 LYS A 117 13.898 6.259 -14.770 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.721 5.362 -13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.869 6.309 -15.223 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.029 7.242 -16.148 1.00 0.00 H new ATOM 0 HE2 LYS A 117 13.172 5.119 -16.854 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.008 4.187 -15.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.364 4.335 -18.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.219 5.129 -17.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.346 6.031 -18.183 1.00 0.00 H new ATOM 1871 N LYS A 118 14.507 9.722 -12.030 1.00 0.00 N ATOM 1872 CA LYS A 118 14.564 11.049 -11.429 1.00 0.00 C ATOM 1873 C LYS A 118 13.384 11.873 -11.916 1.00 0.00 C ATOM 1874 O LYS A 118 12.890 11.644 -13.020 1.00 0.00 O ATOM 1875 CB LYS A 118 15.870 11.748 -11.821 1.00 0.00 C ATOM 1876 CG LYS A 118 17.056 11.033 -11.164 1.00 0.00 C ATOM 1877 CD LYS A 118 18.372 11.573 -11.736 1.00 0.00 C ATOM 1878 CE LYS A 118 18.580 13.027 -11.302 1.00 0.00 C ATOM 1879 NZ LYS A 118 20.000 13.417 -11.539 1.00 0.00 N ATOM 0 H LYS A 118 15.199 9.555 -12.760 1.00 0.00 H new ATOM 0 HA LYS A 118 14.524 10.952 -10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 118 15.985 11.743 -12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.843 12.792 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 118 17.030 11.183 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 118 16.987 9.959 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 118 19.205 10.960 -11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 118 18.358 11.509 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.913 13.684 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.331 13.142 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 20.143 14.404 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 20.627 12.797 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 20.222 13.322 -12.551 1.00 0.00 H new ATOM 1893 N LYS A 119 12.936 12.826 -11.091 1.00 0.00 N ATOM 1894 CA LYS A 119 11.798 13.682 -11.450 1.00 0.00 C ATOM 1895 C LYS A 119 10.781 12.920 -12.302 1.00 0.00 C ATOM 1896 O LYS A 119 10.538 11.764 -12.001 1.00 0.00 O ATOM 1897 CB LYS A 119 12.276 14.924 -12.209 1.00 0.00 C ATOM 1898 CG LYS A 119 13.098 14.506 -13.430 1.00 0.00 C ATOM 1899 CD LYS A 119 13.396 15.734 -14.288 1.00 0.00 C ATOM 1900 CE LYS A 119 14.158 15.310 -15.545 1.00 0.00 C ATOM 1901 NZ LYS A 119 15.461 14.702 -15.157 1.00 0.00 N ATOM 1902 OXT LYS A 119 10.258 13.505 -13.236 1.00 0.00 O ATOM 0 H LYS A 119 13.340 13.024 -10.176 1.00 0.00 H new ATOM 0 HA LYS A 119 11.314 13.992 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.419 15.520 -12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 119 12.878 15.552 -11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 119 14.029 14.037 -13.112 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.551 13.765 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.466 16.231 -14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.985 16.453 -13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.567 14.595 -16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.325 16.173 -16.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.099 14.694 -15.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 15.890 15.260 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 15.306 13.727 -14.830 1.00 0.00 H new TER 1916 LYS A 119