USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=31 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 20 TYR OH : rot -142:sc= -3.47! USER MOD Set 1.2: A 43 HIS : no HD1:sc= -2.12! C(o=-5.6!,f=-17!) USER MOD Set 2.1: A 39 CYS SG : rot 83:sc= -6.03! USER MOD Set 2.2: A 63 ASN : amide:sc= -8.61! C(o=-15!,f=-15!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -3.23! C(o=-5.4!,f=-12!) USER MOD Set 3.2: A 36 MET CE :methyl 146:sc= -0.209 (180deg=0) USER MOD Set 3.3: A 52 TYR OH : rot 15:sc= -1.91 USER MOD Single : A 1 GLY N :NH3+ -111:sc= -0.632 (180deg=-2.45!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.0574 (180deg=-0.478) USER MOD Single : A 7 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.31) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -4.32! USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 67:sc= -1.5! USER MOD Single : A 19 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 27 ASN : amide:sc= -0.255 K(o=-0.25,f=-0.77) USER MOD Single : A 29 SER OG : rot 89:sc= 0.202 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -100:sc= 0.0518 USER MOD Single : A 33 SER OG : rot 78:sc= 0.045 USER MOD Single : A 34 SER OG : rot -170:sc=-0.00717 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.0377 (180deg=-0.404) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 65 THR OG1 : rot 83:sc= -1.77! USER MOD Single : A 69 SER OG : rot -170:sc=-0.00316 USER MOD Single : A 70 THR OG1 : rot 99:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ -137:sc= -0.854 (180deg=-1.02) USER MOD Single : A 77 CYS SG : rot -103:sc= 0.454 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 86 MET CE :methyl -174:sc= -0.236 (180deg=-0.244) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.0789 USER MOD Single : A 98 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 THR OG1 : rot 87:sc= 0.636 USER MOD Single : A 100 TYR OH : rot 165:sc= -0.014 USER MOD Single : A 102 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.033) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -51:sc= 0.676 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 61:sc= 0.931 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+ -121:sc= -1.21 (180deg=-3.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.963 17.845 9.778 1.00 0.00 N ATOM 2 CA GLY A 1 8.911 18.724 10.362 1.00 0.00 C ATOM 3 C GLY A 1 8.147 19.417 9.237 1.00 0.00 C ATOM 4 O GLY A 1 6.995 19.083 8.961 1.00 0.00 O ATOM 0 H1 GLY A 1 9.712 16.849 9.940 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.035 18.022 8.756 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.877 18.050 10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.226 18.134 10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.365 19.466 11.019 1.00 0.00 H new ATOM 10 N PRO A 2 8.766 20.368 8.587 1.00 0.00 N ATOM 11 CA PRO A 2 8.121 21.110 7.474 1.00 0.00 C ATOM 12 C PRO A 2 7.630 20.130 6.413 1.00 0.00 C ATOM 13 O PRO A 2 6.598 20.340 5.774 1.00 0.00 O ATOM 14 CB PRO A 2 9.235 22.031 6.910 1.00 0.00 C ATOM 15 CG PRO A 2 10.492 21.747 7.698 1.00 0.00 C ATOM 16 CD PRO A 2 10.129 20.823 8.862 1.00 0.00 C ATOM 0 HA PRO A 2 7.252 21.684 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.394 21.837 5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.951 23.079 7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.242 21.279 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.925 22.675 8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.819 19.981 8.925 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.182 21.351 9.814 1.00 0.00 H new ATOM 24 N LEU A 3 8.392 19.055 6.244 1.00 0.00 N ATOM 25 CA LEU A 3 8.058 18.034 5.268 1.00 0.00 C ATOM 26 C LEU A 3 6.998 17.081 5.818 1.00 0.00 C ATOM 27 O LEU A 3 5.916 16.946 5.247 1.00 0.00 O ATOM 28 CB LEU A 3 9.330 17.255 4.901 1.00 0.00 C ATOM 29 CG LEU A 3 10.419 18.240 4.436 1.00 0.00 C ATOM 30 CD1 LEU A 3 11.732 17.483 4.134 1.00 0.00 C ATOM 31 CD2 LEU A 3 9.938 18.973 3.171 1.00 0.00 C ATOM 0 H LEU A 3 9.245 18.871 6.772 1.00 0.00 H new ATOM 0 HA LEU A 3 7.649 18.513 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.682 16.687 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.114 16.536 4.111 1.00 0.00 H new ATOM 0 HG LEU A 3 10.607 18.964 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.493 18.191 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.074 16.974 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.556 16.749 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.707 19.671 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.743 18.247 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.023 19.521 3.394 1.00 0.00 H new ATOM 43 N GLY A 4 7.319 16.428 6.932 1.00 0.00 N ATOM 44 CA GLY A 4 6.389 15.487 7.558 1.00 0.00 C ATOM 45 C GLY A 4 6.463 14.126 6.880 1.00 0.00 C ATOM 46 O GLY A 4 6.330 14.021 5.662 1.00 0.00 O ATOM 0 H GLY A 4 8.210 16.531 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.625 15.385 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.373 15.876 7.494 1.00 0.00 H new ATOM 50 N SER A 5 6.681 13.089 7.682 1.00 0.00 N ATOM 51 CA SER A 5 6.779 11.733 7.154 1.00 0.00 C ATOM 52 C SER A 5 5.476 11.328 6.476 1.00 0.00 C ATOM 53 O SER A 5 5.448 11.032 5.283 1.00 0.00 O ATOM 54 CB SER A 5 7.083 10.758 8.290 1.00 0.00 C ATOM 55 OG SER A 5 8.326 11.104 8.884 1.00 0.00 O ATOM 0 H SER A 5 6.793 13.160 8.693 1.00 0.00 H new ATOM 0 HA SER A 5 7.584 11.704 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.289 10.791 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.120 9.737 7.909 1.00 0.00 H new ATOM 0 HG SER A 5 8.524 10.482 9.615 1.00 0.00 H new ATOM 61 N LYS A 6 4.398 11.318 7.246 1.00 0.00 N ATOM 62 CA LYS A 6 3.094 10.940 6.718 1.00 0.00 C ATOM 63 C LYS A 6 2.839 11.623 5.380 1.00 0.00 C ATOM 64 O LYS A 6 2.328 11.006 4.446 1.00 0.00 O ATOM 65 CB LYS A 6 2.004 11.341 7.714 1.00 0.00 C ATOM 66 CG LYS A 6 2.189 10.547 9.011 1.00 0.00 C ATOM 67 CD LYS A 6 1.096 10.932 10.018 1.00 0.00 C ATOM 68 CE LYS A 6 1.273 10.132 11.316 1.00 0.00 C ATOM 69 NZ LYS A 6 2.566 10.501 11.953 1.00 0.00 N ATOM 0 H LYS A 6 4.399 11.566 8.235 1.00 0.00 H new ATOM 0 HA LYS A 6 3.077 9.861 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.057 12.410 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.019 11.145 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.144 9.478 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.173 10.748 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.145 12.000 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.112 10.736 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.448 10.337 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.252 9.063 11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.550 10.226 12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.344 10.007 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.709 11.528 11.878 1.00 0.00 H new ATOM 83 N ASN A 7 3.203 12.896 5.292 1.00 0.00 N ATOM 84 CA ASN A 7 3.014 13.645 4.061 1.00 0.00 C ATOM 85 C ASN A 7 3.883 13.061 2.953 1.00 0.00 C ATOM 86 O ASN A 7 3.447 12.924 1.810 1.00 0.00 O ATOM 87 CB ASN A 7 3.383 15.113 4.282 1.00 0.00 C ATOM 88 CG ASN A 7 3.203 15.900 2.989 1.00 0.00 C ATOM 89 OD1 ASN A 7 4.112 15.952 2.161 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.074 16.514 2.764 1.00 0.00 N ATOM 0 H ASN A 7 3.627 13.426 6.053 1.00 0.00 H new ATOM 0 HA ASN A 7 1.967 13.577 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.757 15.539 5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.416 15.189 4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.943 17.039 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.323 16.469 3.453 1.00 0.00 H new ATOM 97 N MET A 8 5.113 12.713 3.310 1.00 0.00 N ATOM 98 CA MET A 8 6.047 12.141 2.350 1.00 0.00 C ATOM 99 C MET A 8 5.488 10.849 1.767 1.00 0.00 C ATOM 100 O MET A 8 5.465 10.659 0.551 1.00 0.00 O ATOM 101 CB MET A 8 7.382 11.859 3.057 1.00 0.00 C ATOM 102 CG MET A 8 8.407 11.294 2.069 1.00 0.00 C ATOM 103 SD MET A 8 8.754 12.516 0.780 1.00 0.00 S ATOM 104 CE MET A 8 9.479 11.372 -0.419 1.00 0.00 C ATOM 0 H MET A 8 5.486 12.817 4.254 1.00 0.00 H new ATOM 0 HA MET A 8 6.201 12.848 1.535 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.765 12.777 3.501 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.226 11.152 3.872 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.326 11.034 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.026 10.377 1.620 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.773 11.921 -1.314 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.356 10.894 0.018 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.746 10.611 -0.685 1.00 0.00 H new ATOM 114 N LEU A 9 5.031 9.968 2.651 1.00 0.00 N ATOM 115 CA LEU A 9 4.465 8.698 2.239 1.00 0.00 C ATOM 116 C LEU A 9 3.190 8.920 1.449 1.00 0.00 C ATOM 117 O LEU A 9 2.968 8.301 0.410 1.00 0.00 O ATOM 118 CB LEU A 9 4.146 7.872 3.479 1.00 0.00 C ATOM 119 CG LEU A 9 5.434 7.458 4.176 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.088 6.814 5.519 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.229 6.460 3.305 1.00 0.00 C ATOM 0 H LEU A 9 5.044 10.116 3.660 1.00 0.00 H new ATOM 0 HA LEU A 9 5.185 8.174 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.524 8.451 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.574 6.987 3.199 1.00 0.00 H new ATOM 0 HG LEU A 9 6.053 8.341 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.005 6.514 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.549 7.531 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.463 5.937 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.146 6.177 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.624 5.571 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.479 6.927 2.352 1.00 0.00 H new ATOM 133 N LEU A 10 2.348 9.807 1.961 1.00 0.00 N ATOM 134 CA LEU A 10 1.082 10.099 1.306 1.00 0.00 C ATOM 135 C LEU A 10 1.341 10.642 -0.092 1.00 0.00 C ATOM 136 O LEU A 10 0.741 10.197 -1.071 1.00 0.00 O ATOM 137 CB LEU A 10 0.271 11.114 2.148 1.00 0.00 C ATOM 138 CG LEU A 10 -1.039 11.499 1.435 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.863 10.237 1.137 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.854 12.456 2.332 1.00 0.00 C ATOM 0 H LEU A 10 2.516 10.332 2.819 1.00 0.00 H new ATOM 0 HA LEU A 10 0.499 9.182 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.046 10.685 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.870 12.008 2.324 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.803 11.998 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.788 10.517 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.288 9.570 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.099 9.728 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.781 12.728 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.087 11.961 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.271 13.356 2.529 1.00 0.00 H new ATOM 152 N GLU A 11 2.251 11.591 -0.170 1.00 0.00 N ATOM 153 CA GLU A 11 2.617 12.207 -1.442 1.00 0.00 C ATOM 154 C GLU A 11 3.086 11.143 -2.416 1.00 0.00 C ATOM 155 O GLU A 11 2.637 11.044 -3.559 1.00 0.00 O ATOM 156 CB GLU A 11 3.770 13.166 -1.182 1.00 0.00 C ATOM 157 CG GLU A 11 4.068 13.969 -2.440 1.00 0.00 C ATOM 158 CD GLU A 11 5.205 14.949 -2.176 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.869 14.794 -1.165 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.393 15.838 -2.987 1.00 0.00 O ATOM 0 H GLU A 11 2.758 11.959 0.635 1.00 0.00 H new ATOM 0 HA GLU A 11 1.757 12.727 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.518 13.838 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.656 12.609 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.338 13.297 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.176 14.510 -2.755 1.00 0.00 H new ATOM 167 N TRP A 12 4.006 10.366 -1.901 1.00 0.00 N ATOM 168 CA TRP A 12 4.639 9.271 -2.601 1.00 0.00 C ATOM 169 C TRP A 12 3.620 8.212 -3.026 1.00 0.00 C ATOM 170 O TRP A 12 3.421 7.979 -4.215 1.00 0.00 O ATOM 171 CB TRP A 12 5.632 8.726 -1.583 1.00 0.00 C ATOM 172 CG TRP A 12 6.390 7.542 -2.051 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.534 7.563 -2.765 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.107 6.157 -1.760 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.971 6.261 -2.939 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.115 5.356 -2.336 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.070 5.532 -1.059 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.098 3.967 -2.214 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.043 4.135 -0.932 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.057 3.353 -1.506 1.00 0.00 C ATOM 0 H TRP A 12 4.349 10.481 -0.947 1.00 0.00 H new ATOM 0 HA TRP A 12 5.119 9.581 -3.529 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.337 9.515 -1.321 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.094 8.463 -0.672 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.027 8.448 -3.139 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.817 6.002 -3.447 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.287 6.128 -0.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.880 3.371 -2.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.239 3.660 -0.390 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.035 2.278 -1.402 1.00 0.00 H new ATOM 191 N CYS A 13 2.965 7.593 -2.050 1.00 0.00 N ATOM 192 CA CYS A 13 1.958 6.567 -2.333 1.00 0.00 C ATOM 193 C CYS A 13 0.920 7.068 -3.345 1.00 0.00 C ATOM 194 O CYS A 13 0.559 6.364 -4.288 1.00 0.00 O ATOM 195 CB CYS A 13 1.266 6.187 -1.019 1.00 0.00 C ATOM 196 SG CYS A 13 0.699 4.474 -1.102 1.00 0.00 S ATOM 0 H CYS A 13 3.110 7.780 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 13 2.450 5.698 -2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.956 6.312 -0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.421 6.851 -0.836 1.00 0.00 H new ATOM 0 HG CYS A 13 0.115 4.156 0.015 1.00 0.00 H new ATOM 202 N ARG A 14 0.462 8.287 -3.123 1.00 0.00 N ATOM 203 CA ARG A 14 -0.539 8.907 -4.000 1.00 0.00 C ATOM 204 C ARG A 14 -0.012 8.980 -5.425 1.00 0.00 C ATOM 205 O ARG A 14 -0.713 8.684 -6.390 1.00 0.00 O ATOM 206 CB ARG A 14 -0.835 10.325 -3.525 1.00 0.00 C ATOM 207 CG ARG A 14 -1.963 10.930 -4.370 1.00 0.00 C ATOM 208 CD ARG A 14 -2.310 12.323 -3.841 1.00 0.00 C ATOM 209 NE ARG A 14 -3.483 12.852 -4.535 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.076 13.973 -4.132 1.00 0.00 C ATOM 211 NH1 ARG A 14 -4.872 13.954 -3.095 1.00 0.00 N ATOM 212 NH2 ARG A 14 -3.867 15.091 -4.770 1.00 0.00 N ATOM 0 H ARG A 14 0.762 8.875 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.446 8.303 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.122 10.314 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.062 10.940 -3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.656 10.993 -5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.842 10.287 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.504 12.274 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.463 12.994 -3.981 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.854 12.352 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.038 13.080 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.327 14.813 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.248 15.108 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.323 15.949 -4.459 1.00 0.00 H new ATOM 226 N ALA A 15 1.232 9.395 -5.538 1.00 0.00 N ATOM 227 CA ALA A 15 1.874 9.531 -6.842 1.00 0.00 C ATOM 228 C ALA A 15 1.764 8.242 -7.657 1.00 0.00 C ATOM 229 O ALA A 15 1.684 8.283 -8.884 1.00 0.00 O ATOM 230 CB ALA A 15 3.350 9.883 -6.656 1.00 0.00 C ATOM 0 H ALA A 15 1.825 9.646 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 15 1.363 10.326 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.826 9.984 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.434 10.824 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.844 9.093 -6.091 1.00 0.00 H new ATOM 236 N MET A 16 1.772 7.107 -6.971 1.00 0.00 N ATOM 237 CA MET A 16 1.683 5.808 -7.635 1.00 0.00 C ATOM 238 C MET A 16 0.225 5.392 -7.821 1.00 0.00 C ATOM 239 O MET A 16 -0.060 4.358 -8.419 1.00 0.00 O ATOM 240 CB MET A 16 2.434 4.771 -6.793 1.00 0.00 C ATOM 241 CG MET A 16 3.723 5.399 -6.239 1.00 0.00 C ATOM 242 SD MET A 16 4.576 6.331 -7.540 1.00 0.00 S ATOM 243 CE MET A 16 6.037 6.805 -6.577 1.00 0.00 C ATOM 0 H MET A 16 1.839 7.057 -5.954 1.00 0.00 H new ATOM 0 HA MET A 16 2.136 5.876 -8.624 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.803 4.426 -5.974 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.674 3.898 -7.400 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.485 6.059 -5.405 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.378 4.619 -5.851 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.707 7.397 -7.200 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.728 7.395 -5.714 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.555 5.908 -6.237 1.00 0.00 H new ATOM 253 N THR A 17 -0.694 6.207 -7.299 1.00 0.00 N ATOM 254 CA THR A 17 -2.125 5.922 -7.405 1.00 0.00 C ATOM 255 C THR A 17 -2.721 6.518 -8.676 1.00 0.00 C ATOM 256 O THR A 17 -3.831 6.169 -9.071 1.00 0.00 O ATOM 257 CB THR A 17 -2.858 6.497 -6.189 1.00 0.00 C ATOM 258 OG1 THR A 17 -2.356 5.900 -5.003 1.00 0.00 O ATOM 259 CG2 THR A 17 -4.356 6.212 -6.313 1.00 0.00 C ATOM 0 H THR A 17 -0.472 7.068 -6.799 1.00 0.00 H new ATOM 0 HA THR A 17 -2.248 4.840 -7.442 1.00 0.00 H new ATOM 0 HB THR A 17 -2.697 7.574 -6.146 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.428 6.181 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.877 6.621 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.741 6.676 -7.221 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.519 5.135 -6.359 1.00 0.00 H new ATOM 267 N ARG A 18 -1.976 7.404 -9.319 1.00 0.00 N ATOM 268 CA ARG A 18 -2.430 8.031 -10.555 1.00 0.00 C ATOM 269 C ARG A 18 -2.541 6.977 -11.656 1.00 0.00 C ATOM 270 O ARG A 18 -3.470 6.984 -12.466 1.00 0.00 O ATOM 271 CB ARG A 18 -1.412 9.096 -10.952 1.00 0.00 C ATOM 272 CG ARG A 18 -1.469 10.225 -9.924 1.00 0.00 C ATOM 273 CD ARG A 18 -0.384 11.251 -10.228 1.00 0.00 C ATOM 274 NE ARG A 18 -0.661 11.899 -11.500 1.00 0.00 N ATOM 275 CZ ARG A 18 0.215 12.727 -12.049 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.168 12.256 -12.805 1.00 0.00 N ATOM 277 NH2 ARG A 18 0.122 14.009 -11.832 1.00 0.00 N ATOM 0 H ARG A 18 -1.053 7.707 -9.007 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.410 8.487 -10.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.410 8.668 -10.990 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.633 9.479 -11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.449 10.701 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.332 9.823 -8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.341 11.995 -9.432 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.591 10.764 -10.262 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.543 11.713 -11.977 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.237 11.252 -12.972 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.844 12.892 -13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.625 14.373 -11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.796 14.648 -12.254 1.00 0.00 H new ATOM 291 N ASN A 19 -1.566 6.079 -11.654 1.00 0.00 N ATOM 292 CA ASN A 19 -1.508 4.994 -12.628 1.00 0.00 C ATOM 293 C ASN A 19 -2.692 4.059 -12.444 1.00 0.00 C ATOM 294 O ASN A 19 -3.250 3.538 -13.409 1.00 0.00 O ATOM 295 CB ASN A 19 -0.209 4.202 -12.457 1.00 0.00 C ATOM 296 CG ASN A 19 -0.168 3.045 -13.455 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.268 3.260 -14.662 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.027 1.823 -13.017 1.00 0.00 N ATOM 0 H ASN A 19 -0.797 6.080 -10.983 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.541 5.426 -13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.649 4.857 -12.611 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.139 3.818 -11.439 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.000 1.045 -13.676 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.056 1.646 -12.016 1.00 0.00 H new ATOM 305 N TYR A 20 -3.056 3.847 -11.186 1.00 0.00 N ATOM 306 CA TYR A 20 -4.162 2.969 -10.835 1.00 0.00 C ATOM 307 C TYR A 20 -5.466 3.748 -10.741 1.00 0.00 C ATOM 308 O TYR A 20 -5.467 4.944 -10.462 1.00 0.00 O ATOM 309 CB TYR A 20 -3.855 2.314 -9.490 1.00 0.00 C ATOM 310 CG TYR A 20 -2.769 1.282 -9.673 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.428 1.672 -9.676 1.00 0.00 C ATOM 312 CD2 TYR A 20 -3.108 -0.063 -9.835 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.420 0.714 -9.841 1.00 0.00 C ATOM 314 CE2 TYR A 20 -2.104 -1.024 -9.997 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.760 -0.635 -10.000 1.00 0.00 C ATOM 316 OH TYR A 20 0.229 -1.583 -10.155 1.00 0.00 O ATOM 0 H TYR A 20 -2.595 4.277 -10.384 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.277 2.211 -11.610 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.538 3.068 -8.769 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.753 1.846 -9.087 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.168 2.713 -9.551 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.146 -0.362 -9.835 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.617 1.015 -9.846 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.366 -2.065 -10.120 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.066 -2.261 -10.798 1.00 0.00 H new ATOM 326 N GLU A 21 -6.580 3.068 -10.998 1.00 0.00 N ATOM 327 CA GLU A 21 -7.898 3.710 -10.949 1.00 0.00 C ATOM 328 C GLU A 21 -8.781 3.038 -9.909 1.00 0.00 C ATOM 329 O GLU A 21 -8.411 2.011 -9.341 1.00 0.00 O ATOM 330 CB GLU A 21 -8.575 3.617 -12.311 1.00 0.00 C ATOM 331 CG GLU A 21 -8.528 2.171 -12.805 1.00 0.00 C ATOM 332 CD GLU A 21 -7.126 1.836 -13.299 1.00 0.00 C ATOM 333 OE1 GLU A 21 -6.509 2.705 -13.894 1.00 0.00 O ATOM 334 OE2 GLU A 21 -6.687 0.723 -13.068 1.00 0.00 O ATOM 0 H GLU A 21 -6.601 2.078 -11.241 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.757 4.756 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.609 3.955 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.074 4.273 -13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.811 1.493 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.250 2.029 -13.609 1.00 0.00 H new ATOM 341 N HIS A 22 -9.943 3.636 -9.658 1.00 0.00 N ATOM 342 CA HIS A 22 -10.873 3.100 -8.671 1.00 0.00 C ATOM 343 C HIS A 22 -10.199 3.124 -7.301 1.00 0.00 C ATOM 344 O HIS A 22 -10.749 2.673 -6.299 1.00 0.00 O ATOM 345 CB HIS A 22 -11.287 1.663 -9.075 1.00 0.00 C ATOM 346 CG HIS A 22 -12.385 1.145 -8.183 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.209 0.972 -6.825 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.665 0.719 -8.449 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.346 0.464 -6.324 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.269 0.288 -7.272 1.00 0.00 N ATOM 0 H HIS A 22 -10.261 4.487 -10.122 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.778 3.706 -8.626 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.623 1.656 -10.112 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.423 1.002 -9.015 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.365 1.191 -6.296 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.131 0.719 -9.423 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.496 0.227 -5.281 1.00 0.00 H new ATOM 358 N VAL A 23 -8.987 3.683 -7.274 1.00 0.00 N ATOM 359 CA VAL A 23 -8.206 3.789 -6.045 1.00 0.00 C ATOM 360 C VAL A 23 -7.771 5.236 -5.834 1.00 0.00 C ATOM 361 O VAL A 23 -7.190 5.857 -6.723 1.00 0.00 O ATOM 362 CB VAL A 23 -6.973 2.889 -6.172 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.042 3.086 -4.979 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.414 1.425 -6.247 1.00 0.00 C ATOM 0 H VAL A 23 -8.525 4.071 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.808 3.476 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.435 3.156 -7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.172 2.439 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.718 4.126 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.570 2.834 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.536 0.785 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.962 1.163 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.058 1.283 -7.115 1.00 0.00 H new ATOM 374 N ASP A 24 -8.054 5.761 -4.648 1.00 0.00 N ATOM 375 CA ASP A 24 -7.690 7.140 -4.305 1.00 0.00 C ATOM 376 C ASP A 24 -7.240 7.210 -2.851 1.00 0.00 C ATOM 377 O ASP A 24 -8.031 6.996 -1.936 1.00 0.00 O ATOM 378 CB ASP A 24 -8.886 8.070 -4.515 1.00 0.00 C ATOM 379 CG ASP A 24 -10.113 7.506 -3.808 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.640 6.511 -4.280 1.00 0.00 O ATOM 381 OD2 ASP A 24 -10.510 8.077 -2.806 1.00 0.00 O ATOM 0 H ASP A 24 -8.535 5.256 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.873 7.458 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.658 9.063 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.088 8.181 -5.580 1.00 0.00 H new ATOM 386 N ILE A 25 -5.953 7.470 -2.645 1.00 0.00 N ATOM 387 CA ILE A 25 -5.398 7.521 -1.291 1.00 0.00 C ATOM 388 C ILE A 25 -5.518 8.915 -0.667 1.00 0.00 C ATOM 389 O ILE A 25 -4.580 9.714 -0.687 1.00 0.00 O ATOM 390 CB ILE A 25 -3.941 7.053 -1.335 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.926 5.607 -1.851 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.339 7.103 0.073 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.493 5.156 -2.158 1.00 0.00 C ATOM 0 H ILE A 25 -5.278 7.648 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.977 6.854 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.354 7.698 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.369 4.945 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.537 5.530 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.302 6.769 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.378 8.125 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.908 6.450 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.505 4.129 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.062 5.806 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.892 5.212 -1.251 1.00 0.00 H new ATOM 405 N GLN A 26 -6.695 9.168 -0.085 1.00 0.00 N ATOM 406 CA GLN A 26 -6.987 10.438 0.592 1.00 0.00 C ATOM 407 C GLN A 26 -6.652 10.302 2.068 1.00 0.00 C ATOM 408 O GLN A 26 -6.348 11.279 2.756 1.00 0.00 O ATOM 409 CB GLN A 26 -8.469 10.795 0.430 1.00 0.00 C ATOM 410 CG GLN A 26 -8.731 12.179 1.026 1.00 0.00 C ATOM 411 CD GLN A 26 -10.207 12.531 0.885 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.000 11.704 0.433 1.00 0.00 O ATOM 413 NE2 GLN A 26 -10.627 13.712 1.246 1.00 0.00 N ATOM 0 H GLN A 26 -7.468 8.503 -0.069 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.385 11.231 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.743 10.784 -0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.090 10.050 0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.443 12.193 2.077 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.120 12.925 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.968 14.395 1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.614 13.952 1.154 1.00 0.00 H new ATOM 422 N ASN A 27 -6.694 9.064 2.539 1.00 0.00 N ATOM 423 CA ASN A 27 -6.381 8.748 3.920 1.00 0.00 C ATOM 424 C ASN A 27 -5.657 7.419 3.951 1.00 0.00 C ATOM 425 O ASN A 27 -5.360 6.840 2.902 1.00 0.00 O ATOM 426 CB ASN A 27 -7.659 8.664 4.769 1.00 0.00 C ATOM 427 CG ASN A 27 -8.383 10.008 4.768 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.786 11.037 5.085 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.642 10.062 4.425 1.00 0.00 N ATOM 0 H ASN A 27 -6.946 8.253 1.973 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.754 9.536 4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.316 7.889 4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.407 8.379 5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.131 10.957 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.136 9.209 4.162 1.00 0.00 H new ATOM 436 N PHE A 28 -5.362 6.930 5.142 1.00 0.00 N ATOM 437 CA PHE A 28 -4.661 5.659 5.272 1.00 0.00 C ATOM 438 C PHE A 28 -5.603 4.583 5.788 1.00 0.00 C ATOM 439 O PHE A 28 -5.285 3.394 5.768 1.00 0.00 O ATOM 440 CB PHE A 28 -3.484 5.828 6.229 1.00 0.00 C ATOM 441 CG PHE A 28 -2.365 6.566 5.531 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.312 7.964 5.574 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.389 5.850 4.832 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.279 8.642 4.921 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.357 6.528 4.176 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.302 7.924 4.222 1.00 0.00 C ATOM 0 H PHE A 28 -5.592 7.385 6.025 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.293 5.352 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.799 6.379 7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.134 4.853 6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.068 8.518 6.111 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.432 4.771 4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.235 9.721 4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.396 5.974 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.495 8.449 3.717 1.00 0.00 H new ATOM 456 N SER A 29 -6.755 5.019 6.276 1.00 0.00 N ATOM 457 CA SER A 29 -7.754 4.108 6.844 1.00 0.00 C ATOM 458 C SER A 29 -8.960 3.900 5.927 1.00 0.00 C ATOM 459 O SER A 29 -9.150 2.829 5.354 1.00 0.00 O ATOM 460 CB SER A 29 -8.240 4.687 8.169 1.00 0.00 C ATOM 461 OG SER A 29 -9.338 3.921 8.641 1.00 0.00 O ATOM 0 H SER A 29 -7.028 6.002 6.293 1.00 0.00 H new ATOM 0 HA SER A 29 -7.276 3.137 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.433 4.677 8.901 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.537 5.727 8.037 1.00 0.00 H new ATOM 0 HG SER A 29 -9.008 3.182 9.193 1.00 0.00 H new ATOM 467 N SER A 30 -9.777 4.930 5.814 1.00 0.00 N ATOM 468 CA SER A 30 -10.986 4.867 4.992 1.00 0.00 C ATOM 469 C SER A 30 -10.674 4.616 3.525 1.00 0.00 C ATOM 470 O SER A 30 -11.337 3.812 2.871 1.00 0.00 O ATOM 471 CB SER A 30 -11.763 6.175 5.109 1.00 0.00 C ATOM 472 OG SER A 30 -12.945 6.085 4.327 1.00 0.00 O ATOM 0 H SER A 30 -9.631 5.826 6.280 1.00 0.00 H new ATOM 0 HA SER A 30 -11.579 4.031 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.016 6.370 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.149 7.009 4.768 1.00 0.00 H new ATOM 0 HG SER A 30 -13.450 6.922 4.399 1.00 0.00 H new ATOM 478 N SER A 31 -9.684 5.315 3.002 1.00 0.00 N ATOM 479 CA SER A 31 -9.326 5.160 1.600 1.00 0.00 C ATOM 480 C SER A 31 -8.697 3.797 1.344 1.00 0.00 C ATOM 481 O SER A 31 -8.290 3.494 0.225 1.00 0.00 O ATOM 482 CB SER A 31 -8.365 6.267 1.192 1.00 0.00 C ATOM 483 OG SER A 31 -9.055 7.507 1.235 1.00 0.00 O ATOM 0 H SER A 31 -9.118 5.989 3.518 1.00 0.00 H new ATOM 0 HA SER A 31 -10.234 5.229 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.507 6.289 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.981 6.083 0.189 1.00 0.00 H new ATOM 0 HG SER A 31 -9.325 7.763 0.328 1.00 0.00 H new ATOM 489 N TRP A 32 -8.612 2.977 2.393 1.00 0.00 N ATOM 490 CA TRP A 32 -8.019 1.646 2.284 1.00 0.00 C ATOM 491 C TRP A 32 -9.055 0.544 2.519 1.00 0.00 C ATOM 492 O TRP A 32 -8.736 -0.640 2.426 1.00 0.00 O ATOM 493 CB TRP A 32 -6.919 1.536 3.327 1.00 0.00 C ATOM 494 CG TRP A 32 -5.766 2.367 2.912 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.790 3.710 2.800 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.427 1.941 2.558 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.545 4.137 2.386 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.667 3.082 2.233 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.809 0.687 2.487 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.331 2.981 1.853 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.465 0.580 2.101 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.727 1.726 1.787 1.00 0.00 C ATOM 0 H TRP A 32 -8.947 3.213 3.327 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.624 1.515 1.277 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.289 1.865 4.298 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.611 0.496 3.439 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.640 4.345 3.001 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.303 5.113 2.214 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.370 -0.203 2.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.766 3.869 1.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.998 -0.392 2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.691 1.639 1.494 1.00 0.00 H new ATOM 513 N SER A 33 -10.283 0.933 2.841 1.00 0.00 N ATOM 514 CA SER A 33 -11.335 -0.040 3.102 1.00 0.00 C ATOM 515 C SER A 33 -11.497 -1.009 1.934 1.00 0.00 C ATOM 516 O SER A 33 -11.845 -2.171 2.134 1.00 0.00 O ATOM 517 CB SER A 33 -12.657 0.682 3.349 1.00 0.00 C ATOM 518 OG SER A 33 -13.539 -0.178 4.055 1.00 0.00 O ATOM 0 H SER A 33 -10.573 1.907 2.927 1.00 0.00 H new ATOM 0 HA SER A 33 -11.053 -0.612 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.485 1.594 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.104 0.980 2.401 1.00 0.00 H new ATOM 0 HG SER A 33 -13.286 -0.201 5.001 1.00 0.00 H new ATOM 524 N SER A 34 -11.264 -0.529 0.717 1.00 0.00 N ATOM 525 CA SER A 34 -11.408 -1.373 -0.469 1.00 0.00 C ATOM 526 C SER A 34 -10.353 -2.472 -0.505 1.00 0.00 C ATOM 527 O SER A 34 -10.543 -3.502 -1.153 1.00 0.00 O ATOM 528 CB SER A 34 -11.267 -0.522 -1.727 1.00 0.00 C ATOM 529 OG SER A 34 -9.993 0.107 -1.724 1.00 0.00 O ATOM 0 H SER A 34 -10.977 0.431 0.524 1.00 0.00 H new ATOM 0 HA SER A 34 -12.394 -1.835 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.377 -1.144 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.057 0.229 -1.763 1.00 0.00 H new ATOM 0 HG SER A 34 -9.956 0.774 -2.441 1.00 0.00 H new ATOM 535 N GLY A 35 -9.223 -2.239 0.156 1.00 0.00 N ATOM 536 CA GLY A 35 -8.142 -3.218 0.147 1.00 0.00 C ATOM 537 C GLY A 35 -7.455 -3.176 -1.207 1.00 0.00 C ATOM 538 O GLY A 35 -6.371 -3.729 -1.398 1.00 0.00 O ATOM 0 H GLY A 35 -9.034 -1.395 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.427 -2.998 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.535 -4.216 0.340 1.00 0.00 H new ATOM 542 N MET A 36 -8.112 -2.493 -2.139 1.00 0.00 N ATOM 543 CA MET A 36 -7.602 -2.341 -3.488 1.00 0.00 C ATOM 544 C MET A 36 -6.323 -1.513 -3.481 1.00 0.00 C ATOM 545 O MET A 36 -5.574 -1.508 -4.455 1.00 0.00 O ATOM 546 CB MET A 36 -8.664 -1.645 -4.348 1.00 0.00 C ATOM 547 CG MET A 36 -9.893 -2.552 -4.494 1.00 0.00 C ATOM 548 SD MET A 36 -11.265 -1.612 -5.215 1.00 0.00 S ATOM 549 CE MET A 36 -10.851 -1.893 -6.950 1.00 0.00 C ATOM 0 H MET A 36 -9.008 -2.033 -1.977 1.00 0.00 H new ATOM 0 HA MET A 36 -7.376 -3.325 -3.900 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.952 -0.698 -3.891 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.254 -1.412 -5.331 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.653 -3.407 -5.127 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.183 -2.948 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.767 -1.961 -7.536 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.245 -1.065 -7.318 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.290 -2.823 -7.044 1.00 0.00 H new ATOM 559 N ALA A 37 -6.086 -0.805 -2.380 1.00 0.00 N ATOM 560 CA ALA A 37 -4.896 0.033 -2.273 1.00 0.00 C ATOM 561 C ALA A 37 -3.626 -0.806 -2.106 1.00 0.00 C ATOM 562 O ALA A 37 -2.636 -0.581 -2.803 1.00 0.00 O ATOM 563 CB ALA A 37 -5.040 0.998 -1.096 1.00 0.00 C ATOM 0 H ALA A 37 -6.693 -0.794 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.804 0.598 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.147 1.619 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.913 1.633 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.163 0.431 -0.173 1.00 0.00 H new ATOM 569 N PHE A 38 -3.643 -1.760 -1.172 1.00 0.00 N ATOM 570 CA PHE A 38 -2.462 -2.593 -0.930 1.00 0.00 C ATOM 571 C PHE A 38 -2.022 -3.306 -2.210 1.00 0.00 C ATOM 572 O PHE A 38 -0.834 -3.361 -2.515 1.00 0.00 O ATOM 573 CB PHE A 38 -2.755 -3.634 0.180 1.00 0.00 C ATOM 574 CG PHE A 38 -2.404 -3.067 1.541 1.00 0.00 C ATOM 575 CD1 PHE A 38 -1.059 -2.880 1.898 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.418 -2.732 2.440 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.738 -2.354 3.159 1.00 0.00 C ATOM 578 CE2 PHE A 38 -3.096 -2.209 3.697 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.758 -2.019 4.055 1.00 0.00 C ATOM 0 H PHE A 38 -4.446 -1.973 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.652 -1.941 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.808 -3.914 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.180 -4.542 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.273 -3.140 1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.452 -2.877 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.295 -2.208 3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.882 -1.952 4.392 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.512 -1.613 5.025 1.00 0.00 H new ATOM 589 N CYS A 39 -2.976 -3.854 -2.944 1.00 0.00 N ATOM 590 CA CYS A 39 -2.651 -4.560 -4.177 1.00 0.00 C ATOM 591 C CYS A 39 -2.183 -3.593 -5.261 1.00 0.00 C ATOM 592 O CYS A 39 -1.204 -3.852 -5.961 1.00 0.00 O ATOM 593 CB CYS A 39 -3.876 -5.322 -4.675 1.00 0.00 C ATOM 594 SG CYS A 39 -4.279 -6.647 -3.512 1.00 0.00 S ATOM 0 H CYS A 39 -3.969 -3.826 -2.714 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.841 -5.257 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.723 -4.643 -4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.681 -5.738 -5.663 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.977 -6.163 -2.528 1.00 0.00 H new ATOM 600 N ALA A 40 -2.909 -2.490 -5.401 1.00 0.00 N ATOM 601 CA ALA A 40 -2.606 -1.484 -6.415 1.00 0.00 C ATOM 602 C ALA A 40 -1.212 -0.884 -6.250 1.00 0.00 C ATOM 603 O ALA A 40 -0.497 -0.683 -7.231 1.00 0.00 O ATOM 604 CB ALA A 40 -3.643 -0.365 -6.323 1.00 0.00 C ATOM 0 H ALA A 40 -3.718 -2.268 -4.821 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.637 -1.976 -7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.428 0.393 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.638 -0.776 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.604 0.086 -5.332 1.00 0.00 H new ATOM 610 N LEU A 41 -0.843 -0.580 -5.015 1.00 0.00 N ATOM 611 CA LEU A 41 0.456 0.018 -4.735 1.00 0.00 C ATOM 612 C LEU A 41 1.589 -0.963 -5.045 1.00 0.00 C ATOM 613 O LEU A 41 2.605 -0.592 -5.633 1.00 0.00 O ATOM 614 CB LEU A 41 0.488 0.441 -3.260 1.00 0.00 C ATOM 615 CG LEU A 41 1.794 1.168 -2.912 1.00 0.00 C ATOM 616 CD1 LEU A 41 1.878 2.510 -3.660 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.823 1.420 -1.398 1.00 0.00 C ATOM 0 H LEU A 41 -1.423 -0.737 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 41 0.602 0.890 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.360 1.093 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.380 -0.439 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 41 2.643 0.553 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.810 3.013 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.848 2.330 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.035 3.139 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.745 1.937 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.969 2.035 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.776 0.468 -0.870 1.00 0.00 H new ATOM 629 N ILE A 42 1.402 -2.215 -4.648 1.00 0.00 N ATOM 630 CA ILE A 42 2.407 -3.257 -4.879 1.00 0.00 C ATOM 631 C ILE A 42 2.547 -3.597 -6.365 1.00 0.00 C ATOM 632 O ILE A 42 3.656 -3.722 -6.881 1.00 0.00 O ATOM 633 CB ILE A 42 1.999 -4.517 -4.087 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.124 -4.249 -2.572 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.862 -5.732 -4.471 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.583 -3.932 -2.178 1.00 0.00 C ATOM 0 H ILE A 42 0.565 -2.539 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 42 3.375 -2.887 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 42 0.963 -4.746 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.480 -3.415 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.776 -5.120 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.546 -6.600 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.743 -5.941 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.909 -5.516 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.638 -3.748 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.221 -4.778 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.921 -3.046 -2.716 1.00 0.00 H new ATOM 648 N HIS A 43 1.414 -3.762 -7.038 1.00 0.00 N ATOM 649 CA HIS A 43 1.410 -4.120 -8.458 1.00 0.00 C ATOM 650 C HIS A 43 2.139 -3.071 -9.296 1.00 0.00 C ATOM 651 O HIS A 43 2.254 -3.202 -10.516 1.00 0.00 O ATOM 652 CB HIS A 43 -0.038 -4.251 -8.936 1.00 0.00 C ATOM 653 CG HIS A 43 -0.074 -4.507 -10.418 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.639 -3.608 -11.310 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.367 -5.560 -11.178 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.527 -4.134 -12.541 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.079 -5.324 -12.519 1.00 0.00 N ATOM 0 H HIS A 43 0.486 -3.655 -6.627 1.00 0.00 H new ATOM 0 HA HIS A 43 1.933 -5.068 -8.580 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.531 -5.066 -8.407 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.589 -3.340 -8.703 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.863 -6.439 -10.794 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.884 -3.653 -13.440 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.286 -5.929 -13.314 1.00 0.00 H new ATOM 665 N LYS A 44 2.610 -2.024 -8.628 1.00 0.00 N ATOM 666 CA LYS A 44 3.310 -0.936 -9.304 1.00 0.00 C ATOM 667 C LYS A 44 4.787 -1.258 -9.507 1.00 0.00 C ATOM 668 O LYS A 44 5.390 -0.870 -10.511 1.00 0.00 O ATOM 669 CB LYS A 44 3.179 0.355 -8.478 1.00 0.00 C ATOM 670 CG LYS A 44 3.420 1.593 -9.363 1.00 0.00 C ATOM 671 CD LYS A 44 4.881 2.048 -9.249 1.00 0.00 C ATOM 672 CE LYS A 44 5.136 3.187 -10.228 1.00 0.00 C ATOM 673 NZ LYS A 44 6.555 3.617 -10.122 1.00 0.00 N ATOM 0 H LYS A 44 2.520 -1.905 -7.619 1.00 0.00 H new ATOM 0 HA LYS A 44 2.853 -0.803 -10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.186 0.408 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.897 0.343 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.184 1.359 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.755 2.401 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.093 2.375 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.550 1.214 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.917 2.863 -11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.473 4.024 -10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.733 4.395 -10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.748 3.941 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.178 2.816 -10.350 1.00 0.00 H new ATOM 687 N PHE A 45 5.372 -1.935 -8.529 1.00 0.00 N ATOM 688 CA PHE A 45 6.794 -2.274 -8.578 1.00 0.00 C ATOM 689 C PHE A 45 7.016 -3.713 -9.046 1.00 0.00 C ATOM 690 O PHE A 45 8.129 -4.084 -9.418 1.00 0.00 O ATOM 691 CB PHE A 45 7.398 -2.096 -7.175 1.00 0.00 C ATOM 692 CG PHE A 45 6.613 -1.052 -6.401 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.752 0.314 -6.701 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.746 -1.455 -5.379 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.023 1.266 -5.974 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.021 -0.503 -4.655 1.00 0.00 C ATOM 697 CZ PHE A 45 5.159 0.857 -4.952 1.00 0.00 C ATOM 0 H PHE A 45 4.888 -2.261 -7.692 1.00 0.00 H new ATOM 0 HA PHE A 45 7.280 -1.610 -9.293 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.382 -3.046 -6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.442 -1.793 -7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.419 0.630 -7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.636 -2.504 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.128 2.316 -6.203 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.354 -0.818 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.599 1.591 -4.392 1.00 0.00 H new ATOM 707 N PHE A 46 5.967 -4.526 -8.994 1.00 0.00 N ATOM 708 CA PHE A 46 6.067 -5.934 -9.384 1.00 0.00 C ATOM 709 C PHE A 46 5.064 -6.283 -10.498 1.00 0.00 C ATOM 710 O PHE A 46 3.892 -6.508 -10.214 1.00 0.00 O ATOM 711 CB PHE A 46 5.793 -6.767 -8.141 1.00 0.00 C ATOM 712 CG PHE A 46 6.770 -6.356 -7.073 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.077 -6.845 -7.103 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.372 -5.480 -6.056 1.00 0.00 C ATOM 715 CE1 PHE A 46 8.991 -6.462 -6.119 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.285 -5.096 -5.070 1.00 0.00 C ATOM 717 CZ PHE A 46 8.595 -5.588 -5.102 1.00 0.00 C ATOM 0 H PHE A 46 5.038 -4.238 -8.687 1.00 0.00 H new ATOM 0 HA PHE A 46 7.061 -6.141 -9.781 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.770 -6.614 -7.799 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.899 -7.829 -8.364 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.382 -7.521 -7.888 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.361 -5.101 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.002 -6.840 -6.144 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.980 -4.421 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.301 -5.292 -4.340 1.00 0.00 H new ATOM 727 N PRO A 47 5.478 -6.331 -11.760 1.00 0.00 N ATOM 728 CA PRO A 47 4.547 -6.659 -12.883 1.00 0.00 C ATOM 729 C PRO A 47 4.211 -8.149 -12.927 1.00 0.00 C ATOM 730 O PRO A 47 3.065 -8.536 -13.160 1.00 0.00 O ATOM 731 CB PRO A 47 5.310 -6.235 -14.165 1.00 0.00 C ATOM 732 CG PRO A 47 6.636 -5.681 -13.713 1.00 0.00 C ATOM 733 CD PRO A 47 6.843 -6.098 -12.258 1.00 0.00 C ATOM 0 HA PRO A 47 3.593 -6.144 -12.772 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.452 -7.086 -14.831 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.747 -5.486 -14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.443 -6.063 -14.339 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.648 -4.595 -13.805 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.455 -6.997 -12.183 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.349 -5.320 -11.687 1.00 0.00 H new ATOM 741 N GLU A 48 5.222 -8.974 -12.683 1.00 0.00 N ATOM 742 CA GLU A 48 5.035 -10.418 -12.688 1.00 0.00 C ATOM 743 C GLU A 48 4.252 -10.819 -11.448 1.00 0.00 C ATOM 744 O GLU A 48 4.196 -11.993 -11.071 1.00 0.00 O ATOM 745 CB GLU A 48 6.400 -11.124 -12.718 1.00 0.00 C ATOM 746 CG GLU A 48 7.235 -10.684 -11.510 1.00 0.00 C ATOM 747 CD GLU A 48 6.790 -11.441 -10.262 1.00 0.00 C ATOM 748 OE1 GLU A 48 7.079 -12.623 -10.175 1.00 0.00 O ATOM 749 OE2 GLU A 48 6.167 -10.827 -9.413 1.00 0.00 O ATOM 0 H GLU A 48 6.174 -8.669 -12.480 1.00 0.00 H new ATOM 0 HA GLU A 48 4.478 -10.716 -13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.262 -12.205 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.925 -10.883 -13.642 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.292 -10.871 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.124 -9.611 -11.353 1.00 0.00 H new ATOM 756 N ALA A 49 3.657 -9.809 -10.820 1.00 0.00 N ATOM 757 CA ALA A 49 2.872 -9.998 -9.604 1.00 0.00 C ATOM 758 C ALA A 49 1.500 -10.572 -9.904 1.00 0.00 C ATOM 759 O ALA A 49 1.254 -11.767 -9.735 1.00 0.00 O ATOM 760 CB ALA A 49 2.676 -8.655 -8.910 1.00 0.00 C ATOM 0 H ALA A 49 3.705 -8.841 -11.138 1.00 0.00 H new ATOM 0 HA ALA A 49 3.418 -10.695 -8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.090 -8.797 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.648 -8.233 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.150 -7.973 -9.579 1.00 0.00 H new ATOM 766 N PHE A 50 0.624 -9.704 -10.375 1.00 0.00 N ATOM 767 CA PHE A 50 -0.726 -10.086 -10.723 1.00 0.00 C ATOM 768 C PHE A 50 -1.383 -8.972 -11.525 1.00 0.00 C ATOM 769 O PHE A 50 -0.956 -7.820 -11.470 1.00 0.00 O ATOM 770 CB PHE A 50 -1.541 -10.369 -9.458 1.00 0.00 C ATOM 771 CG PHE A 50 -1.383 -9.224 -8.479 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.195 -8.088 -8.587 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.425 -9.301 -7.458 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.049 -7.030 -7.678 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.278 -8.244 -6.550 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.090 -7.108 -6.659 1.00 0.00 C ATOM 0 H PHE A 50 0.831 -8.717 -10.526 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.692 -10.993 -11.326 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.593 -10.499 -9.713 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.207 -11.300 -9.000 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.935 -8.027 -9.371 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.201 -10.177 -7.371 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.676 -6.155 -7.763 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.462 -8.305 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.977 -6.293 -5.959 1.00 0.00 H new ATOM 786 N ASP A 51 -2.440 -9.319 -12.242 1.00 0.00 N ATOM 787 CA ASP A 51 -3.172 -8.337 -13.030 1.00 0.00 C ATOM 788 C ASP A 51 -4.187 -7.628 -12.142 1.00 0.00 C ATOM 789 O ASP A 51 -5.277 -8.142 -11.894 1.00 0.00 O ATOM 790 CB ASP A 51 -3.892 -9.023 -14.194 1.00 0.00 C ATOM 791 CG ASP A 51 -2.886 -9.471 -15.250 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.752 -9.026 -15.186 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.266 -10.254 -16.106 1.00 0.00 O ATOM 0 H ASP A 51 -2.810 -10.268 -12.295 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.469 -7.608 -13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.452 -9.883 -13.828 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.614 -8.338 -14.638 1.00 0.00 H new ATOM 798 N TYR A 52 -3.814 -6.453 -11.645 1.00 0.00 N ATOM 799 CA TYR A 52 -4.692 -5.681 -10.768 1.00 0.00 C ATOM 800 C TYR A 52 -5.973 -5.301 -11.479 1.00 0.00 C ATOM 801 O TYR A 52 -6.988 -5.019 -10.842 1.00 0.00 O ATOM 802 CB TYR A 52 -3.980 -4.405 -10.321 1.00 0.00 C ATOM 803 CG TYR A 52 -4.944 -3.499 -9.580 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.710 -2.564 -10.290 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.078 -3.599 -8.191 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.608 -1.730 -9.609 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.975 -2.768 -7.512 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.740 -1.833 -8.220 1.00 0.00 C ATOM 809 OH TYR A 52 -7.622 -1.012 -7.548 1.00 0.00 O ATOM 0 H TYR A 52 -2.913 -6.014 -11.833 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.937 -6.300 -9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.138 -4.657 -9.676 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.573 -3.884 -11.188 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.608 -2.486 -11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.488 -4.319 -7.643 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.197 -1.009 -10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.078 -2.848 -6.440 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.236 -0.597 -8.189 1.00 0.00 H new ATOM 819 N ALA A 53 -5.920 -5.292 -12.797 1.00 0.00 N ATOM 820 CA ALA A 53 -7.086 -4.942 -13.589 1.00 0.00 C ATOM 821 C ALA A 53 -8.027 -6.134 -13.712 1.00 0.00 C ATOM 822 O ALA A 53 -9.187 -5.980 -14.091 1.00 0.00 O ATOM 823 CB ALA A 53 -6.642 -4.493 -14.980 1.00 0.00 C ATOM 0 H ALA A 53 -5.088 -5.521 -13.341 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.616 -4.129 -13.092 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.517 -4.230 -15.574 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.990 -3.624 -14.891 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.102 -5.304 -15.469 1.00 0.00 H new ATOM 829 N GLU A 54 -7.519 -7.326 -13.397 1.00 0.00 N ATOM 830 CA GLU A 54 -8.312 -8.542 -13.480 1.00 0.00 C ATOM 831 C GLU A 54 -9.079 -8.769 -12.186 1.00 0.00 C ATOM 832 O GLU A 54 -10.061 -9.508 -12.161 1.00 0.00 O ATOM 833 CB GLU A 54 -7.371 -9.721 -13.712 1.00 0.00 C ATOM 834 CG GLU A 54 -8.153 -10.930 -14.235 1.00 0.00 C ATOM 835 CD GLU A 54 -8.623 -10.665 -15.661 1.00 0.00 C ATOM 836 OE1 GLU A 54 -8.241 -9.643 -16.209 1.00 0.00 O ATOM 837 OE2 GLU A 54 -9.356 -11.488 -16.186 1.00 0.00 O ATOM 0 H GLU A 54 -6.560 -7.470 -13.082 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.025 -8.449 -14.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.597 -9.442 -14.428 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.866 -9.981 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.524 -11.820 -14.209 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.010 -11.127 -13.591 1.00 0.00 H new ATOM 844 N LEU A 55 -8.619 -8.141 -11.109 1.00 0.00 N ATOM 845 CA LEU A 55 -9.261 -8.298 -9.812 1.00 0.00 C ATOM 846 C LEU A 55 -10.516 -7.440 -9.721 1.00 0.00 C ATOM 847 O LEU A 55 -10.618 -6.394 -10.362 1.00 0.00 O ATOM 848 CB LEU A 55 -8.263 -7.898 -8.728 1.00 0.00 C ATOM 849 CG LEU A 55 -7.052 -8.853 -8.770 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.925 -8.309 -7.872 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.468 -10.264 -8.293 1.00 0.00 C ATOM 0 H LEU A 55 -7.808 -7.522 -11.109 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.562 -9.337 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.935 -6.870 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.738 -7.938 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.692 -8.920 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.073 -8.988 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.619 -7.325 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.284 -8.229 -6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.605 -10.929 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.842 -10.207 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.251 -10.652 -8.944 1.00 0.00 H new ATOM 863 N ASP A 56 -11.476 -7.908 -8.923 1.00 0.00 N ATOM 864 CA ASP A 56 -12.745 -7.207 -8.743 1.00 0.00 C ATOM 865 C ASP A 56 -12.908 -6.760 -7.279 1.00 0.00 C ATOM 866 O ASP A 56 -12.454 -7.456 -6.365 1.00 0.00 O ATOM 867 CB ASP A 56 -13.890 -8.156 -9.138 1.00 0.00 C ATOM 868 CG ASP A 56 -14.016 -8.241 -10.654 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.148 -8.841 -11.268 1.00 0.00 O ATOM 870 OD2 ASP A 56 -14.983 -7.716 -11.177 1.00 0.00 O ATOM 0 H ASP A 56 -11.397 -8.774 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.766 -6.318 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.706 -9.148 -8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.827 -7.802 -8.709 1.00 0.00 H new ATOM 875 N PRO A 57 -13.541 -5.629 -7.030 1.00 0.00 N ATOM 876 CA PRO A 57 -13.732 -5.120 -5.647 1.00 0.00 C ATOM 877 C PRO A 57 -14.321 -6.216 -4.766 1.00 0.00 C ATOM 878 O PRO A 57 -14.180 -6.200 -3.545 1.00 0.00 O ATOM 879 CB PRO A 57 -14.733 -3.941 -5.792 1.00 0.00 C ATOM 880 CG PRO A 57 -15.112 -3.866 -7.250 1.00 0.00 C ATOM 881 CD PRO A 57 -14.130 -4.725 -8.030 1.00 0.00 C ATOM 0 HA PRO A 57 -12.796 -4.806 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.614 -4.104 -5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.279 -3.006 -5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.132 -4.221 -7.398 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.079 -2.834 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.634 -5.283 -8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.365 -4.114 -8.510 1.00 0.00 H new ATOM 889 N ALA A 58 -14.984 -7.164 -5.414 1.00 0.00 N ATOM 890 CA ALA A 58 -15.606 -8.278 -4.712 1.00 0.00 C ATOM 891 C ALA A 58 -14.547 -9.144 -4.045 1.00 0.00 C ATOM 892 O ALA A 58 -14.709 -9.586 -2.908 1.00 0.00 O ATOM 893 CB ALA A 58 -16.395 -9.124 -5.713 1.00 0.00 C ATOM 0 H ALA A 58 -15.105 -7.184 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.273 -7.886 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.863 -9.960 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.165 -8.510 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.720 -9.505 -6.479 1.00 0.00 H new ATOM 899 N LYS A 59 -13.468 -9.385 -4.781 1.00 0.00 N ATOM 900 CA LYS A 59 -12.363 -10.210 -4.297 1.00 0.00 C ATOM 901 C LYS A 59 -11.409 -9.407 -3.417 1.00 0.00 C ATOM 902 O LYS A 59 -10.274 -9.139 -3.805 1.00 0.00 O ATOM 903 CB LYS A 59 -11.594 -10.775 -5.503 1.00 0.00 C ATOM 904 CG LYS A 59 -12.447 -11.834 -6.223 1.00 0.00 C ATOM 905 CD LYS A 59 -11.671 -12.410 -7.419 1.00 0.00 C ATOM 906 CE LYS A 59 -12.525 -13.468 -8.121 1.00 0.00 C ATOM 907 NZ LYS A 59 -12.688 -14.643 -7.220 1.00 0.00 N ATOM 0 H LYS A 59 -13.333 -9.018 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.776 -11.019 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.341 -9.970 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.655 -11.217 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.710 -12.634 -5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.381 -11.389 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.414 -11.613 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.734 -12.851 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.500 -13.054 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.052 -13.773 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.975 -15.472 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.786 -14.842 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.418 -14.436 -6.508 1.00 0.00 H new ATOM 921 N ARG A 60 -11.873 -9.018 -2.231 1.00 0.00 N ATOM 922 CA ARG A 60 -11.044 -8.235 -1.311 1.00 0.00 C ATOM 923 C ARG A 60 -10.136 -9.127 -0.455 1.00 0.00 C ATOM 924 O ARG A 60 -8.950 -8.846 -0.298 1.00 0.00 O ATOM 925 CB ARG A 60 -11.947 -7.390 -0.406 1.00 0.00 C ATOM 926 CG ARG A 60 -12.675 -8.305 0.580 1.00 0.00 C ATOM 927 CD ARG A 60 -13.828 -7.545 1.234 1.00 0.00 C ATOM 928 NE ARG A 60 -13.311 -6.456 2.052 1.00 0.00 N ATOM 929 CZ ARG A 60 -14.127 -5.584 2.632 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.099 -6.007 3.393 1.00 0.00 N ATOM 931 NH2 ARG A 60 -13.953 -4.304 2.445 1.00 0.00 N ATOM 0 H ARG A 60 -12.809 -9.229 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.399 -7.589 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.352 -6.654 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.669 -6.837 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.055 -9.185 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.981 -8.659 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.494 -7.149 0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.418 -8.224 1.850 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.304 -6.362 2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.232 -7.007 3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.726 -5.337 3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.190 -3.974 1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.580 -3.634 2.890 1.00 0.00 H new ATOM 945 N ARG A 61 -10.694 -10.182 0.120 1.00 0.00 N ATOM 946 CA ARG A 61 -9.906 -11.062 0.981 1.00 0.00 C ATOM 947 C ARG A 61 -8.637 -11.496 0.265 1.00 0.00 C ATOM 948 O ARG A 61 -7.541 -11.473 0.832 1.00 0.00 O ATOM 949 CB ARG A 61 -10.714 -12.310 1.315 1.00 0.00 C ATOM 950 CG ARG A 61 -12.022 -11.911 1.994 1.00 0.00 C ATOM 951 CD ARG A 61 -12.846 -13.165 2.287 1.00 0.00 C ATOM 952 NE ARG A 61 -13.317 -13.764 1.039 1.00 0.00 N ATOM 953 CZ ARG A 61 -13.526 -15.074 0.938 1.00 0.00 C ATOM 954 NH1 ARG A 61 -14.444 -15.645 1.668 1.00 0.00 N ATOM 955 NH2 ARG A 61 -12.812 -15.789 0.109 1.00 0.00 N ATOM 0 H ARG A 61 -11.672 -10.450 0.011 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.652 -10.518 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.923 -12.874 0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.138 -12.963 1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.815 -11.374 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.586 -11.234 1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.242 -13.885 2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.696 -12.911 2.920 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.489 -13.166 0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.001 -15.087 2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.605 -16.649 1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.094 -15.343 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.973 -16.793 0.032 1.00 0.00 H new ATOM 969 N HIS A 62 -8.801 -11.887 -0.988 1.00 0.00 N ATOM 970 CA HIS A 62 -7.688 -12.328 -1.802 1.00 0.00 C ATOM 971 C HIS A 62 -6.699 -11.192 -2.033 1.00 0.00 C ATOM 972 O HIS A 62 -5.493 -11.410 -2.080 1.00 0.00 O ATOM 973 CB HIS A 62 -8.219 -12.820 -3.144 1.00 0.00 C ATOM 974 CG HIS A 62 -8.914 -14.147 -2.960 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.218 -15.315 -2.692 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.239 -14.504 -3.010 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.119 -16.311 -2.593 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.366 -15.870 -2.778 1.00 0.00 N ATOM 0 H HIS A 62 -9.703 -11.907 -1.464 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.170 -13.134 -1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.913 -12.090 -3.561 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.399 -12.923 -3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.059 -13.827 -3.201 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.864 -17.341 -2.389 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.227 -16.417 -2.754 1.00 0.00 H new ATOM 986 N ASN A 63 -7.221 -9.981 -2.162 1.00 0.00 N ATOM 987 CA ASN A 63 -6.376 -8.810 -2.385 1.00 0.00 C ATOM 988 C ASN A 63 -5.409 -8.605 -1.234 1.00 0.00 C ATOM 989 O ASN A 63 -4.230 -8.338 -1.436 1.00 0.00 O ATOM 990 CB ASN A 63 -7.259 -7.557 -2.530 1.00 0.00 C ATOM 991 CG ASN A 63 -7.219 -6.683 -1.271 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.172 -6.123 -0.938 1.00 0.00 O ATOM 993 ND2 ASN A 63 -8.288 -6.555 -0.545 1.00 0.00 N ATOM 0 H ASN A 63 -8.220 -9.781 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.802 -8.975 -3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.924 -6.974 -3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.287 -7.858 -2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.263 -5.990 0.304 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.152 -7.020 -0.824 1.00 0.00 H new ATOM 1000 N PHE A 64 -5.928 -8.720 -0.027 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.090 -8.532 1.144 1.00 0.00 C ATOM 1002 C PHE A 64 -4.044 -9.640 1.208 1.00 0.00 C ATOM 1003 O PHE A 64 -2.846 -9.372 1.283 1.00 0.00 O ATOM 1004 CB PHE A 64 -5.944 -8.515 2.419 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.655 -7.180 2.557 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -5.960 -6.060 3.044 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.004 -7.059 2.199 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.614 -4.828 3.169 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.656 -5.825 2.326 1.00 0.00 C ATOM 1010 CZ PHE A 64 -7.962 -4.711 2.810 1.00 0.00 C ATOM 0 H PHE A 64 -6.905 -8.938 0.168 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.581 -7.571 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.675 -9.323 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.313 -8.691 3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.920 -6.149 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.542 -7.917 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.078 -3.968 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.696 -5.734 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.466 -3.761 2.907 1.00 0.00 H new ATOM 1020 N THR A 65 -4.501 -10.887 1.155 1.00 0.00 N ATOM 1021 CA THR A 65 -3.575 -12.013 1.203 1.00 0.00 C ATOM 1022 C THR A 65 -2.578 -11.905 0.062 1.00 0.00 C ATOM 1023 O THR A 65 -1.377 -12.095 0.248 1.00 0.00 O ATOM 1024 CB THR A 65 -4.328 -13.342 1.074 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.419 -13.369 1.983 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.371 -14.498 1.385 1.00 0.00 C ATOM 0 H THR A 65 -5.486 -11.141 1.080 1.00 0.00 H new ATOM 0 HA THR A 65 -3.056 -11.987 2.161 1.00 0.00 H new ATOM 0 HB THR A 65 -4.709 -13.445 0.058 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.186 -12.906 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.903 -15.445 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.539 -14.481 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.990 -14.392 2.401 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.095 -11.598 -1.119 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.266 -11.472 -2.308 1.00 0.00 C ATOM 1036 C LEU A 66 -1.242 -10.362 -2.150 1.00 0.00 C ATOM 1037 O LEU A 66 -0.062 -10.554 -2.441 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.171 -11.156 -3.497 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.367 -11.003 -4.792 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.647 -12.315 -5.130 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.342 -10.645 -5.916 1.00 0.00 C ATOM 0 H LEU A 66 -4.088 -11.431 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.730 -12.408 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.907 -11.951 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.724 -10.237 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.616 -10.222 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.080 -12.192 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.968 -12.577 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.381 -13.110 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.793 -10.530 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.080 -11.439 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.848 -9.710 -5.675 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.693 -9.201 -1.701 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.783 -8.085 -1.539 1.00 0.00 C ATOM 1055 C ALA A 67 0.327 -8.455 -0.575 1.00 0.00 C ATOM 1056 O ALA A 67 1.489 -8.098 -0.775 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.532 -6.869 -1.009 1.00 0.00 C ATOM 0 H ALA A 67 -2.663 -9.011 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.351 -7.844 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.838 -6.037 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.317 -6.590 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.978 -7.109 -0.044 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.039 -9.190 0.465 1.00 0.00 N ATOM 1064 CA PHE A 68 0.935 -9.610 1.457 1.00 0.00 C ATOM 1065 C PHE A 68 1.712 -10.832 0.976 1.00 0.00 C ATOM 1066 O PHE A 68 2.940 -10.852 1.038 1.00 0.00 O ATOM 1067 CB PHE A 68 0.230 -9.904 2.790 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.528 -8.672 3.270 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.101 -7.418 3.296 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.867 -8.783 3.698 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.597 -6.289 3.743 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.557 -7.650 4.145 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.924 -6.405 4.167 1.00 0.00 C ATOM 0 H PHE A 68 -0.993 -9.504 0.642 1.00 0.00 H new ATOM 0 HA PHE A 68 1.649 -8.801 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.460 -10.739 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.963 -10.203 3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.126 -7.323 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.361 -9.743 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.109 -5.326 3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.582 -7.739 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.459 -5.533 4.511 1.00 0.00 H new ATOM 1083 N SER A 69 1.005 -11.845 0.486 1.00 0.00 N ATOM 1084 CA SER A 69 1.670 -13.048 -0.008 1.00 0.00 C ATOM 1085 C SER A 69 2.599 -12.710 -1.173 1.00 0.00 C ATOM 1086 O SER A 69 3.621 -13.368 -1.371 1.00 0.00 O ATOM 1087 CB SER A 69 0.640 -14.083 -0.459 1.00 0.00 C ATOM 1088 OG SER A 69 0.002 -14.637 0.682 1.00 0.00 O ATOM 0 H SER A 69 -0.013 -11.860 0.420 1.00 0.00 H new ATOM 0 HA SER A 69 2.261 -13.465 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.098 -13.618 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.126 -14.870 -1.036 1.00 0.00 H new ATOM 0 HG SER A 69 -0.541 -15.407 0.412 1.00 0.00 H new ATOM 1094 N THR A 70 2.257 -11.668 -1.929 1.00 0.00 N ATOM 1095 CA THR A 70 3.102 -11.257 -3.042 1.00 0.00 C ATOM 1096 C THR A 70 4.308 -10.481 -2.525 1.00 0.00 C ATOM 1097 O THR A 70 5.442 -10.740 -2.921 1.00 0.00 O ATOM 1098 CB THR A 70 2.321 -10.394 -4.034 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.250 -11.149 -4.582 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.260 -9.947 -5.153 1.00 0.00 C ATOM 0 H THR A 70 1.418 -11.105 -1.794 1.00 0.00 H new ATOM 0 HA THR A 70 3.442 -12.155 -3.558 1.00 0.00 H new ATOM 0 HB THR A 70 1.917 -9.520 -3.523 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.419 -10.926 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.710 -9.331 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.081 -9.368 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.660 -10.823 -5.664 1.00 0.00 H new ATOM 1108 N ALA A 71 4.056 -9.528 -1.634 1.00 0.00 N ATOM 1109 CA ALA A 71 5.135 -8.720 -1.073 1.00 0.00 C ATOM 1110 C ALA A 71 6.106 -9.584 -0.275 1.00 0.00 C ATOM 1111 O ALA A 71 7.307 -9.317 -0.253 1.00 0.00 O ATOM 1112 CB ALA A 71 4.568 -7.627 -0.170 1.00 0.00 C ATOM 0 H ALA A 71 3.125 -9.297 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 71 5.673 -8.261 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.385 -7.034 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.907 -6.983 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.006 -8.083 0.645 1.00 0.00 H new ATOM 1118 N GLU A 72 5.587 -10.620 0.378 1.00 0.00 N ATOM 1119 CA GLU A 72 6.437 -11.503 1.161 1.00 0.00 C ATOM 1120 C GLU A 72 7.325 -12.347 0.252 1.00 0.00 C ATOM 1121 O GLU A 72 8.535 -12.427 0.441 1.00 0.00 O ATOM 1122 CB GLU A 72 5.578 -12.419 2.044 1.00 0.00 C ATOM 1123 CG GLU A 72 4.965 -11.607 3.189 1.00 0.00 C ATOM 1124 CD GLU A 72 3.946 -12.453 3.949 1.00 0.00 C ATOM 1125 OE1 GLU A 72 3.804 -13.617 3.616 1.00 0.00 O ATOM 1126 OE2 GLU A 72 3.320 -11.922 4.852 1.00 0.00 O ATOM 0 H GLU A 72 4.597 -10.864 0.380 1.00 0.00 H new ATOM 0 HA GLU A 72 7.075 -10.887 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.789 -12.879 1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.187 -13.229 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.749 -11.273 3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.483 -10.713 2.793 1.00 0.00 H new ATOM 1133 N LYS A 73 6.732 -12.992 -0.735 1.00 0.00 N ATOM 1134 CA LYS A 73 7.518 -13.830 -1.623 1.00 0.00 C ATOM 1135 C LYS A 73 8.561 -12.999 -2.375 1.00 0.00 C ATOM 1136 O LYS A 73 9.694 -13.441 -2.573 1.00 0.00 O ATOM 1137 CB LYS A 73 6.598 -14.542 -2.629 1.00 0.00 C ATOM 1138 CG LYS A 73 5.709 -15.586 -1.912 1.00 0.00 C ATOM 1139 CD LYS A 73 4.737 -16.236 -2.909 1.00 0.00 C ATOM 1140 CE LYS A 73 3.870 -17.273 -2.187 1.00 0.00 C ATOM 1141 NZ LYS A 73 2.769 -16.573 -1.464 1.00 0.00 N ATOM 0 H LYS A 73 5.734 -12.955 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 73 8.037 -14.574 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.970 -13.810 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.199 -15.033 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.334 -16.351 -1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.150 -15.107 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.105 -15.474 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.294 -16.712 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.457 -17.982 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.476 -17.846 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.656 -16.989 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.000 -15.563 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.882 -16.679 -1.996 1.00 0.00 H new ATOM 1155 N LEU A 74 8.166 -11.806 -2.808 1.00 0.00 N ATOM 1156 CA LEU A 74 9.057 -10.933 -3.560 1.00 0.00 C ATOM 1157 C LEU A 74 9.944 -10.072 -2.656 1.00 0.00 C ATOM 1158 O LEU A 74 11.100 -9.822 -2.995 1.00 0.00 O ATOM 1159 CB LEU A 74 8.225 -10.017 -4.471 1.00 0.00 C ATOM 1160 CG LEU A 74 7.527 -10.837 -5.569 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.588 -9.923 -6.364 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.570 -11.457 -6.522 1.00 0.00 C ATOM 0 H LEU A 74 7.234 -11.423 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 74 9.714 -11.573 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.481 -9.484 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.869 -9.264 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 74 6.956 -11.640 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.091 -10.501 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.840 -9.499 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.164 -9.118 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.060 -12.034 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.154 -10.663 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.234 -12.112 -5.958 1.00 0.00 H new ATOM 1174 N ALA A 75 9.412 -9.580 -1.526 1.00 0.00 N ATOM 1175 CA ALA A 75 10.203 -8.707 -0.651 1.00 0.00 C ATOM 1176 C ALA A 75 10.324 -9.243 0.773 1.00 0.00 C ATOM 1177 O ALA A 75 10.985 -8.624 1.606 1.00 0.00 O ATOM 1178 CB ALA A 75 9.554 -7.319 -0.610 1.00 0.00 C ATOM 0 H ALA A 75 8.462 -9.766 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 75 11.210 -8.661 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.136 -6.664 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.525 -6.901 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.539 -7.403 -0.223 1.00 0.00 H new ATOM 1184 N ASP A 76 9.710 -10.386 1.065 1.00 0.00 N ATOM 1185 CA ASP A 76 9.806 -10.940 2.414 1.00 0.00 C ATOM 1186 C ASP A 76 9.525 -9.847 3.444 1.00 0.00 C ATOM 1187 O ASP A 76 10.151 -9.791 4.502 1.00 0.00 O ATOM 1188 CB ASP A 76 11.204 -11.509 2.622 1.00 0.00 C ATOM 1189 CG ASP A 76 11.256 -12.314 3.914 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.279 -12.294 4.642 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.275 -12.939 4.158 1.00 0.00 O ATOM 0 H ASP A 76 9.155 -10.934 0.408 1.00 0.00 H new ATOM 0 HA ASP A 76 9.070 -11.734 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.476 -12.143 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.933 -10.699 2.660 1.00 0.00 H new ATOM 1196 N CYS A 77 8.586 -8.971 3.097 1.00 0.00 N ATOM 1197 CA CYS A 77 8.208 -7.847 3.950 1.00 0.00 C ATOM 1198 C CYS A 77 7.907 -8.272 5.389 1.00 0.00 C ATOM 1199 O CYS A 77 8.191 -9.398 5.799 1.00 0.00 O ATOM 1200 CB CYS A 77 6.977 -7.159 3.348 1.00 0.00 C ATOM 1201 SG CYS A 77 6.916 -5.433 3.888 1.00 0.00 S ATOM 0 H CYS A 77 8.067 -9.019 2.220 1.00 0.00 H new ATOM 0 HA CYS A 77 9.055 -7.162 3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.017 -7.208 2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.070 -7.679 3.657 1.00 0.00 H new ATOM 0 HG CYS A 77 6.023 -5.302 4.824 1.00 0.00 H new ATOM 1207 N ALA A 78 7.315 -7.343 6.140 1.00 0.00 N ATOM 1208 CA ALA A 78 6.951 -7.580 7.534 1.00 0.00 C ATOM 1209 C ALA A 78 5.567 -8.228 7.615 1.00 0.00 C ATOM 1210 O ALA A 78 4.877 -8.357 6.608 1.00 0.00 O ATOM 1211 CB ALA A 78 6.949 -6.253 8.302 1.00 0.00 C ATOM 0 H ALA A 78 7.076 -6.411 5.800 1.00 0.00 H new ATOM 0 HA ALA A 78 7.682 -8.253 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.677 -6.435 9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.943 -5.807 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.226 -5.573 7.851 1.00 0.00 H new ATOM 1217 N GLN A 79 5.173 -8.634 8.822 1.00 0.00 N ATOM 1218 CA GLN A 79 3.871 -9.271 9.037 1.00 0.00 C ATOM 1219 C GLN A 79 3.119 -8.548 10.142 1.00 0.00 C ATOM 1220 O GLN A 79 2.970 -9.070 11.250 1.00 0.00 O ATOM 1221 CB GLN A 79 4.080 -10.730 9.436 1.00 0.00 C ATOM 1222 CG GLN A 79 4.683 -11.491 8.257 1.00 0.00 C ATOM 1223 CD GLN A 79 4.923 -12.947 8.640 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.050 -13.586 9.227 1.00 0.00 O ATOM 1225 NE2 GLN A 79 6.061 -13.513 8.342 1.00 0.00 N ATOM 0 H GLN A 79 5.736 -8.534 9.667 1.00 0.00 H new ATOM 0 HA GLN A 79 3.290 -9.222 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.741 -10.792 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.131 -11.180 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.013 -11.438 7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.622 -11.026 7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.783 -12.982 7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.228 -14.487 8.596 1.00 0.00 H new ATOM 1234 N LEU A 80 2.664 -7.329 9.849 1.00 0.00 N ATOM 1235 CA LEU A 80 1.951 -6.532 10.846 1.00 0.00 C ATOM 1236 C LEU A 80 0.434 -6.577 10.624 1.00 0.00 C ATOM 1237 O LEU A 80 -0.334 -6.372 11.563 1.00 0.00 O ATOM 1238 CB LEU A 80 2.408 -5.061 10.772 1.00 0.00 C ATOM 1239 CG LEU A 80 3.904 -4.958 10.478 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.302 -3.483 10.480 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.712 -5.690 11.543 1.00 0.00 C ATOM 0 H LEU A 80 2.775 -6.877 8.941 1.00 0.00 H new ATOM 0 HA LEU A 80 2.180 -6.956 11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.846 -4.542 9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.185 -4.561 11.715 1.00 0.00 H new ATOM 0 HG LEU A 80 4.109 -5.412 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.368 -3.394 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.737 -2.953 9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.086 -3.049 11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.775 -5.605 11.316 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.513 -5.247 12.519 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.427 -6.742 11.557 1.00 0.00 H new ATOM 1253 N LEU A 81 0.002 -6.823 9.378 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.444 -6.860 9.056 1.00 0.00 C ATOM 1255 C LEU A 81 -1.919 -8.276 8.727 1.00 0.00 C ATOM 1256 O LEU A 81 -1.230 -9.038 8.045 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.760 -5.956 7.847 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.861 -4.723 7.859 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.144 -3.867 6.625 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.152 -3.904 9.108 1.00 0.00 C ATOM 0 H LEU A 81 0.617 -6.998 8.584 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.967 -6.503 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.614 -6.512 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.806 -5.652 7.875 1.00 0.00 H new ATOM 0 HG LEU A 81 0.183 -5.037 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.500 -2.987 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.946 -4.449 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.188 -3.553 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.512 -3.022 9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.197 -3.594 9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.955 -4.508 9.993 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.120 -8.599 9.206 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.732 -9.908 8.965 1.00 0.00 C ATOM 1274 C GLU A 82 -5.002 -9.746 8.135 1.00 0.00 C ATOM 1275 O GLU A 82 -5.896 -8.978 8.486 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.061 -10.572 10.296 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.761 -10.827 11.057 1.00 0.00 C ATOM 1278 CD GLU A 82 -1.918 -11.867 10.324 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.478 -12.588 9.515 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.728 -11.924 10.580 1.00 0.00 O ATOM 0 H GLU A 82 -3.693 -7.968 9.767 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.030 -10.535 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.722 -9.934 10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.590 -11.510 10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.200 -9.897 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.984 -11.174 12.066 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.063 -10.474 7.032 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.201 -10.415 6.123 1.00 0.00 C ATOM 1289 C VAL A 83 -7.525 -10.456 6.880 1.00 0.00 C ATOM 1290 O VAL A 83 -8.397 -9.610 6.680 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.109 -11.621 5.182 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.342 -11.676 4.267 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.807 -11.531 4.349 1.00 0.00 C ATOM 0 H VAL A 83 -4.330 -11.120 6.740 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.171 -9.477 5.568 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.084 -12.538 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.264 -12.537 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.242 -11.766 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.395 -10.764 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.743 -12.389 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.814 -10.613 3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.947 -11.527 5.018 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.676 -11.462 7.719 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.907 -11.634 8.478 1.00 0.00 C ATOM 1305 C ASP A 84 -9.260 -10.371 9.254 1.00 0.00 C ATOM 1306 O ASP A 84 -10.408 -9.928 9.242 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.743 -12.805 9.448 1.00 0.00 C ATOM 1308 CG ASP A 84 -7.389 -12.715 10.141 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -6.386 -12.824 9.453 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -7.374 -12.541 11.347 1.00 0.00 O ATOM 0 H ASP A 84 -6.966 -12.173 7.895 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.717 -11.838 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.543 -12.790 10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.824 -13.749 8.910 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.273 -9.800 9.931 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.502 -8.594 10.713 1.00 0.00 C ATOM 1317 C ASP A 85 -8.883 -7.443 9.796 1.00 0.00 C ATOM 1318 O ASP A 85 -9.802 -6.681 10.087 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.234 -8.238 11.491 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.566 -7.280 12.628 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -8.693 -7.307 13.091 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -6.687 -6.532 13.021 1.00 0.00 O ATOM 0 H ASP A 85 -7.315 -10.149 9.955 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.318 -8.773 11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.777 -9.144 11.890 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.504 -7.781 10.822 1.00 0.00 H new ATOM 1327 N MET A 86 -8.180 -7.334 8.676 1.00 0.00 N ATOM 1328 CA MET A 86 -8.467 -6.285 7.715 1.00 0.00 C ATOM 1329 C MET A 86 -9.881 -6.450 7.179 1.00 0.00 C ATOM 1330 O MET A 86 -10.652 -5.496 7.092 1.00 0.00 O ATOM 1331 CB MET A 86 -7.474 -6.375 6.555 1.00 0.00 C ATOM 1332 CG MET A 86 -6.041 -6.153 7.052 1.00 0.00 C ATOM 1333 SD MET A 86 -5.142 -5.139 5.846 1.00 0.00 S ATOM 1334 CE MET A 86 -5.533 -3.531 6.577 1.00 0.00 C ATOM 0 H MET A 86 -7.414 -7.955 8.415 1.00 0.00 H new ATOM 0 HA MET A 86 -8.377 -5.315 8.204 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.552 -7.352 6.078 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.722 -5.630 5.799 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.053 -5.659 8.024 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.538 -7.110 7.187 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.163 -2.737 5.928 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.613 -3.435 6.688 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.059 -3.451 7.555 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.202 -7.686 6.844 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.518 -8.024 6.328 1.00 0.00 C ATOM 1346 C VAL A 87 -12.589 -7.816 7.394 1.00 0.00 C ATOM 1347 O VAL A 87 -13.658 -7.272 7.114 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.516 -9.483 5.865 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.939 -9.915 5.487 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.587 -9.622 4.650 1.00 0.00 C ATOM 0 H VAL A 87 -9.565 -8.479 6.920 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.747 -7.370 5.487 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.160 -10.122 6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.929 -10.954 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.592 -9.815 6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.309 -9.283 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.580 -10.659 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.944 -8.982 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.576 -9.324 4.929 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.299 -8.251 8.620 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.239 -8.114 9.716 1.00 0.00 C ATOM 1362 C ARG A 88 -13.396 -6.662 10.147 1.00 0.00 C ATOM 1363 O ARG A 88 -14.513 -6.177 10.328 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.731 -8.956 10.894 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.557 -8.654 12.140 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.336 -9.738 13.193 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.958 -10.986 12.769 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.877 -12.083 13.512 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -14.065 -12.016 14.803 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.607 -13.228 12.952 1.00 0.00 N ATOM 0 H ARG A 88 -11.419 -8.700 8.872 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.218 -8.461 9.386 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.798 -10.016 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.680 -8.738 11.082 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.277 -7.681 12.544 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.614 -8.599 11.880 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.268 -9.890 13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.756 -9.420 14.147 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.465 -11.017 11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.275 -11.119 15.242 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.002 -12.860 15.372 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.458 -13.280 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.544 -14.072 13.521 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.277 -5.980 10.322 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.314 -4.591 10.742 1.00 0.00 C ATOM 1386 C LEU A 89 -12.926 -3.722 9.651 1.00 0.00 C ATOM 1387 O LEU A 89 -13.787 -2.883 9.916 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.886 -4.107 11.036 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.318 -4.821 12.276 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.810 -4.540 12.379 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -11.012 -4.316 13.553 1.00 0.00 C ATOM 0 H LEU A 89 -11.341 -6.361 10.181 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.925 -4.512 11.641 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.246 -4.298 10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.887 -3.029 11.199 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.495 -5.892 12.175 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.405 -5.044 13.256 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.309 -4.910 11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.645 -3.466 12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.598 -4.831 14.420 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.848 -3.243 13.656 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.082 -4.515 13.489 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.429 -3.903 8.434 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.883 -3.094 7.310 1.00 0.00 C ATOM 1405 C ALA A 90 -12.592 -1.637 7.655 1.00 0.00 C ATOM 1406 O ALA A 90 -13.289 -0.720 7.226 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.384 -3.302 7.062 1.00 0.00 C ATOM 0 H ALA A 90 -11.718 -4.596 8.201 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.364 -3.383 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.702 -2.689 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.574 -4.352 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.943 -3.013 7.952 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.528 -1.471 8.444 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.067 -0.164 8.904 1.00 0.00 C ATOM 1415 C VAL A 91 -9.641 -0.291 9.457 1.00 0.00 C ATOM 1416 O VAL A 91 -9.466 -0.592 10.638 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.993 0.357 10.022 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.362 1.591 10.690 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.359 0.747 9.435 1.00 0.00 C ATOM 0 H VAL A 91 -10.960 -2.247 8.783 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.081 0.533 8.066 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.127 -0.432 10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.021 1.954 11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.398 1.319 11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.220 2.375 9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.006 1.114 10.232 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.224 1.529 8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.817 -0.125 8.968 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.622 -0.070 8.657 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.214 -0.165 9.129 1.00 0.00 C ATOM 1431 C PRO A 92 -6.841 1.024 10.010 1.00 0.00 C ATOM 1432 O PRO A 92 -7.667 1.895 10.281 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.359 -0.208 7.840 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.325 -0.153 6.686 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.684 0.290 7.237 1.00 0.00 C ATOM 0 HA PRO A 92 -7.053 -1.047 9.749 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.665 0.632 7.806 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.760 -1.118 7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.974 0.546 5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.406 -1.129 6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.840 1.360 7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.505 -0.218 6.731 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.586 1.053 10.442 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.093 2.140 11.286 1.00 0.00 C ATOM 1445 C ASP A 93 -3.949 2.868 10.592 1.00 0.00 C ATOM 1446 O ASP A 93 -3.013 2.249 10.087 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.636 1.592 12.638 1.00 0.00 C ATOM 1448 CG ASP A 93 -4.393 2.744 13.606 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -4.441 3.881 13.165 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -4.164 2.474 14.773 1.00 0.00 O ATOM 0 H ASP A 93 -4.891 0.339 10.224 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.903 2.849 11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.392 0.919 13.042 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.723 1.009 12.515 1.00 0.00 H new ATOM 1455 N SER A 94 -4.050 4.191 10.548 1.00 0.00 N ATOM 1456 CA SER A 94 -3.040 5.016 9.894 1.00 0.00 C ATOM 1457 C SER A 94 -1.642 4.623 10.342 1.00 0.00 C ATOM 1458 O SER A 94 -0.686 4.687 9.567 1.00 0.00 O ATOM 1459 CB SER A 94 -3.282 6.487 10.222 1.00 0.00 C ATOM 1460 OG SER A 94 -3.246 6.665 11.633 1.00 0.00 O ATOM 0 H SER A 94 -4.822 4.717 10.958 1.00 0.00 H new ATOM 0 HA SER A 94 -3.118 4.859 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.523 7.108 9.746 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.247 6.806 9.828 1.00 0.00 H new ATOM 0 HG SER A 94 -3.399 7.609 11.848 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.530 4.199 11.584 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.251 3.774 12.115 1.00 0.00 C ATOM 1468 C LYS A 95 0.138 2.417 11.554 1.00 0.00 C ATOM 1469 O LYS A 95 1.313 2.154 11.304 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.320 3.683 13.640 1.00 0.00 C ATOM 1471 CG LYS A 95 1.097 3.599 14.229 1.00 0.00 C ATOM 1472 CD LYS A 95 1.653 5.011 14.440 1.00 0.00 C ATOM 1473 CE LYS A 95 3.067 4.937 15.019 1.00 0.00 C ATOM 1474 NZ LYS A 95 3.603 6.316 15.184 1.00 0.00 N ATOM 0 H LYS A 95 -2.306 4.140 12.243 1.00 0.00 H new ATOM 0 HA LYS A 95 0.499 4.510 11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.838 4.554 14.041 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.897 2.806 13.934 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.076 3.061 15.177 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.748 3.038 13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.667 5.550 13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.004 5.569 15.115 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.053 4.423 15.980 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.713 4.360 14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.565 6.270 15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.630 6.791 14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.990 6.852 15.831 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.854 1.553 11.366 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.593 0.218 10.857 1.00 0.00 C ATOM 1490 C CYS A 96 -0.082 0.276 9.423 1.00 0.00 C ATOM 1491 O CYS A 96 0.972 -0.274 9.102 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.879 -0.623 10.907 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.068 -1.348 12.555 1.00 0.00 S ATOM 0 H CYS A 96 -1.836 1.753 11.557 1.00 0.00 H new ATOM 0 HA CYS A 96 0.171 -0.242 11.484 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.742 -0.000 10.672 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.840 -1.411 10.155 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.157 -2.057 12.595 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.839 0.954 8.570 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.464 1.091 7.173 1.00 0.00 C ATOM 1501 C VAL A 97 0.864 1.806 7.091 1.00 0.00 C ATOM 1502 O VAL A 97 1.754 1.413 6.346 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.517 1.913 6.426 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.096 2.094 4.968 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.870 1.203 6.491 1.00 0.00 C ATOM 0 H VAL A 97 -1.713 1.415 8.822 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.392 0.102 6.721 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.604 2.893 6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.850 2.680 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.139 2.614 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.999 1.118 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.616 1.792 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.787 0.219 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.172 1.091 7.532 1.00 0.00 H new ATOM 1515 N TYR A 98 0.991 2.858 7.881 1.00 0.00 N ATOM 1516 CA TYR A 98 2.213 3.633 7.899 1.00 0.00 C ATOM 1517 C TYR A 98 3.386 2.742 8.268 1.00 0.00 C ATOM 1518 O TYR A 98 4.401 2.721 7.577 1.00 0.00 O ATOM 1519 CB TYR A 98 2.082 4.757 8.933 1.00 0.00 C ATOM 1520 CG TYR A 98 3.413 5.449 9.108 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.392 4.877 9.931 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.671 6.652 8.446 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.629 5.508 10.088 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.909 7.286 8.606 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.888 6.713 9.425 1.00 0.00 C ATOM 1526 OH TYR A 98 7.110 7.333 9.578 1.00 0.00 O ATOM 0 H TYR A 98 0.265 3.192 8.515 1.00 0.00 H new ATOM 0 HA TYR A 98 2.385 4.058 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.328 5.475 8.610 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.746 4.349 9.886 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.191 3.948 10.444 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.916 7.092 7.811 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.385 5.066 10.721 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.108 8.218 8.097 1.00 0.00 H new ATOM 0 HH TYR A 98 7.801 6.658 9.741 1.00 0.00 H new ATOM 1536 N THR A 99 3.234 2.006 9.358 1.00 0.00 N ATOM 1537 CA THR A 99 4.293 1.125 9.810 1.00 0.00 C ATOM 1538 C THR A 99 4.634 0.118 8.725 1.00 0.00 C ATOM 1539 O THR A 99 5.807 -0.151 8.465 1.00 0.00 O ATOM 1540 CB THR A 99 3.865 0.388 11.082 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.349 1.320 12.023 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.072 -0.334 11.686 1.00 0.00 C ATOM 0 H THR A 99 2.396 2.002 9.939 1.00 0.00 H new ATOM 0 HA THR A 99 5.175 1.727 10.029 1.00 0.00 H new ATOM 0 HB THR A 99 3.093 -0.341 10.835 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.393 1.459 11.856 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.767 -0.858 12.591 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.464 -1.052 10.966 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.846 0.393 11.932 1.00 0.00 H new ATOM 1550 N TYR A 100 3.606 -0.428 8.083 1.00 0.00 N ATOM 1551 CA TYR A 100 3.803 -1.400 7.021 1.00 0.00 C ATOM 1552 C TYR A 100 4.587 -0.780 5.873 1.00 0.00 C ATOM 1553 O TYR A 100 5.594 -1.321 5.416 1.00 0.00 O ATOM 1554 CB TYR A 100 2.438 -1.825 6.495 1.00 0.00 C ATOM 1555 CG TYR A 100 2.613 -2.942 5.501 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.841 -2.647 4.153 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.545 -4.271 5.928 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.999 -3.687 3.229 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.705 -5.312 5.005 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.932 -5.020 3.655 1.00 0.00 C ATOM 1561 OH TYR A 100 3.089 -6.044 2.744 1.00 0.00 O ATOM 0 H TYR A 100 2.629 -0.212 8.282 1.00 0.00 H new ATOM 0 HA TYR A 100 4.356 -2.253 7.415 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.804 -2.152 7.319 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.938 -0.979 6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.895 -1.619 3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.369 -4.495 6.970 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.173 -3.461 2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.653 -6.339 5.335 1.00 0.00 H new ATOM 0 HH TYR A 100 3.254 -6.884 3.221 1.00 0.00 H new ATOM 1571 N ILE A 101 4.099 0.372 5.423 1.00 0.00 N ATOM 1572 CA ILE A 101 4.727 1.099 4.331 1.00 0.00 C ATOM 1573 C ILE A 101 6.151 1.465 4.728 1.00 0.00 C ATOM 1574 O ILE A 101 7.075 1.394 3.918 1.00 0.00 O ATOM 1575 CB ILE A 101 3.917 2.370 4.013 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.546 1.998 3.400 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.693 3.274 3.052 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.698 1.226 2.078 1.00 0.00 C ATOM 0 H ILE A 101 3.266 0.822 5.802 1.00 0.00 H new ATOM 0 HA ILE A 101 4.752 0.473 3.439 1.00 0.00 H new ATOM 0 HB ILE A 101 3.750 2.911 4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.983 1.393 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.968 2.906 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.106 4.167 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.640 3.563 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.887 2.737 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.712 0.985 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.238 1.841 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.253 0.305 2.256 1.00 0.00 H new ATOM 1590 N GLN A 102 6.309 1.860 5.988 1.00 0.00 N ATOM 1591 CA GLN A 102 7.613 2.240 6.514 1.00 0.00 C ATOM 1592 C GLN A 102 8.646 1.161 6.224 1.00 0.00 C ATOM 1593 O GLN A 102 9.651 1.404 5.559 1.00 0.00 O ATOM 1594 CB GLN A 102 7.519 2.423 8.029 1.00 0.00 C ATOM 1595 CG GLN A 102 8.722 3.229 8.518 1.00 0.00 C ATOM 1596 CD GLN A 102 8.710 3.325 10.039 1.00 0.00 C ATOM 1597 OE1 GLN A 102 9.553 4.007 10.625 1.00 0.00 O ATOM 1598 NE2 GLN A 102 7.804 2.681 10.719 1.00 0.00 N ATOM 0 H GLN A 102 5.548 1.925 6.664 1.00 0.00 H new ATOM 0 HA GLN A 102 7.917 3.170 6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.593 2.937 8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.493 1.452 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.646 2.756 8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.700 4.228 8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.107 2.117 10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.792 2.741 11.737 1.00 0.00 H new ATOM 1607 N GLU A 103 8.396 -0.027 6.751 1.00 0.00 N ATOM 1608 CA GLU A 103 9.321 -1.130 6.554 1.00 0.00 C ATOM 1609 C GLU A 103 9.477 -1.404 5.066 1.00 0.00 C ATOM 1610 O GLU A 103 10.588 -1.575 4.561 1.00 0.00 O ATOM 1611 CB GLU A 103 8.802 -2.378 7.272 1.00 0.00 C ATOM 1612 CG GLU A 103 8.908 -2.179 8.785 1.00 0.00 C ATOM 1613 CD GLU A 103 8.336 -3.391 9.514 1.00 0.00 C ATOM 1614 OE1 GLU A 103 7.251 -3.812 9.157 1.00 0.00 O ATOM 1615 OE2 GLU A 103 8.996 -3.884 10.414 1.00 0.00 O ATOM 0 H GLU A 103 7.573 -0.250 7.310 1.00 0.00 H new ATOM 0 HA GLU A 103 10.293 -0.867 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.766 -2.567 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.379 -3.251 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.950 -2.033 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.368 -1.279 9.080 1.00 0.00 H new ATOM 1622 N LEU A 104 8.352 -1.448 4.369 1.00 0.00 N ATOM 1623 CA LEU A 104 8.350 -1.712 2.939 1.00 0.00 C ATOM 1624 C LEU A 104 9.162 -0.659 2.198 1.00 0.00 C ATOM 1625 O LEU A 104 9.982 -0.981 1.344 1.00 0.00 O ATOM 1626 CB LEU A 104 6.908 -1.639 2.454 1.00 0.00 C ATOM 1627 CG LEU A 104 6.789 -2.052 0.979 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.950 -3.572 0.834 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.411 -1.631 0.455 1.00 0.00 C ATOM 0 H LEU A 104 7.426 -1.304 4.772 1.00 0.00 H new ATOM 0 HA LEU A 104 8.788 -2.692 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.284 -2.289 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.531 -0.624 2.580 1.00 0.00 H new ATOM 0 HG LEU A 104 7.575 -1.562 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.863 -3.848 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.929 -3.872 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.172 -4.077 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.316 -1.920 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.634 -2.123 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.302 -0.550 0.545 1.00 0.00 H new ATOM 1641 N TYR A 105 8.925 0.598 2.540 1.00 0.00 N ATOM 1642 CA TYR A 105 9.628 1.703 1.904 1.00 0.00 C ATOM 1643 C TYR A 105 11.120 1.468 1.980 1.00 0.00 C ATOM 1644 O TYR A 105 11.849 1.636 1.001 1.00 0.00 O ATOM 1645 CB TYR A 105 9.290 2.991 2.650 1.00 0.00 C ATOM 1646 CG TYR A 105 9.976 4.164 1.997 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.400 4.768 0.877 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.184 4.648 2.514 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.030 5.860 0.272 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.815 5.739 1.908 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.237 6.345 0.786 1.00 0.00 C ATOM 1652 OH TYR A 105 11.857 7.423 0.189 1.00 0.00 O ATOM 0 H TYR A 105 8.252 0.879 3.253 1.00 0.00 H new ATOM 0 HA TYR A 105 9.326 1.778 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.211 3.146 2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.603 2.910 3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.469 4.392 0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.628 4.179 3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.584 6.329 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.747 6.114 2.305 1.00 0.00 H new ATOM 0 HH TYR A 105 12.684 7.633 0.671 1.00 0.00 H new ATOM 1662 N ARG A 106 11.561 1.112 3.164 1.00 0.00 N ATOM 1663 CA ARG A 106 12.969 0.882 3.405 1.00 0.00 C ATOM 1664 C ARG A 106 13.493 -0.253 2.533 1.00 0.00 C ATOM 1665 O ARG A 106 14.580 -0.151 1.965 1.00 0.00 O ATOM 1666 CB ARG A 106 13.162 0.575 4.885 1.00 0.00 C ATOM 1667 CG ARG A 106 12.934 1.867 5.674 1.00 0.00 C ATOM 1668 CD ARG A 106 13.088 1.600 7.166 1.00 0.00 C ATOM 1669 NE ARG A 106 12.830 2.820 7.920 1.00 0.00 N ATOM 1670 CZ ARG A 106 12.868 2.824 9.246 1.00 0.00 C ATOM 1671 NH1 ARG A 106 11.927 2.232 9.927 1.00 0.00 N ATOM 1672 NH2 ARG A 106 13.851 3.416 9.865 1.00 0.00 N ATOM 0 H ARG A 106 10.964 0.975 3.979 1.00 0.00 H new ATOM 0 HA ARG A 106 13.538 1.773 3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.463 -0.196 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.166 0.191 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.648 2.627 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.938 2.258 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.396 0.817 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.094 1.238 7.377 1.00 0.00 H new ATOM 0 HE ARG A 106 12.617 3.684 7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.161 1.766 9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.956 2.235 10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.588 3.875 9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.883 3.421 10.884 1.00 0.00 H new ATOM 1686 N SER A 107 12.717 -1.324 2.403 1.00 0.00 N ATOM 1687 CA SER A 107 13.148 -2.438 1.569 1.00 0.00 C ATOM 1688 C SER A 107 13.366 -1.959 0.132 1.00 0.00 C ATOM 1689 O SER A 107 14.309 -2.386 -0.534 1.00 0.00 O ATOM 1690 CB SER A 107 12.102 -3.555 1.588 1.00 0.00 C ATOM 1691 OG SER A 107 10.927 -3.110 0.924 1.00 0.00 O ATOM 0 H SER A 107 11.809 -1.443 2.852 1.00 0.00 H new ATOM 0 HA SER A 107 14.086 -2.828 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.495 -4.446 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.869 -3.833 2.616 1.00 0.00 H new ATOM 0 HG SER A 107 10.652 -2.244 1.291 1.00 0.00 H new ATOM 1697 N LEU A 108 12.491 -1.065 -0.336 1.00 0.00 N ATOM 1698 CA LEU A 108 12.595 -0.529 -1.691 1.00 0.00 C ATOM 1699 C LEU A 108 13.884 0.266 -1.862 1.00 0.00 C ATOM 1700 O LEU A 108 14.522 0.212 -2.913 1.00 0.00 O ATOM 1701 CB LEU A 108 11.425 0.408 -1.991 1.00 0.00 C ATOM 1702 CG LEU A 108 10.087 -0.339 -1.915 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.945 0.654 -2.168 1.00 0.00 C ATOM 1704 CD2 LEU A 108 10.037 -1.455 -2.967 1.00 0.00 C ATOM 0 H LEU A 108 11.706 -0.700 0.203 1.00 0.00 H new ATOM 0 HA LEU A 108 12.585 -1.377 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.425 1.234 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.547 0.842 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 108 9.982 -0.786 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.990 0.131 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.971 1.439 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.062 1.099 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.082 -1.975 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.146 -1.023 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.848 -2.161 -2.788 1.00 0.00 H new ATOM 1716 N VAL A 109 14.243 1.030 -0.837 1.00 0.00 N ATOM 1717 CA VAL A 109 15.438 1.853 -0.900 1.00 0.00 C ATOM 1718 C VAL A 109 16.676 0.981 -1.070 1.00 0.00 C ATOM 1719 O VAL A 109 17.529 1.259 -1.913 1.00 0.00 O ATOM 1720 CB VAL A 109 15.547 2.701 0.369 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.897 3.418 0.404 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.425 3.741 0.371 1.00 0.00 C ATOM 0 H VAL A 109 13.726 1.095 0.040 1.00 0.00 H new ATOM 0 HA VAL A 109 15.369 2.516 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 109 15.462 2.055 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.966 4.019 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.700 2.682 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.988 4.065 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.495 4.350 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.520 4.380 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.460 3.235 0.349 1.00 0.00 H new ATOM 1732 N GLN A 110 16.764 -0.081 -0.278 1.00 0.00 N ATOM 1733 CA GLN A 110 17.906 -0.977 -0.380 1.00 0.00 C ATOM 1734 C GLN A 110 17.920 -1.609 -1.761 1.00 0.00 C ATOM 1735 O GLN A 110 18.929 -1.585 -2.464 1.00 0.00 O ATOM 1736 CB GLN A 110 17.823 -2.080 0.689 1.00 0.00 C ATOM 1737 CG GLN A 110 17.227 -1.522 2.008 1.00 0.00 C ATOM 1738 CD GLN A 110 17.962 -2.088 3.224 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.712 -3.221 3.633 1.00 0.00 O ATOM 1740 NE2 GLN A 110 18.860 -1.356 3.828 1.00 0.00 N ATOM 0 H GLN A 110 16.074 -0.338 0.427 1.00 0.00 H new ATOM 0 HA GLN A 110 18.821 -0.406 -0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.206 -2.901 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.817 -2.487 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.296 -0.434 2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.168 -1.775 2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.066 -0.417 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.355 -1.724 4.640 1.00 0.00 H new ATOM 1749 N LYS A 111 16.780 -2.174 -2.137 1.00 0.00 N ATOM 1750 CA LYS A 111 16.652 -2.819 -3.441 1.00 0.00 C ATOM 1751 C LYS A 111 16.974 -1.823 -4.557 1.00 0.00 C ATOM 1752 O LYS A 111 17.362 -2.215 -5.657 1.00 0.00 O ATOM 1753 CB LYS A 111 15.226 -3.372 -3.630 1.00 0.00 C ATOM 1754 CG LYS A 111 14.994 -4.601 -2.733 1.00 0.00 C ATOM 1755 CD LYS A 111 15.574 -5.861 -3.399 1.00 0.00 C ATOM 1756 CE LYS A 111 15.254 -7.093 -2.547 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.871 -8.304 -3.163 1.00 0.00 N ATOM 0 H LYS A 111 15.936 -2.200 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 111 17.360 -3.647 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.496 -2.598 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.072 -3.644 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.463 -4.445 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.927 -4.734 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.156 -5.980 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.653 -5.758 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.633 -6.955 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.175 -7.223 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.652 -9.139 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.489 -8.439 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.902 -8.180 -3.215 1.00 0.00 H new ATOM 1771 N GLY A 112 16.797 -0.534 -4.269 1.00 0.00 N ATOM 1772 CA GLY A 112 17.058 0.509 -5.263 1.00 0.00 C ATOM 1773 C GLY A 112 15.868 0.627 -6.200 1.00 0.00 C ATOM 1774 O GLY A 112 15.971 1.148 -7.311 1.00 0.00 O ATOM 0 H GLY A 112 16.477 -0.188 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.239 1.462 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.958 0.269 -5.830 1.00 0.00 H new ATOM 1778 N LEU A 113 14.735 0.146 -5.709 1.00 0.00 N ATOM 1779 CA LEU A 113 13.480 0.184 -6.447 1.00 0.00 C ATOM 1780 C LEU A 113 12.930 1.610 -6.522 1.00 0.00 C ATOM 1781 O LEU A 113 12.464 2.055 -7.571 1.00 0.00 O ATOM 1782 CB LEU A 113 12.475 -0.733 -5.739 1.00 0.00 C ATOM 1783 CG LEU A 113 12.685 -2.197 -6.165 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.913 -3.110 -5.205 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.177 -2.414 -7.608 1.00 0.00 C ATOM 0 H LEU A 113 14.660 -0.282 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 113 13.650 -0.158 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.590 -0.643 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.458 -0.421 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 113 13.749 -2.433 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.055 -4.150 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.282 -2.966 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.852 -2.864 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.332 -3.454 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.114 -2.178 -7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.726 -1.763 -8.289 1.00 0.00 H new ATOM 1797 N VAL A 114 12.973 2.311 -5.393 1.00 0.00 N ATOM 1798 CA VAL A 114 12.466 3.682 -5.332 1.00 0.00 C ATOM 1799 C VAL A 114 13.309 4.623 -6.199 1.00 0.00 C ATOM 1800 O VAL A 114 12.799 5.607 -6.732 1.00 0.00 O ATOM 1801 CB VAL A 114 12.412 4.154 -3.856 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.562 5.682 -3.754 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.065 3.737 -3.224 1.00 0.00 C ATOM 0 H VAL A 114 13.350 1.958 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 114 11.454 3.704 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 114 13.239 3.686 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.520 5.983 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.519 5.983 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.753 6.164 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.031 4.070 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.246 4.194 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.967 2.652 -3.260 1.00 0.00 H new ATOM 1813 N LYS A 115 14.588 4.311 -6.344 1.00 0.00 N ATOM 1814 CA LYS A 115 15.490 5.133 -7.160 1.00 0.00 C ATOM 1815 C LYS A 115 15.530 4.609 -8.592 1.00 0.00 C ATOM 1816 O LYS A 115 16.598 4.314 -9.130 1.00 0.00 O ATOM 1817 CB LYS A 115 16.899 5.109 -6.556 1.00 0.00 C ATOM 1818 CG LYS A 115 16.882 5.783 -5.170 1.00 0.00 C ATOM 1819 CD LYS A 115 17.093 7.303 -5.314 1.00 0.00 C ATOM 1820 CE LYS A 115 18.593 7.632 -5.356 1.00 0.00 C ATOM 1821 NZ LYS A 115 18.784 9.029 -5.833 1.00 0.00 N ATOM 0 H LYS A 115 15.030 3.500 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 115 15.121 6.159 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.249 4.081 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.596 5.627 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.932 5.586 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.664 5.358 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.610 7.659 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.623 7.823 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.030 7.513 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.110 6.937 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.800 9.250 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 18.382 9.128 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.304 9.686 -5.185 1.00 0.00 H new ATOM 1835 N THR A 116 14.350 4.484 -9.201 1.00 0.00 N ATOM 1836 CA THR A 116 14.246 3.983 -10.572 1.00 0.00 C ATOM 1837 C THR A 116 14.191 5.117 -11.579 1.00 0.00 C ATOM 1838 O THR A 116 14.764 5.026 -12.664 1.00 0.00 O ATOM 1839 CB THR A 116 12.991 3.115 -10.716 1.00 0.00 C ATOM 1840 OG1 THR A 116 13.105 1.978 -9.872 1.00 0.00 O ATOM 1841 CG2 THR A 116 12.838 2.661 -12.169 1.00 0.00 C ATOM 0 H THR A 116 13.457 4.721 -8.769 1.00 0.00 H new ATOM 0 HA THR A 116 15.137 3.389 -10.776 1.00 0.00 H new ATOM 0 HB THR A 116 12.115 3.697 -10.429 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.174 2.269 -8.939 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.944 2.044 -12.265 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.748 3.534 -12.815 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.713 2.081 -12.463 1.00 0.00 H new ATOM 1849 N LYS A 117 13.494 6.178 -11.215 1.00 0.00 N ATOM 1850 CA LYS A 117 13.347 7.342 -12.092 1.00 0.00 C ATOM 1851 C LYS A 117 13.312 8.644 -11.297 1.00 0.00 C ATOM 1852 O LYS A 117 12.983 8.651 -10.115 1.00 0.00 O ATOM 1853 CB LYS A 117 12.053 7.209 -12.902 1.00 0.00 C ATOM 1854 CG LYS A 117 12.298 6.324 -14.132 1.00 0.00 C ATOM 1855 CD LYS A 117 12.857 7.184 -15.276 1.00 0.00 C ATOM 1856 CE LYS A 117 11.697 7.781 -16.075 1.00 0.00 C ATOM 1857 NZ LYS A 117 12.231 8.726 -17.092 1.00 0.00 N ATOM 0 H LYS A 117 13.017 6.265 -10.318 1.00 0.00 H new ATOM 0 HA LYS A 117 14.210 7.374 -12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.268 6.776 -12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.706 8.194 -13.215 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.999 5.526 -13.886 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.368 5.847 -14.442 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.484 7.980 -14.875 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.488 6.578 -15.927 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.130 6.987 -16.562 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.010 8.299 -15.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.443 9.132 -17.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.753 9.489 -16.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.870 8.218 -17.736 1.00 0.00 H new ATOM 1871 N LYS A 118 13.635 9.753 -11.962 1.00 0.00 N ATOM 1872 CA LYS A 118 13.617 11.054 -11.307 1.00 0.00 C ATOM 1873 C LYS A 118 12.173 11.527 -11.135 1.00 0.00 C ATOM 1874 O LYS A 118 11.268 11.061 -11.832 1.00 0.00 O ATOM 1875 CB LYS A 118 14.405 12.073 -12.143 1.00 0.00 C ATOM 1876 CG LYS A 118 15.875 11.635 -12.255 1.00 0.00 C ATOM 1877 CD LYS A 118 16.649 12.656 -13.104 1.00 0.00 C ATOM 1878 CE LYS A 118 18.115 12.228 -13.235 1.00 0.00 C ATOM 1879 NZ LYS A 118 18.831 13.186 -14.125 1.00 0.00 N ATOM 0 H LYS A 118 13.909 9.774 -12.944 1.00 0.00 H new ATOM 0 HA LYS A 118 14.083 10.965 -10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.965 12.158 -13.137 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.345 13.059 -11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.320 11.559 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.938 10.646 -12.709 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.196 12.737 -14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.590 13.643 -12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.588 12.203 -12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.176 11.219 -13.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.826 12.898 -14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.384 13.188 -15.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.783 14.141 -13.717 1.00 0.00 H new ATOM 1893 N LYS A 119 11.952 12.446 -10.196 1.00 0.00 N ATOM 1894 CA LYS A 119 10.606 12.962 -9.940 1.00 0.00 C ATOM 1895 C LYS A 119 10.470 14.382 -10.481 1.00 0.00 C ATOM 1896 O LYS A 119 11.355 15.180 -10.222 1.00 0.00 O ATOM 1897 CB LYS A 119 10.321 12.959 -8.436 1.00 0.00 C ATOM 1898 CG LYS A 119 10.137 11.520 -7.944 1.00 0.00 C ATOM 1899 CD LYS A 119 9.986 11.526 -6.418 1.00 0.00 C ATOM 1900 CE LYS A 119 8.758 12.354 -6.019 1.00 0.00 C ATOM 1901 NZ LYS A 119 9.159 13.779 -5.845 1.00 0.00 N ATOM 1902 OXT LYS A 119 9.482 14.649 -11.146 1.00 0.00 O ATOM 0 H LYS A 119 12.680 12.846 -9.604 1.00 0.00 H new ATOM 0 HA LYS A 119 9.887 12.318 -10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.143 13.434 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.424 13.542 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.257 11.074 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.993 10.911 -8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.883 10.505 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.882 11.942 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.986 12.272 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.331 11.969 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.942 14.085 -4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.180 13.876 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.635 14.372 -6.520 1.00 0.00 H new TER 1916 LYS A 119