USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 965 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 96 MET CE :methyl -125:sc= 0 (180deg=-2.39!) USER MOD Set 1.2: A 107 THR OG1 : rot -23:sc= 0.345 USER MOD Set 2.1: A 15 TYR OH : rot -148:sc= 0.254 USER MOD Set 2.2: A 46 SER OG : rot -78:sc= 1.46 USER MOD Set 2.3: A 98 GLN : amide:sc= 0 K(o=1.7,f=-0.77) USER MOD Set 3.1: A 18 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.3) USER MOD Set 3.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 69 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.5) USER MOD Set 4.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 55 TYR OH : rot -140:sc= 0.248 USER MOD Set 5.2: A 59 CYS SG : rot -26:sc= -2.43! USER MOD Single : A 1 SER N :NH3+ 167:sc= 1.26 (180deg=1.21) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -128:sc= 0 (180deg=-0.477) USER MOD Single : A 3 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0114 F(o=-0.85,f=-0.011) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= -0.852 (180deg=-2.52!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= -0.0273 (180deg=-0.205) USER MOD Single : A 26 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.13) USER MOD Single : A 28 SER OG : rot 170:sc= 0.00221 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= -0.007 (180deg=-0.0869) USER MOD Single : A 34 ASN : amide:sc= -0.282 K(o=-0.28,f=-4.9!) USER MOD Single : A 43 TYR OH : rot -90:sc= -0.942 USER MOD Single : A 44 SER OG : rot 79:sc= 0.598 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0.771 (180deg=0.771) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= -2.11! (180deg=-2.26!) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0528 F(o=-1.6!,f=-0.053) USER MOD Single : A 73 TYR OH : rot -140:sc= 0.541 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 81 SER OG : rot 86:sc= 0.0121 USER MOD Single : A 85 SER OG : rot 77:sc= 0.403 USER MOD Single : A 86 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.74) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.641 USER MOD Single : A 92 TYR OH : rot -85:sc= 0.471 USER MOD Single : A 94 TYR OH : rot 54:sc= 0.0285 USER MOD Single : A 99 SER OG : rot 150:sc= 0.672 USER MOD Single : A 102 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.3!) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -3.67! C(o=-3.7!,f=-7.9!) USER MOD Single : A 112 ASN : amide:sc= -0.368 K(o=-0.37,f=-3.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.281 16.859 -4.838 1.00 0.00 N ATOM 2 CA SER A 1 4.354 16.315 -6.209 1.00 0.00 C ATOM 3 C SER A 1 4.924 14.896 -6.174 1.00 0.00 C ATOM 4 O SER A 1 5.014 14.287 -5.107 1.00 0.00 O ATOM 5 CB SER A 1 5.217 17.238 -7.077 1.00 0.00 C ATOM 6 OG SER A 1 4.678 18.552 -7.112 1.00 0.00 O ATOM 0 H1 SER A 1 4.106 17.883 -4.880 1.00 0.00 H new ATOM 0 H2 SER A 1 3.506 16.396 -4.322 1.00 0.00 H new ATOM 0 H3 SER A 1 5.180 16.681 -4.346 1.00 0.00 H new ATOM 0 HA SER A 1 3.355 16.267 -6.643 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.233 17.268 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.278 16.839 -8.089 1.00 0.00 H new ATOM 0 HG SER A 1 5.246 19.124 -7.670 1.00 0.00 H new ATOM 14 N MET A 2 5.301 14.367 -7.336 1.00 0.00 N ATOM 15 CA MET A 2 5.857 13.017 -7.418 1.00 0.00 C ATOM 16 C MET A 2 7.351 13.029 -7.107 1.00 0.00 C ATOM 17 O MET A 2 7.910 12.017 -6.692 1.00 0.00 O ATOM 18 CB MET A 2 5.616 12.416 -8.813 1.00 0.00 C ATOM 19 CG MET A 2 4.148 12.164 -9.130 1.00 0.00 C ATOM 20 SD MET A 2 3.384 10.998 -7.984 1.00 0.00 S ATOM 21 CE MET A 2 1.722 10.898 -8.648 1.00 0.00 C ATOM 0 H MET A 2 5.232 14.850 -8.232 1.00 0.00 H new ATOM 0 HA MET A 2 5.351 12.398 -6.677 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.030 13.089 -9.564 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.161 11.476 -8.892 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.605 13.109 -9.098 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.060 11.780 -10.146 1.00 0.00 H new ATOM 0 HE1 MET A 2 1.001 11.083 -7.852 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.598 11.645 -9.432 1.00 0.00 H new ATOM 0 HE3 MET A 2 1.556 9.904 -9.064 1.00 0.00 H new ATOM 31 N ASN A 3 7.984 14.190 -7.289 1.00 0.00 N ATOM 32 CA ASN A 3 9.433 14.332 -7.100 1.00 0.00 C ATOM 33 C ASN A 3 9.867 13.854 -5.712 1.00 0.00 C ATOM 34 O ASN A 3 10.948 13.279 -5.550 1.00 0.00 O ATOM 35 CB ASN A 3 9.870 15.789 -7.303 1.00 0.00 C ATOM 36 CG ASN A 3 11.384 15.961 -7.263 1.00 0.00 C ATOM 37 OD1 ASN A 3 12.113 15.026 -7.858 1.00 0.00 O flip ATOM 38 ND2 ASN A 3 11.893 16.949 -6.733 1.00 0.00 N flip ATOM 0 H ASN A 3 7.514 15.051 -7.569 1.00 0.00 H new ATOM 0 HA ASN A 3 9.918 13.706 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.493 16.147 -8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.417 16.411 -6.530 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.302 17.649 -6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.906 17.068 -6.743 1.00 0.00 H new ATOM 45 N GLU A 4 9.011 14.087 -4.720 1.00 0.00 N ATOM 46 CA GLU A 4 9.277 13.671 -3.341 1.00 0.00 C ATOM 47 C GLU A 4 9.563 12.169 -3.271 1.00 0.00 C ATOM 48 O GLU A 4 10.368 11.716 -2.457 1.00 0.00 O ATOM 49 CB GLU A 4 8.085 14.029 -2.435 1.00 0.00 C ATOM 50 CG GLU A 4 7.949 15.522 -2.124 1.00 0.00 C ATOM 51 CD GLU A 4 7.898 16.398 -3.368 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.907 16.318 -4.122 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.850 17.175 -3.593 1.00 0.00 O ATOM 0 H GLU A 4 8.119 14.566 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 4 10.160 14.204 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.167 13.685 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.181 13.483 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.044 15.682 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.789 15.834 -1.503 1.00 0.00 H new ATOM 60 N LEU A 5 8.901 11.413 -4.139 1.00 0.00 N ATOM 61 CA LEU A 5 9.065 9.962 -4.203 1.00 0.00 C ATOM 62 C LEU A 5 9.991 9.590 -5.368 1.00 0.00 C ATOM 63 O LEU A 5 10.611 8.530 -5.375 1.00 0.00 O ATOM 64 CB LEU A 5 7.674 9.308 -4.342 1.00 0.00 C ATOM 65 CG LEU A 5 7.634 7.764 -4.381 1.00 0.00 C ATOM 66 CD1 LEU A 5 6.359 7.241 -3.717 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.720 7.250 -5.819 1.00 0.00 C ATOM 0 H LEU A 5 8.237 11.785 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 5 9.530 9.592 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.056 9.643 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.211 9.684 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 5 8.498 7.395 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.350 6.152 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.329 7.568 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.488 7.630 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.690 6.160 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.878 7.636 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.653 7.587 -6.271 1.00 0.00 H new ATOM 79 N GLU A 6 10.094 10.501 -6.330 1.00 0.00 N ATOM 80 CA GLU A 6 10.911 10.312 -7.532 1.00 0.00 C ATOM 81 C GLU A 6 12.397 10.555 -7.233 1.00 0.00 C ATOM 82 O GLU A 6 13.264 10.174 -8.021 1.00 0.00 O ATOM 83 CB GLU A 6 10.424 11.283 -8.617 1.00 0.00 C ATOM 84 CG GLU A 6 11.210 11.246 -9.923 1.00 0.00 C ATOM 85 CD GLU A 6 10.929 12.460 -10.792 1.00 0.00 C ATOM 86 OE1 GLU A 6 11.511 13.532 -10.518 1.00 0.00 O ATOM 87 OE2 GLU A 6 10.116 12.358 -11.738 1.00 0.00 O ATOM 0 H GLU A 6 9.611 11.399 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 6 10.807 9.283 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.379 11.064 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.461 12.297 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.276 11.197 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.956 10.340 -10.473 1.00 0.00 H new ATOM 94 N ALA A 7 12.658 11.189 -6.082 1.00 0.00 N ATOM 95 CA ALA A 7 14.008 11.588 -5.647 1.00 0.00 C ATOM 96 C ALA A 7 15.132 10.693 -6.196 1.00 0.00 C ATOM 97 O ALA A 7 15.995 11.164 -6.942 1.00 0.00 O ATOM 98 CB ALA A 7 14.062 11.624 -4.122 1.00 0.00 C ATOM 0 H ALA A 7 11.929 11.444 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 7 14.188 12.580 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.061 11.919 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.333 12.344 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.831 10.635 -3.726 1.00 0.00 H new ATOM 104 N GLN A 8 15.122 9.410 -5.832 1.00 0.00 N ATOM 105 CA GLN A 8 16.184 8.492 -6.257 1.00 0.00 C ATOM 106 C GLN A 8 15.923 7.992 -7.681 1.00 0.00 C ATOM 107 O GLN A 8 14.787 7.676 -8.039 1.00 0.00 O ATOM 108 CB GLN A 8 16.281 7.305 -5.285 1.00 0.00 C ATOM 109 CG GLN A 8 16.572 7.710 -3.842 1.00 0.00 C ATOM 110 CD GLN A 8 17.937 8.361 -3.660 1.00 0.00 C ATOM 111 OE1 GLN A 8 18.917 7.934 -4.443 1.00 0.00 O flip ATOM 112 NE2 GLN A 8 18.116 9.224 -2.799 1.00 0.00 N flip ATOM 0 H GLN A 8 14.400 8.985 -5.251 1.00 0.00 H new ATOM 0 HA GLN A 8 17.132 9.031 -6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.345 6.747 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.065 6.630 -5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.800 8.401 -3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.511 6.827 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.339 9.529 -2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.042 9.633 -2.672 1.00 0.00 H new ATOM 121 N THR A 9 16.986 7.867 -8.470 1.00 0.00 N ATOM 122 CA THR A 9 16.856 7.574 -9.896 1.00 0.00 C ATOM 123 C THR A 9 16.903 6.073 -10.187 1.00 0.00 C ATOM 124 O THR A 9 17.576 5.314 -9.491 1.00 0.00 O ATOM 125 CB THR A 9 17.969 8.283 -10.704 1.00 0.00 C ATOM 126 OG1 THR A 9 17.994 9.683 -10.383 1.00 0.00 O ATOM 127 CG2 THR A 9 17.766 8.109 -12.208 1.00 0.00 C ATOM 0 H THR A 9 17.949 7.964 -8.147 1.00 0.00 H new ATOM 0 HA THR A 9 15.880 7.949 -10.202 1.00 0.00 H new ATOM 0 HB THR A 9 18.920 7.825 -10.432 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.702 10.124 -10.897 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.566 8.620 -12.745 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.782 7.048 -12.457 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.805 8.535 -12.497 1.00 0.00 H new ATOM 135 N ARG A 10 16.129 5.664 -11.200 1.00 0.00 N ATOM 136 CA ARG A 10 16.130 4.295 -11.743 1.00 0.00 C ATOM 137 C ARG A 10 15.781 3.219 -10.707 1.00 0.00 C ATOM 138 O ARG A 10 15.791 2.031 -11.023 1.00 0.00 O ATOM 139 CB ARG A 10 17.499 3.993 -12.377 1.00 0.00 C ATOM 140 CG ARG A 10 17.683 4.581 -13.776 1.00 0.00 C ATOM 141 CD ARG A 10 17.017 3.714 -14.838 1.00 0.00 C ATOM 142 NE ARG A 10 17.588 2.365 -14.851 1.00 0.00 N ATOM 143 CZ ARG A 10 17.224 1.394 -15.688 1.00 0.00 C ATOM 144 NH1 ARG A 10 16.275 1.601 -16.592 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.811 0.210 -15.613 1.00 0.00 N ATOM 0 H ARG A 10 15.473 6.284 -11.675 1.00 0.00 H new ATOM 0 HA ARG A 10 15.342 4.257 -12.496 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.282 4.381 -11.726 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.633 2.912 -12.428 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.261 5.586 -13.808 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.747 4.675 -13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.946 3.657 -14.646 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.141 4.174 -15.818 1.00 0.00 H new ATOM 0 HE ARG A 10 18.317 2.154 -14.170 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.817 2.510 -16.651 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.004 0.851 -17.228 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.538 0.044 -14.917 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.536 -0.537 -16.251 1.00 0.00 H new ATOM 159 N VAL A 11 15.449 3.627 -9.489 1.00 0.00 N ATOM 160 CA VAL A 11 14.883 2.714 -8.503 1.00 0.00 C ATOM 161 C VAL A 11 13.436 3.099 -8.225 1.00 0.00 C ATOM 162 O VAL A 11 12.548 2.250 -8.161 1.00 0.00 O ATOM 163 CB VAL A 11 15.707 2.686 -7.187 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.752 4.063 -6.529 1.00 0.00 C ATOM 165 CG2 VAL A 11 15.154 1.637 -6.222 1.00 0.00 C ATOM 0 H VAL A 11 15.562 4.586 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 11 14.920 1.706 -8.917 1.00 0.00 H new ATOM 0 HB VAL A 11 16.730 2.409 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.336 4.008 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.214 4.777 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.738 4.388 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.747 1.636 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.117 1.874 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.203 0.653 -6.688 1.00 0.00 H new ATOM 175 N LYS A 12 13.208 4.403 -8.083 1.00 0.00 N ATOM 176 CA LYS A 12 11.876 4.926 -7.824 1.00 0.00 C ATOM 177 C LYS A 12 11.095 5.005 -9.134 1.00 0.00 C ATOM 178 O LYS A 12 9.939 4.597 -9.208 1.00 0.00 O ATOM 179 CB LYS A 12 11.973 6.319 -7.181 1.00 0.00 C ATOM 180 CG LYS A 12 12.797 6.383 -5.886 1.00 0.00 C ATOM 181 CD LYS A 12 12.031 5.881 -4.653 1.00 0.00 C ATOM 182 CE LYS A 12 12.108 4.368 -4.476 1.00 0.00 C ATOM 183 NZ LYS A 12 13.463 3.911 -4.067 1.00 0.00 N ATOM 0 H LYS A 12 13.934 5.116 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 12 11.355 4.260 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.409 7.007 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.965 6.676 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.702 5.788 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.113 7.412 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.430 6.366 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.986 6.178 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.381 4.056 -3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.831 3.881 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.699 3.031 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.163 4.643 -4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.476 3.739 -3.041 1.00 0.00 H new ATOM 197 N LEU A 13 11.775 5.493 -10.174 1.00 0.00 N ATOM 198 CA LEU A 13 11.165 5.742 -11.484 1.00 0.00 C ATOM 199 C LEU A 13 10.478 4.496 -12.053 1.00 0.00 C ATOM 200 O LEU A 13 9.370 4.588 -12.577 1.00 0.00 O ATOM 201 CB LEU A 13 12.221 6.260 -12.483 1.00 0.00 C ATOM 202 CG LEU A 13 12.669 7.725 -12.293 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.288 7.948 -10.917 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.647 8.135 -13.395 1.00 0.00 C ATOM 0 H LEU A 13 12.767 5.728 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 13 10.399 6.503 -11.337 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.101 5.620 -12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.823 6.150 -13.492 1.00 0.00 H new ATOM 0 HG LEU A 13 11.781 8.354 -12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.592 8.990 -10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.556 7.709 -10.146 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.160 7.304 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.952 9.171 -13.244 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.525 7.490 -13.361 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.162 8.037 -14.366 1.00 0.00 H new ATOM 216 N ASN A 14 11.132 3.339 -11.943 1.00 0.00 N ATOM 217 CA ASN A 14 10.597 2.094 -12.510 1.00 0.00 C ATOM 218 C ASN A 14 9.283 1.703 -11.832 1.00 0.00 C ATOM 219 O ASN A 14 8.254 1.506 -12.495 1.00 0.00 O ATOM 220 CB ASN A 14 11.631 0.965 -12.368 1.00 0.00 C ATOM 221 CG ASN A 14 11.099 -0.391 -12.813 1.00 0.00 C ATOM 222 OD1 ASN A 14 10.587 -1.167 -12.004 1.00 0.00 O ATOM 223 ND2 ASN A 14 11.210 -0.684 -14.099 1.00 0.00 N ATOM 0 H ASN A 14 12.029 3.235 -11.469 1.00 0.00 H new ATOM 0 HA ASN A 14 10.393 2.257 -13.568 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.514 1.213 -12.956 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.949 0.900 -11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.866 -1.578 -14.450 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.640 -0.016 -14.739 1.00 0.00 H new ATOM 230 N TYR A 15 9.326 1.611 -10.508 1.00 0.00 N ATOM 231 CA TYR A 15 8.154 1.268 -9.709 1.00 0.00 C ATOM 232 C TYR A 15 7.059 2.311 -9.905 1.00 0.00 C ATOM 233 O TYR A 15 5.890 1.971 -10.037 1.00 0.00 O ATOM 234 CB TYR A 15 8.555 1.184 -8.232 1.00 0.00 C ATOM 235 CG TYR A 15 7.467 0.699 -7.276 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.453 1.550 -6.831 1.00 0.00 C ATOM 237 CD2 TYR A 15 7.474 -0.605 -6.797 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.484 1.109 -5.948 1.00 0.00 C ATOM 239 CE2 TYR A 15 6.511 -1.050 -5.912 1.00 0.00 C ATOM 240 CZ TYR A 15 5.517 -0.190 -5.492 1.00 0.00 C ATOM 241 OH TYR A 15 4.556 -0.634 -4.609 1.00 0.00 O ATOM 0 H TYR A 15 10.171 1.771 -9.959 1.00 0.00 H new ATOM 0 HA TYR A 15 7.766 0.301 -10.031 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.413 0.517 -8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.884 2.171 -7.907 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.425 2.571 -7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 15 8.248 -1.284 -7.123 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.705 1.780 -5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.536 -2.067 -5.550 1.00 0.00 H new ATOM 0 HH TYR A 15 4.946 -1.306 -4.012 1.00 0.00 H new ATOM 251 N LEU A 16 7.459 3.582 -9.933 1.00 0.00 N ATOM 252 CA LEU A 16 6.519 4.689 -10.113 1.00 0.00 C ATOM 253 C LEU A 16 5.833 4.547 -11.471 1.00 0.00 C ATOM 254 O LEU A 16 4.621 4.711 -11.586 1.00 0.00 O ATOM 255 CB LEU A 16 7.263 6.040 -10.005 1.00 0.00 C ATOM 256 CG LEU A 16 6.406 7.282 -9.663 1.00 0.00 C ATOM 257 CD1 LEU A 16 7.302 8.487 -9.383 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.413 7.615 -10.779 1.00 0.00 C ATOM 0 H LEU A 16 8.432 3.872 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 16 5.761 4.662 -9.331 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.038 5.942 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.769 6.226 -10.953 1.00 0.00 H new ATOM 0 HG LEU A 16 5.832 7.044 -8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.684 9.352 -9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.957 8.265 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.905 8.704 -10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.831 8.493 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.957 7.819 -11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.742 6.770 -10.933 1.00 0.00 H new ATOM 270 N ASP A 17 6.625 4.209 -12.483 1.00 0.00 N ATOM 271 CA ASP A 17 6.127 4.027 -13.845 1.00 0.00 C ATOM 272 C ASP A 17 5.032 2.965 -13.881 1.00 0.00 C ATOM 273 O ASP A 17 3.926 3.213 -14.366 1.00 0.00 O ATOM 274 CB ASP A 17 7.281 3.627 -14.776 1.00 0.00 C ATOM 275 CG ASP A 17 6.825 3.337 -16.196 1.00 0.00 C ATOM 276 OD1 ASP A 17 6.642 4.295 -16.977 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.651 2.148 -16.541 1.00 0.00 O ATOM 0 H ASP A 17 7.628 4.053 -12.384 1.00 0.00 H new ATOM 0 HA ASP A 17 5.702 4.971 -14.188 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.020 4.428 -14.794 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.777 2.744 -14.372 1.00 0.00 H new ATOM 282 N GLN A 18 5.346 1.788 -13.346 1.00 0.00 N ATOM 283 CA GLN A 18 4.394 0.677 -13.316 1.00 0.00 C ATOM 284 C GLN A 18 3.173 1.023 -12.460 1.00 0.00 C ATOM 285 O GLN A 18 2.027 0.902 -12.908 1.00 0.00 O ATOM 286 CB GLN A 18 5.085 -0.601 -12.793 1.00 0.00 C ATOM 287 CG GLN A 18 4.133 -1.759 -12.464 1.00 0.00 C ATOM 288 CD GLN A 18 3.536 -1.662 -11.065 1.00 0.00 C ATOM 289 OE1 GLN A 18 4.187 -1.201 -10.128 1.00 0.00 O ATOM 290 NE2 GLN A 18 2.283 -2.066 -10.919 1.00 0.00 N ATOM 0 H GLN A 18 6.252 1.577 -12.927 1.00 0.00 H new ATOM 0 HA GLN A 18 4.046 0.494 -14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.803 -0.940 -13.540 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.652 -0.350 -11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.326 -1.778 -13.197 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.671 -2.702 -12.559 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.772 -2.443 -11.717 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.829 -2.000 -10.008 1.00 0.00 H new ATOM 299 N ILE A 19 3.439 1.462 -11.233 1.00 0.00 N ATOM 300 CA ILE A 19 2.398 1.686 -10.235 1.00 0.00 C ATOM 301 C ILE A 19 1.471 2.831 -10.670 1.00 0.00 C ATOM 302 O ILE A 19 0.289 2.858 -10.324 1.00 0.00 O ATOM 303 CB ILE A 19 3.040 1.962 -8.836 1.00 0.00 C ATOM 304 CG1 ILE A 19 2.151 1.450 -7.685 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.356 3.444 -8.649 1.00 0.00 C ATOM 306 CD1 ILE A 19 0.867 2.221 -7.482 1.00 0.00 C ATOM 0 H ILE A 19 4.381 1.672 -10.903 1.00 0.00 H new ATOM 0 HA ILE A 19 1.789 0.786 -10.150 1.00 0.00 H new ATOM 0 HB ILE A 19 3.977 1.407 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.905 0.405 -7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.726 1.480 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.801 3.600 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.056 3.767 -9.420 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.437 4.025 -8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.310 1.787 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.099 3.262 -7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.265 2.170 -8.389 1.00 0.00 H new ATOM 318 N ALA A 20 2.009 3.766 -11.443 1.00 0.00 N ATOM 319 CA ALA A 20 1.203 4.844 -11.996 1.00 0.00 C ATOM 320 C ALA A 20 0.352 4.316 -13.142 1.00 0.00 C ATOM 321 O ALA A 20 -0.872 4.407 -13.112 1.00 0.00 O ATOM 322 CB ALA A 20 2.084 5.997 -12.469 1.00 0.00 C ATOM 0 H ALA A 20 2.996 3.799 -11.700 1.00 0.00 H new ATOM 0 HA ALA A 20 0.547 5.225 -11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.457 6.790 -12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.658 6.386 -11.627 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.767 5.640 -13.240 1.00 0.00 H new ATOM 328 N LYS A 21 1.019 3.719 -14.124 1.00 0.00 N ATOM 329 CA LYS A 21 0.372 3.259 -15.353 1.00 0.00 C ATOM 330 C LYS A 21 -0.819 2.346 -15.068 1.00 0.00 C ATOM 331 O LYS A 21 -1.942 2.638 -15.491 1.00 0.00 O ATOM 332 CB LYS A 21 1.400 2.532 -16.238 1.00 0.00 C ATOM 333 CG LYS A 21 0.824 1.928 -17.517 1.00 0.00 C ATOM 334 CD LYS A 21 0.312 2.993 -18.482 1.00 0.00 C ATOM 335 CE LYS A 21 -0.289 2.370 -19.737 1.00 0.00 C ATOM 336 NZ LYS A 21 0.693 1.529 -20.472 1.00 0.00 N ATOM 0 H LYS A 21 2.023 3.539 -14.093 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.011 4.135 -15.876 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.189 3.234 -16.507 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.865 1.738 -15.654 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.591 1.331 -18.012 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.009 1.251 -17.261 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.439 3.606 -17.984 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.131 3.656 -18.761 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.151 1.762 -19.462 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.652 3.160 -20.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.314 1.293 -21.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.586 2.052 -20.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.867 0.653 -19.939 1.00 0.00 H new ATOM 350 N PHE A 22 -0.577 1.251 -14.351 1.00 0.00 N ATOM 351 CA PHE A 22 -1.626 0.268 -14.075 1.00 0.00 C ATOM 352 C PHE A 22 -2.843 0.941 -13.447 1.00 0.00 C ATOM 353 O PHE A 22 -3.976 0.740 -13.889 1.00 0.00 O ATOM 354 CB PHE A 22 -1.097 -0.842 -13.148 1.00 0.00 C ATOM 355 CG PHE A 22 -2.161 -1.817 -12.686 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.573 -2.863 -13.500 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.746 -1.684 -11.432 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.546 -3.750 -13.074 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.717 -2.567 -11.002 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.117 -3.603 -11.824 1.00 0.00 C ATOM 0 H PHE A 22 0.333 1.021 -13.951 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.927 -0.181 -15.021 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.314 -1.394 -13.669 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.636 -0.382 -12.274 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.129 -2.986 -14.477 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.436 -0.878 -10.784 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.859 -4.558 -13.719 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.163 -2.448 -10.025 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.875 -4.297 -11.490 1.00 0.00 H new ATOM 370 N TRP A 23 -2.588 1.770 -12.444 1.00 0.00 N ATOM 371 CA TRP A 23 -3.644 2.383 -11.654 1.00 0.00 C ATOM 372 C TRP A 23 -4.353 3.494 -12.433 1.00 0.00 C ATOM 373 O TRP A 23 -5.560 3.688 -12.275 1.00 0.00 O ATOM 374 CB TRP A 23 -3.065 2.911 -10.336 1.00 0.00 C ATOM 375 CG TRP A 23 -4.081 3.535 -9.426 1.00 0.00 C ATOM 376 CD1 TRP A 23 -3.986 4.749 -8.824 1.00 0.00 C ATOM 377 CD2 TRP A 23 -5.338 2.981 -9.012 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.105 4.999 -8.075 1.00 0.00 N ATOM 379 CE2 TRP A 23 -5.949 3.925 -8.166 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.007 1.782 -9.272 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -7.193 3.710 -7.582 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -7.245 1.572 -8.695 1.00 0.00 C ATOM 383 CH2 TRP A 23 -7.826 2.529 -7.857 1.00 0.00 C ATOM 0 H TRP A 23 -1.646 2.035 -12.157 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.393 1.624 -11.429 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.579 2.089 -9.810 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.293 3.647 -10.560 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.147 5.422 -8.922 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.281 5.847 -7.537 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.565 1.033 -9.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -7.643 4.449 -6.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -7.774 0.652 -8.895 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.793 2.332 -7.419 1.00 0.00 H new ATOM 394 N GLU A 24 -3.616 4.207 -13.291 1.00 0.00 N ATOM 395 CA GLU A 24 -4.224 5.247 -14.117 1.00 0.00 C ATOM 396 C GLU A 24 -5.289 4.623 -15.015 1.00 0.00 C ATOM 397 O GLU A 24 -6.415 5.119 -15.118 1.00 0.00 O ATOM 398 CB GLU A 24 -3.172 5.954 -14.993 1.00 0.00 C ATOM 399 CG GLU A 24 -2.192 6.848 -14.235 1.00 0.00 C ATOM 400 CD GLU A 24 -2.849 8.067 -13.605 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.618 8.766 -14.302 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.591 8.339 -12.414 1.00 0.00 O ATOM 0 H GLU A 24 -2.613 4.084 -13.429 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.673 5.988 -13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.605 5.197 -15.535 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.689 6.558 -15.738 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.706 6.262 -13.455 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.410 7.179 -14.919 1.00 0.00 H new ATOM 409 N ILE A 25 -4.925 3.500 -15.632 1.00 0.00 N ATOM 410 CA ILE A 25 -5.774 2.842 -16.619 1.00 0.00 C ATOM 411 C ILE A 25 -6.893 2.038 -15.946 1.00 0.00 C ATOM 412 O ILE A 25 -7.832 1.586 -16.608 1.00 0.00 O ATOM 413 CB ILE A 25 -4.934 1.929 -17.555 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.734 2.712 -18.123 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.788 1.364 -18.692 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.107 4.022 -18.795 1.00 0.00 C ATOM 0 H ILE A 25 -4.039 3.025 -15.462 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.237 3.621 -17.224 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.564 1.090 -16.966 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.033 2.918 -17.314 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.212 2.083 -18.844 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.172 0.730 -19.329 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.605 0.775 -18.275 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.196 2.184 -19.283 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.206 4.510 -19.167 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.782 3.825 -19.627 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.601 4.673 -18.074 1.00 0.00 H new ATOM 428 N GLN A 26 -6.817 1.888 -14.622 1.00 0.00 N ATOM 429 CA GLN A 26 -7.912 1.273 -13.860 1.00 0.00 C ATOM 430 C GLN A 26 -9.105 2.231 -13.755 1.00 0.00 C ATOM 431 O GLN A 26 -10.072 1.956 -13.041 1.00 0.00 O ATOM 432 CB GLN A 26 -7.448 0.864 -12.453 1.00 0.00 C ATOM 433 CG GLN A 26 -6.447 -0.287 -12.429 1.00 0.00 C ATOM 434 CD GLN A 26 -6.971 -1.545 -13.105 1.00 0.00 C ATOM 435 OE1 GLN A 26 -7.610 -2.387 -12.473 1.00 0.00 O ATOM 436 NE2 GLN A 26 -6.692 -1.690 -14.393 1.00 0.00 N ATOM 0 H GLN A 26 -6.019 2.180 -14.058 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.223 0.377 -14.397 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.999 1.730 -11.966 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.321 0.583 -11.863 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.528 0.028 -12.923 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.191 -0.517 -11.395 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.160 -0.971 -14.884 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.009 -2.520 -14.893 1.00 0.00 H new ATOM 445 N GLY A 27 -9.032 3.352 -14.476 1.00 0.00 N ATOM 446 CA GLY A 27 -10.094 4.340 -14.436 1.00 0.00 C ATOM 447 C GLY A 27 -9.989 5.196 -13.197 1.00 0.00 C ATOM 448 O GLY A 27 -10.998 5.608 -12.620 1.00 0.00 O ATOM 0 H GLY A 27 -8.252 3.591 -15.088 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.043 4.971 -15.324 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.062 3.840 -14.456 1.00 0.00 H new ATOM 452 N SER A 28 -8.757 5.444 -12.781 1.00 0.00 N ATOM 453 CA SER A 28 -8.480 6.195 -11.569 1.00 0.00 C ATOM 454 C SER A 28 -7.175 6.971 -11.733 1.00 0.00 C ATOM 455 O SER A 28 -6.624 7.035 -12.835 1.00 0.00 O ATOM 456 CB SER A 28 -8.405 5.236 -10.374 1.00 0.00 C ATOM 457 OG SER A 28 -9.614 4.507 -10.227 1.00 0.00 O ATOM 0 H SER A 28 -7.922 5.130 -13.275 1.00 0.00 H new ATOM 0 HA SER A 28 -9.283 6.909 -11.386 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.574 4.544 -10.511 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.204 5.800 -9.463 1.00 0.00 H new ATOM 0 HG SER A 28 -9.486 3.789 -9.572 1.00 0.00 H new ATOM 463 N SER A 29 -6.691 7.573 -10.654 1.00 0.00 N ATOM 464 CA SER A 29 -5.456 8.346 -10.703 1.00 0.00 C ATOM 465 C SER A 29 -4.601 8.080 -9.467 1.00 0.00 C ATOM 466 O SER A 29 -5.119 7.985 -8.349 1.00 0.00 O ATOM 467 CB SER A 29 -5.780 9.840 -10.829 1.00 0.00 C ATOM 468 OG SER A 29 -6.671 10.261 -9.805 1.00 0.00 O ATOM 0 H SER A 29 -7.134 7.541 -9.736 1.00 0.00 H new ATOM 0 HA SER A 29 -4.884 8.036 -11.578 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.859 10.420 -10.774 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.224 10.037 -11.805 1.00 0.00 H new ATOM 0 HG SER A 29 -6.859 11.217 -9.908 1.00 0.00 H new ATOM 474 N LEU A 30 -3.296 7.936 -9.677 1.00 0.00 N ATOM 475 CA LEU A 30 -2.360 7.700 -8.588 1.00 0.00 C ATOM 476 C LEU A 30 -2.086 8.995 -7.837 1.00 0.00 C ATOM 477 O LEU A 30 -1.159 9.734 -8.167 1.00 0.00 O ATOM 478 CB LEU A 30 -1.045 7.106 -9.114 1.00 0.00 C ATOM 479 CG LEU A 30 -0.002 6.770 -8.032 1.00 0.00 C ATOM 480 CD1 LEU A 30 -0.502 5.649 -7.123 1.00 0.00 C ATOM 481 CD2 LEU A 30 1.336 6.405 -8.666 1.00 0.00 C ATOM 0 H LEU A 30 -2.862 7.979 -10.599 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.811 6.982 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.272 6.198 -9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.602 7.811 -9.818 1.00 0.00 H new ATOM 0 HG LEU A 30 0.148 7.657 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.252 5.430 -6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.425 5.961 -6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.690 4.755 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.058 6.171 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.208 5.537 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.700 7.246 -9.256 1.00 0.00 H new ATOM 493 N LYS A 31 -2.929 9.286 -6.859 1.00 0.00 N ATOM 494 CA LYS A 31 -2.747 10.450 -6.005 1.00 0.00 C ATOM 495 C LYS A 31 -2.527 9.993 -4.569 1.00 0.00 C ATOM 496 O LYS A 31 -3.477 9.846 -3.796 1.00 0.00 O ATOM 497 CB LYS A 31 -3.961 11.387 -6.101 1.00 0.00 C ATOM 498 CG LYS A 31 -4.294 11.821 -7.527 1.00 0.00 C ATOM 499 CD LYS A 31 -3.124 12.538 -8.199 1.00 0.00 C ATOM 500 CE LYS A 31 -3.444 12.916 -9.642 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.582 13.873 -9.734 1.00 0.00 N ATOM 0 H LYS A 31 -3.753 8.727 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.871 11.007 -6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.829 10.887 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.772 12.274 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.569 10.946 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.162 12.481 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.876 13.437 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.244 11.895 -8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.561 13.358 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.682 12.015 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.677 14.206 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.460 13.397 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.404 14.685 -9.109 1.00 0.00 H new ATOM 515 N ILE A 32 -1.273 9.716 -4.239 1.00 0.00 N ATOM 516 CA ILE A 32 -0.907 9.256 -2.906 1.00 0.00 C ATOM 517 C ILE A 32 -0.687 10.448 -1.972 1.00 0.00 C ATOM 518 O ILE A 32 0.143 11.320 -2.250 1.00 0.00 O ATOM 519 CB ILE A 32 0.357 8.352 -2.939 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.509 9.039 -3.697 1.00 0.00 C ATOM 521 CG2 ILE A 32 0.024 6.998 -3.571 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.762 8.192 -3.810 1.00 0.00 C ATOM 0 H ILE A 32 -0.486 9.803 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.733 8.656 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 32 0.686 8.186 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.167 9.300 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.758 9.972 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.918 6.375 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.752 6.504 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.332 7.150 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.527 8.744 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.130 7.952 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.531 7.270 -4.343 1.00 0.00 H new ATOM 534 N PRO A 33 -1.467 10.530 -0.876 1.00 0.00 N ATOM 535 CA PRO A 33 -1.343 11.609 0.111 1.00 0.00 C ATOM 536 C PRO A 33 -0.072 11.487 0.954 1.00 0.00 C ATOM 537 O PRO A 33 0.744 10.579 0.758 1.00 0.00 O ATOM 538 CB PRO A 33 -2.599 11.446 0.996 1.00 0.00 C ATOM 539 CG PRO A 33 -3.477 10.479 0.269 1.00 0.00 C ATOM 540 CD PRO A 33 -2.549 9.602 -0.520 1.00 0.00 C ATOM 0 HA PRO A 33 -1.272 12.586 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.336 11.071 1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.103 12.401 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.073 9.891 0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.175 11.000 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.185 8.761 0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.035 9.186 -1.403 1.00 0.00 H new ATOM 548 N ASN A 34 0.082 12.401 1.903 1.00 0.00 N ATOM 549 CA ASN A 34 1.238 12.415 2.786 1.00 0.00 C ATOM 550 C ASN A 34 0.815 12.636 4.222 1.00 0.00 C ATOM 551 O ASN A 34 -0.157 13.343 4.503 1.00 0.00 O ATOM 552 CB ASN A 34 2.246 13.490 2.350 1.00 0.00 C ATOM 553 CG ASN A 34 1.662 14.894 2.313 1.00 0.00 C ATOM 554 OD1 ASN A 34 0.459 15.083 2.128 1.00 0.00 O ATOM 555 ND2 ASN A 34 2.521 15.893 2.462 1.00 0.00 N ATOM 0 H ASN A 34 -0.588 13.149 2.081 1.00 0.00 H new ATOM 0 HA ASN A 34 1.725 11.442 2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.096 13.477 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.628 13.238 1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.192 16.858 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.510 15.697 2.614 1.00 0.00 H new ATOM 562 N VAL A 35 1.550 12.008 5.124 1.00 0.00 N ATOM 563 CA VAL A 35 1.299 12.117 6.552 1.00 0.00 C ATOM 564 C VAL A 35 2.583 12.541 7.253 1.00 0.00 C ATOM 565 O VAL A 35 3.662 12.042 6.922 1.00 0.00 O ATOM 566 CB VAL A 35 0.768 10.786 7.147 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.732 9.634 6.867 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.502 10.926 8.647 1.00 0.00 C ATOM 0 H VAL A 35 2.339 11.407 4.887 1.00 0.00 H new ATOM 0 HA VAL A 35 0.526 12.869 6.711 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.178 10.555 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.334 8.714 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.850 9.511 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.701 9.853 7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.131 9.980 9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.427 11.193 9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.242 11.705 8.813 1.00 0.00 H new ATOM 578 N GLU A 36 2.473 13.485 8.192 1.00 0.00 N ATOM 579 CA GLU A 36 3.648 14.085 8.826 1.00 0.00 C ATOM 580 C GLU A 36 4.498 14.783 7.764 1.00 0.00 C ATOM 581 O GLU A 36 5.696 14.996 7.940 1.00 0.00 O ATOM 582 CB GLU A 36 4.468 13.039 9.595 1.00 0.00 C ATOM 583 CG GLU A 36 3.703 12.385 10.745 1.00 0.00 C ATOM 584 CD GLU A 36 3.130 13.397 11.732 1.00 0.00 C ATOM 585 OE1 GLU A 36 3.863 13.837 12.643 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.939 13.762 11.599 1.00 0.00 O ATOM 0 H GLU A 36 1.582 13.849 8.529 1.00 0.00 H new ATOM 0 HA GLU A 36 3.314 14.823 9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.796 12.265 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.366 13.513 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.891 11.783 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.369 11.705 11.276 1.00 0.00 H new ATOM 593 N ARG A 37 3.829 15.113 6.658 1.00 0.00 N ATOM 594 CA ARG A 37 4.431 15.739 5.473 1.00 0.00 C ATOM 595 C ARG A 37 5.235 14.728 4.650 1.00 0.00 C ATOM 596 O ARG A 37 5.745 15.062 3.581 1.00 0.00 O ATOM 597 CB ARG A 37 5.302 16.969 5.819 1.00 0.00 C ATOM 598 CG ARG A 37 4.516 18.176 6.345 1.00 0.00 C ATOM 599 CD ARG A 37 4.250 18.092 7.846 1.00 0.00 C ATOM 600 NE ARG A 37 5.498 18.100 8.611 1.00 0.00 N ATOM 601 CZ ARG A 37 5.627 17.652 9.861 1.00 0.00 C ATOM 602 NH1 ARG A 37 4.580 17.165 10.518 1.00 0.00 N ATOM 603 NH2 ARG A 37 6.815 17.697 10.450 1.00 0.00 N ATOM 0 H ARG A 37 2.827 14.949 6.556 1.00 0.00 H new ATOM 0 HA ARG A 37 3.598 16.096 4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.039 16.678 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.853 17.270 4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.071 19.089 6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.566 18.246 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.627 18.932 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.691 17.183 8.068 1.00 0.00 H new ATOM 0 HE ARG A 37 6.330 18.475 8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.666 17.131 10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.690 16.825 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.620 18.072 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.924 17.357 11.405 1.00 0.00 H new ATOM 617 N ARG A 38 5.312 13.487 5.128 1.00 0.00 N ATOM 618 CA ARG A 38 6.038 12.432 4.422 1.00 0.00 C ATOM 619 C ARG A 38 5.100 11.756 3.424 1.00 0.00 C ATOM 620 O ARG A 38 4.047 11.238 3.809 1.00 0.00 O ATOM 621 CB ARG A 38 6.593 11.397 5.423 1.00 0.00 C ATOM 622 CG ARG A 38 7.901 10.729 4.986 1.00 0.00 C ATOM 623 CD ARG A 38 7.761 9.879 3.725 1.00 0.00 C ATOM 624 NE ARG A 38 6.785 8.792 3.873 1.00 0.00 N ATOM 625 CZ ARG A 38 7.017 7.522 3.506 1.00 0.00 C ATOM 626 NH1 ARG A 38 8.211 7.161 3.057 1.00 0.00 N ATOM 627 NH2 ARG A 38 6.055 6.606 3.591 1.00 0.00 N ATOM 0 H ARG A 38 4.880 13.187 6.002 1.00 0.00 H new ATOM 0 HA ARG A 38 6.880 12.871 3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.754 11.888 6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.841 10.624 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.653 11.499 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.268 10.102 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.462 10.518 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.732 9.456 3.469 1.00 0.00 H new ATOM 0 HE ARG A 38 5.876 9.015 4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.960 7.850 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.381 6.194 2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.132 6.867 3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.241 5.643 3.310 1.00 0.00 H new ATOM 641 N ILE A 39 5.481 11.769 2.151 1.00 0.00 N ATOM 642 CA ILE A 39 4.657 11.185 1.091 1.00 0.00 C ATOM 643 C ILE A 39 4.558 9.672 1.263 1.00 0.00 C ATOM 644 O ILE A 39 5.564 8.995 1.468 1.00 0.00 O ATOM 645 CB ILE A 39 5.203 11.530 -0.318 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.322 10.900 -1.414 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.661 11.090 -0.466 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.736 11.275 -2.824 1.00 0.00 C ATOM 0 H ILE A 39 6.357 12.178 1.825 1.00 0.00 H new ATOM 0 HA ILE A 39 3.661 11.619 1.176 1.00 0.00 H new ATOM 0 HB ILE A 39 5.169 12.613 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.353 9.815 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.288 11.206 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.018 11.344 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.272 11.599 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.733 10.012 -0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.069 10.793 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.678 12.357 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.759 10.945 -3.003 1.00 0.00 H new ATOM 660 N LEU A 40 3.342 9.151 1.192 1.00 0.00 N ATOM 661 CA LEU A 40 3.097 7.734 1.448 1.00 0.00 C ATOM 662 C LEU A 40 3.681 6.867 0.330 1.00 0.00 C ATOM 663 O LEU A 40 3.077 6.725 -0.735 1.00 0.00 O ATOM 664 CB LEU A 40 1.589 7.470 1.603 1.00 0.00 C ATOM 665 CG LEU A 40 1.204 6.023 1.958 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.822 5.607 3.292 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.317 5.863 1.992 1.00 0.00 C ATOM 0 H LEU A 40 2.506 9.687 0.959 1.00 0.00 H new ATOM 0 HA LEU A 40 3.595 7.465 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.199 8.132 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.092 7.742 0.672 1.00 0.00 H new ATOM 0 HG LEU A 40 1.600 5.366 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.536 4.581 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.908 5.675 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.464 6.268 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.569 4.833 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.737 6.534 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.731 6.108 1.014 1.00 0.00 H new ATOM 679 N ASP A 41 4.868 6.309 0.572 1.00 0.00 N ATOM 680 CA ASP A 41 5.507 5.421 -0.394 1.00 0.00 C ATOM 681 C ASP A 41 4.826 4.054 -0.368 1.00 0.00 C ATOM 682 O ASP A 41 4.461 3.551 0.696 1.00 0.00 O ATOM 683 CB ASP A 41 7.018 5.276 -0.115 1.00 0.00 C ATOM 684 CG ASP A 41 7.344 4.281 0.995 1.00 0.00 C ATOM 685 OD1 ASP A 41 7.329 4.674 2.183 1.00 0.00 O ATOM 686 OD2 ASP A 41 7.633 3.104 0.677 1.00 0.00 O ATOM 0 H ASP A 41 5.404 6.457 1.427 1.00 0.00 H new ATOM 0 HA ASP A 41 5.397 5.860 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.519 4.962 -1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.424 6.251 0.153 1.00 0.00 H new ATOM 691 N LEU A 42 4.639 3.469 -1.544 1.00 0.00 N ATOM 692 CA LEU A 42 3.961 2.180 -1.664 1.00 0.00 C ATOM 693 C LEU A 42 4.978 1.039 -1.673 1.00 0.00 C ATOM 694 O LEU A 42 4.620 -0.124 -1.533 1.00 0.00 O ATOM 695 CB LEU A 42 3.108 2.159 -2.946 1.00 0.00 C ATOM 696 CG LEU A 42 1.695 1.556 -2.794 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.879 1.752 -4.069 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.763 0.074 -2.429 1.00 0.00 C ATOM 0 H LEU A 42 4.947 3.866 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 42 3.306 2.041 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.011 3.181 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.644 1.595 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 42 1.197 2.084 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.112 1.319 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.784 2.817 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.382 1.260 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.753 -0.323 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.290 -0.470 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.295 -0.044 -1.485 1.00 0.00 H new ATOM 710 N TYR A 43 6.246 1.390 -1.840 1.00 0.00 N ATOM 711 CA TYR A 43 7.334 0.408 -1.893 1.00 0.00 C ATOM 712 C TYR A 43 7.377 -0.434 -0.616 1.00 0.00 C ATOM 713 O TYR A 43 7.302 -1.671 -0.655 1.00 0.00 O ATOM 714 CB TYR A 43 8.682 1.117 -2.068 1.00 0.00 C ATOM 715 CG TYR A 43 8.766 2.005 -3.291 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.099 3.224 -3.334 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.526 1.636 -4.393 1.00 0.00 C ATOM 718 CE1 TYR A 43 8.184 4.044 -4.436 1.00 0.00 C ATOM 719 CE2 TYR A 43 9.614 2.453 -5.499 1.00 0.00 C ATOM 720 CZ TYR A 43 8.943 3.656 -5.516 1.00 0.00 C ATOM 721 OH TYR A 43 9.033 4.474 -6.617 1.00 0.00 O ATOM 0 H TYR A 43 6.554 2.357 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 43 7.148 -0.247 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.880 1.720 -1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.470 0.366 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.504 3.533 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.056 0.695 -4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.658 4.987 -4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.207 2.151 -6.350 1.00 0.00 H new ATOM 0 HH TYR A 43 8.317 4.252 -7.249 1.00 0.00 H new ATOM 731 N SER A 44 7.526 0.250 0.511 1.00 0.00 N ATOM 732 CA SER A 44 7.609 -0.406 1.806 1.00 0.00 C ATOM 733 C SER A 44 6.288 -1.082 2.130 1.00 0.00 C ATOM 734 O SER A 44 6.257 -2.221 2.589 1.00 0.00 O ATOM 735 CB SER A 44 7.969 0.616 2.892 1.00 0.00 C ATOM 736 OG SER A 44 9.099 1.391 2.509 1.00 0.00 O ATOM 0 H SER A 44 7.592 1.267 0.552 1.00 0.00 H new ATOM 0 HA SER A 44 8.390 -1.165 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.118 1.273 3.075 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.179 0.098 3.828 1.00 0.00 H new ATOM 0 HG SER A 44 8.819 2.090 1.882 1.00 0.00 H new ATOM 742 N LEU A 45 5.202 -0.376 1.847 1.00 0.00 N ATOM 743 CA LEU A 45 3.862 -0.875 2.105 1.00 0.00 C ATOM 744 C LEU A 45 3.659 -2.212 1.392 1.00 0.00 C ATOM 745 O LEU A 45 3.263 -3.195 2.013 1.00 0.00 O ATOM 746 CB LEU A 45 2.824 0.175 1.650 1.00 0.00 C ATOM 747 CG LEU A 45 1.348 -0.085 2.032 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.707 -1.137 1.127 1.00 0.00 C ATOM 749 CD2 LEU A 45 1.236 -0.499 3.499 1.00 0.00 C ATOM 0 H LEU A 45 5.227 0.556 1.433 1.00 0.00 H new ATOM 0 HA LEU A 45 3.728 -1.044 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.116 1.141 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.883 0.261 0.565 1.00 0.00 H new ATOM 0 HG LEU A 45 0.803 0.848 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.329 -1.292 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.738 -0.795 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.254 -2.075 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.190 -0.677 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.809 -1.411 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.629 0.296 4.132 1.00 0.00 H new ATOM 761 N SER A 46 3.978 -2.248 0.102 1.00 0.00 N ATOM 762 CA SER A 46 3.771 -3.443 -0.706 1.00 0.00 C ATOM 763 C SER A 46 4.637 -4.598 -0.209 1.00 0.00 C ATOM 764 O SER A 46 4.132 -5.701 0.021 1.00 0.00 O ATOM 765 CB SER A 46 4.061 -3.152 -2.184 1.00 0.00 C ATOM 766 OG SER A 46 5.339 -2.562 -2.352 1.00 0.00 O ATOM 0 H SER A 46 4.382 -1.461 -0.406 1.00 0.00 H new ATOM 0 HA SER A 46 2.726 -3.738 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.008 -4.078 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.296 -2.486 -2.583 1.00 0.00 H new ATOM 0 HG SER A 46 5.296 -1.613 -2.111 1.00 0.00 H new ATOM 772 N LYS A 47 5.939 -4.350 -0.013 1.00 0.00 N ATOM 773 CA LYS A 47 6.839 -5.428 0.393 1.00 0.00 C ATOM 774 C LYS A 47 6.477 -5.938 1.788 1.00 0.00 C ATOM 775 O LYS A 47 6.629 -7.128 2.081 1.00 0.00 O ATOM 776 CB LYS A 47 8.316 -5.000 0.334 1.00 0.00 C ATOM 777 CG LYS A 47 8.681 -3.835 1.249 1.00 0.00 C ATOM 778 CD LYS A 47 10.185 -3.559 1.243 1.00 0.00 C ATOM 779 CE LYS A 47 10.719 -3.290 -0.164 1.00 0.00 C ATOM 780 NZ LYS A 47 10.092 -2.094 -0.786 1.00 0.00 N ATOM 0 H LYS A 47 6.380 -3.437 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 47 6.711 -6.243 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.939 -5.856 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.560 -4.728 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.146 -2.941 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.356 -4.055 2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.397 -2.701 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.711 -4.412 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.799 -3.150 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.536 -4.162 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.485 -1.952 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.064 -2.237 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.288 -1.256 -0.202 1.00 0.00 H new ATOM 794 N ILE A 48 5.975 -5.043 2.641 1.00 0.00 N ATOM 795 CA ILE A 48 5.559 -5.430 3.986 1.00 0.00 C ATOM 796 C ILE A 48 4.278 -6.259 3.937 1.00 0.00 C ATOM 797 O ILE A 48 4.211 -7.323 4.545 1.00 0.00 O ATOM 798 CB ILE A 48 5.361 -4.205 4.914 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.714 -3.530 5.202 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.672 -4.613 6.217 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.620 -2.337 6.132 1.00 0.00 C ATOM 0 H ILE A 48 5.848 -4.054 2.425 1.00 0.00 H new ATOM 0 HA ILE A 48 6.364 -6.035 4.404 1.00 0.00 H new ATOM 0 HB ILE A 48 4.717 -3.488 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.390 -4.265 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.157 -3.209 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.544 -3.736 6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.696 -5.044 5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.284 -5.351 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.614 -1.916 6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.971 -1.581 5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.208 -2.654 7.090 1.00 0.00 H new ATOM 813 N VAL A 49 3.273 -5.785 3.201 1.00 0.00 N ATOM 814 CA VAL A 49 2.008 -6.514 3.073 1.00 0.00 C ATOM 815 C VAL A 49 2.264 -7.938 2.578 1.00 0.00 C ATOM 816 O VAL A 49 1.740 -8.907 3.138 1.00 0.00 O ATOM 817 CB VAL A 49 1.015 -5.800 2.114 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.213 -6.672 1.837 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.589 -4.450 2.689 1.00 0.00 C ATOM 0 H VAL A 49 3.308 -4.905 2.687 1.00 0.00 H new ATOM 0 HA VAL A 49 1.554 -6.544 4.063 1.00 0.00 H new ATOM 0 HB VAL A 49 1.529 -5.631 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.889 -6.145 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.102 -7.608 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.728 -6.884 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.106 -3.965 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.102 -4.602 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.467 -3.818 2.822 1.00 0.00 H new ATOM 829 N VAL A 50 3.092 -8.058 1.540 1.00 0.00 N ATOM 830 CA VAL A 50 3.477 -9.365 1.011 1.00 0.00 C ATOM 831 C VAL A 50 4.221 -10.176 2.075 1.00 0.00 C ATOM 832 O VAL A 50 4.009 -11.382 2.211 1.00 0.00 O ATOM 833 CB VAL A 50 4.366 -9.227 -0.254 1.00 0.00 C ATOM 834 CG1 VAL A 50 4.829 -10.596 -0.758 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.622 -8.472 -1.357 1.00 0.00 C ATOM 0 H VAL A 50 3.508 -7.266 1.050 1.00 0.00 H new ATOM 0 HA VAL A 50 2.561 -9.887 0.732 1.00 0.00 H new ATOM 0 HB VAL A 50 5.251 -8.654 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.450 -10.466 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.408 -11.094 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.960 -11.204 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.262 -8.386 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.715 -9.015 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.358 -7.476 -1.002 1.00 0.00 H new ATOM 845 N GLU A 51 5.087 -9.500 2.831 1.00 0.00 N ATOM 846 CA GLU A 51 5.835 -10.144 3.911 1.00 0.00 C ATOM 847 C GLU A 51 4.883 -10.623 5.010 1.00 0.00 C ATOM 848 O GLU A 51 5.143 -11.620 5.690 1.00 0.00 O ATOM 849 CB GLU A 51 6.864 -9.163 4.496 1.00 0.00 C ATOM 850 CG GLU A 51 7.877 -9.805 5.437 1.00 0.00 C ATOM 851 CD GLU A 51 8.747 -10.838 4.739 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.557 -10.445 3.868 1.00 0.00 O ATOM 853 OE2 GLU A 51 8.632 -12.042 5.061 1.00 0.00 O ATOM 0 H GLU A 51 5.288 -8.507 2.715 1.00 0.00 H new ATOM 0 HA GLU A 51 6.359 -11.009 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.400 -8.684 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.334 -8.376 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.512 -9.030 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.350 -10.279 6.265 1.00 0.00 H new ATOM 860 N GLU A 52 3.777 -9.900 5.174 1.00 0.00 N ATOM 861 CA GLU A 52 2.768 -10.235 6.172 1.00 0.00 C ATOM 862 C GLU A 52 1.901 -11.398 5.688 1.00 0.00 C ATOM 863 O GLU A 52 1.445 -12.219 6.488 1.00 0.00 O ATOM 864 CB GLU A 52 1.906 -9.003 6.480 1.00 0.00 C ATOM 865 CG GLU A 52 2.678 -7.849 7.122 1.00 0.00 C ATOM 866 CD GLU A 52 3.204 -8.172 8.514 1.00 0.00 C ATOM 867 OE1 GLU A 52 4.128 -9.004 8.635 1.00 0.00 O ATOM 868 OE2 GLU A 52 2.693 -7.604 9.503 1.00 0.00 O ATOM 0 H GLU A 52 3.557 -9.071 4.622 1.00 0.00 H new ATOM 0 HA GLU A 52 3.268 -10.547 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.449 -8.651 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.094 -9.297 7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.516 -7.580 6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.028 -6.976 7.181 1.00 0.00 H new ATOM 875 N GLY A 53 1.688 -11.465 4.375 1.00 0.00 N ATOM 876 CA GLY A 53 0.995 -12.600 3.780 1.00 0.00 C ATOM 877 C GLY A 53 -0.388 -12.264 3.252 1.00 0.00 C ATOM 878 O GLY A 53 -1.011 -13.090 2.582 1.00 0.00 O ATOM 0 H GLY A 53 1.984 -10.751 3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.599 -12.996 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.907 -13.391 4.524 1.00 0.00 H new ATOM 882 N GLY A 54 -0.893 -11.076 3.571 1.00 0.00 N ATOM 883 CA GLY A 54 -2.188 -10.664 3.051 1.00 0.00 C ATOM 884 C GLY A 54 -2.737 -9.432 3.743 1.00 0.00 C ATOM 885 O GLY A 54 -2.640 -9.314 4.968 1.00 0.00 O ATOM 0 H GLY A 54 -0.434 -10.395 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.098 -10.465 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.897 -11.484 3.164 1.00 0.00 H new ATOM 889 N TYR A 55 -3.326 -8.524 2.960 1.00 0.00 N ATOM 890 CA TYR A 55 -3.966 -7.317 3.493 1.00 0.00 C ATOM 891 C TYR A 55 -4.945 -7.660 4.614 1.00 0.00 C ATOM 892 O TYR A 55 -4.921 -7.045 5.684 1.00 0.00 O ATOM 893 CB TYR A 55 -4.704 -6.571 2.365 1.00 0.00 C ATOM 894 CG TYR A 55 -5.769 -5.595 2.841 1.00 0.00 C ATOM 895 CD1 TYR A 55 -5.426 -4.397 3.446 1.00 0.00 C ATOM 896 CD2 TYR A 55 -7.123 -5.883 2.687 1.00 0.00 C ATOM 897 CE1 TYR A 55 -6.393 -3.512 3.885 1.00 0.00 C ATOM 898 CE2 TYR A 55 -8.094 -5.004 3.125 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.725 -3.823 3.723 1.00 0.00 C ATOM 900 OH TYR A 55 -8.694 -2.954 4.166 1.00 0.00 O ATOM 0 H TYR A 55 -3.373 -8.603 1.944 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.187 -6.675 3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.972 -6.027 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.170 -7.304 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.383 -4.150 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.419 -6.809 2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.106 -2.582 4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.139 -5.244 2.998 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.427 -3.461 4.573 1.00 0.00 H new ATOM 910 N GLU A 56 -5.796 -8.649 4.355 1.00 0.00 N ATOM 911 CA GLU A 56 -6.845 -9.035 5.294 1.00 0.00 C ATOM 912 C GLU A 56 -6.252 -9.385 6.654 1.00 0.00 C ATOM 913 O GLU A 56 -6.719 -8.900 7.687 1.00 0.00 O ATOM 914 CB GLU A 56 -7.650 -10.215 4.725 1.00 0.00 C ATOM 915 CG GLU A 56 -8.906 -10.566 5.523 1.00 0.00 C ATOM 916 CD GLU A 56 -8.637 -11.413 6.759 1.00 0.00 C ATOM 917 OE1 GLU A 56 -7.906 -12.418 6.655 1.00 0.00 O ATOM 918 OE2 GLU A 56 -9.162 -11.073 7.839 1.00 0.00 O ATOM 0 H GLU A 56 -5.779 -9.201 3.497 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.519 -8.190 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.939 -9.981 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.005 -11.092 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.400 -9.643 5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.600 -11.100 4.873 1.00 0.00 H new ATOM 925 N ALA A 57 -5.209 -10.208 6.644 1.00 0.00 N ATOM 926 CA ALA A 57 -4.563 -10.646 7.875 1.00 0.00 C ATOM 927 C ALA A 57 -4.059 -9.449 8.675 1.00 0.00 C ATOM 928 O ALA A 57 -4.309 -9.342 9.880 1.00 0.00 O ATOM 929 CB ALA A 57 -3.418 -11.602 7.562 1.00 0.00 C ATOM 0 H ALA A 57 -4.792 -10.586 5.793 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.299 -11.174 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.945 -11.920 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.806 -12.474 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.683 -11.097 6.936 1.00 0.00 H new ATOM 935 N ILE A 58 -3.371 -8.541 7.990 1.00 0.00 N ATOM 936 CA ILE A 58 -2.828 -7.341 8.621 1.00 0.00 C ATOM 937 C ILE A 58 -3.954 -6.507 9.216 1.00 0.00 C ATOM 938 O ILE A 58 -3.858 -6.006 10.337 1.00 0.00 O ATOM 939 CB ILE A 58 -2.068 -6.458 7.605 1.00 0.00 C ATOM 940 CG1 ILE A 58 -1.129 -7.303 6.741 1.00 0.00 C ATOM 941 CG2 ILE A 58 -1.283 -5.364 8.321 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.477 -6.524 5.619 1.00 0.00 C ATOM 0 H ILE A 58 -3.175 -8.614 6.992 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.139 -7.672 9.398 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.805 -5.988 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.352 -7.731 7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.690 -8.136 6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.756 -4.755 7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.969 -4.736 8.888 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.562 -5.819 9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.175 -7.185 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.247 -6.118 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.111 -5.707 6.037 1.00 0.00 H new ATOM 954 N CYS A 59 -5.027 -6.384 8.450 1.00 0.00 N ATOM 955 CA CYS A 59 -6.144 -5.528 8.813 1.00 0.00 C ATOM 956 C CYS A 59 -6.930 -6.115 9.978 1.00 0.00 C ATOM 957 O CYS A 59 -7.369 -5.389 10.871 1.00 0.00 O ATOM 958 CB CYS A 59 -7.061 -5.326 7.599 1.00 0.00 C ATOM 959 SG CYS A 59 -8.313 -4.045 7.827 1.00 0.00 S ATOM 0 H CYS A 59 -5.147 -6.873 7.563 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.749 -4.563 9.129 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.449 -5.071 6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.558 -6.269 7.372 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.579 -3.919 9.093 1.00 0.00 H new ATOM 965 N LYS A 60 -7.080 -7.434 9.983 1.00 0.00 N ATOM 966 CA LYS A 60 -7.905 -8.101 10.981 1.00 0.00 C ATOM 967 C LYS A 60 -7.107 -8.354 12.259 1.00 0.00 C ATOM 968 O LYS A 60 -7.682 -8.528 13.336 1.00 0.00 O ATOM 969 CB LYS A 60 -8.449 -9.420 10.416 1.00 0.00 C ATOM 970 CG LYS A 60 -9.708 -9.918 11.118 1.00 0.00 C ATOM 971 CD LYS A 60 -10.913 -8.996 10.882 1.00 0.00 C ATOM 972 CE LYS A 60 -11.545 -9.188 9.499 1.00 0.00 C ATOM 973 NZ LYS A 60 -10.615 -8.863 8.383 1.00 0.00 N ATOM 0 H LYS A 60 -6.642 -8.061 9.308 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.745 -7.452 11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.663 -9.289 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.675 -10.184 10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.946 -10.921 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.517 -9.996 12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.664 -9.184 11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.598 -7.958 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.877 -10.221 9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.432 -8.559 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.134 -8.880 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.211 -7.916 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.849 -9.565 8.354 1.00 0.00 H new ATOM 987 N ASP A 61 -5.780 -8.381 12.135 1.00 0.00 N ATOM 988 CA ASP A 61 -4.899 -8.588 13.289 1.00 0.00 C ATOM 989 C ASP A 61 -4.347 -7.252 13.796 1.00 0.00 C ATOM 990 O ASP A 61 -3.703 -7.199 14.846 1.00 0.00 O ATOM 991 CB ASP A 61 -3.750 -9.538 12.920 1.00 0.00 C ATOM 992 CG ASP A 61 -2.963 -10.026 14.131 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.417 -10.986 14.790 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.884 -9.467 14.424 1.00 0.00 O ATOM 0 H ASP A 61 -5.290 -8.262 11.248 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.483 -9.042 14.090 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.155 -10.398 12.387 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.072 -9.029 12.235 1.00 0.00 H new ATOM 999 N ARG A 62 -4.607 -6.176 13.040 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.178 -4.823 13.418 1.00 0.00 C ATOM 1001 C ARG A 62 -2.650 -4.707 13.331 1.00 0.00 C ATOM 1002 O ARG A 62 -2.014 -3.983 14.105 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.675 -4.479 14.840 1.00 0.00 C ATOM 1004 CG ARG A 62 -4.709 -2.983 15.149 1.00 0.00 C ATOM 1005 CD ARG A 62 -5.053 -2.709 16.610 1.00 0.00 C ATOM 1006 NE ARG A 62 -6.226 -3.469 17.058 1.00 0.00 N ATOM 1007 CZ ARG A 62 -7.409 -2.932 17.367 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -7.598 -1.619 17.293 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -8.403 -3.714 17.767 1.00 0.00 N ATOM 0 H ARG A 62 -5.116 -6.218 12.157 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.616 -4.108 12.722 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.677 -4.888 14.971 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.031 -4.974 15.567 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.740 -2.543 14.916 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.443 -2.497 14.506 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.198 -2.963 17.236 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.241 -1.644 16.743 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.131 -4.481 17.139 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.835 -1.010 16.998 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.506 -1.220 17.531 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.262 -4.722 17.838 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.308 -3.308 18.004 1.00 0.00 H new ATOM 1023 N ARG A 63 -2.065 -5.400 12.353 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.611 -5.426 12.180 1.00 0.00 C ATOM 1025 C ARG A 63 -0.112 -4.128 11.543 1.00 0.00 C ATOM 1026 O ARG A 63 1.093 -3.881 11.490 1.00 0.00 O ATOM 1027 CB ARG A 63 -0.201 -6.649 11.337 1.00 0.00 C ATOM 1028 CG ARG A 63 -0.564 -7.980 11.992 1.00 0.00 C ATOM 1029 CD ARG A 63 -0.556 -9.149 11.008 1.00 0.00 C ATOM 1030 NE ARG A 63 0.781 -9.472 10.503 1.00 0.00 N ATOM 1031 CZ ARG A 63 1.128 -10.674 10.027 1.00 0.00 C ATOM 1032 NH1 ARG A 63 0.240 -11.662 9.986 1.00 0.00 N ATOM 1033 NH2 ARG A 63 2.363 -10.885 9.590 1.00 0.00 N ATOM 0 H ARG A 63 -2.578 -5.953 11.666 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.146 -5.510 13.162 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.683 -6.588 10.361 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.875 -6.618 11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.140 -8.186 12.799 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.553 -7.899 12.444 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.975 -10.029 11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.207 -8.911 10.167 1.00 0.00 H new ATOM 0 HE ARG A 63 1.489 -8.738 10.515 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.712 -11.506 10.318 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.510 -12.576 9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.049 -10.131 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.626 -11.801 9.228 1.00 0.00 H new ATOM 1047 N TRP A 64 -1.047 -3.289 11.086 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.705 -1.983 10.510 1.00 0.00 C ATOM 1049 C TRP A 64 0.090 -1.145 11.504 1.00 0.00 C ATOM 1050 O TRP A 64 0.805 -0.224 11.114 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.963 -1.208 10.097 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.761 -1.861 9.010 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -4.068 -2.254 9.080 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.310 -2.198 7.689 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.459 -2.804 7.888 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.399 -2.785 7.022 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -1.095 -2.064 7.002 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.313 -3.232 5.712 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -1.014 -2.511 5.697 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -2.118 -3.088 5.064 1.00 0.00 C ATOM 0 H TRP A 64 -2.047 -3.490 11.103 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.098 -2.172 9.624 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.600 -1.080 10.972 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.670 -0.211 9.767 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.701 -2.147 9.949 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.389 -3.168 7.680 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.237 -1.619 7.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.163 -3.680 5.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.083 -2.413 5.158 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.025 -3.427 4.043 1.00 0.00 H new ATOM 1071 N ALA A 65 -0.054 -1.464 12.785 1.00 0.00 N ATOM 1072 CA ALA A 65 0.669 -0.770 13.839 1.00 0.00 C ATOM 1073 C ALA A 65 2.176 -0.854 13.606 1.00 0.00 C ATOM 1074 O ALA A 65 2.852 0.168 13.421 1.00 0.00 O ATOM 1075 CB ALA A 65 0.305 -1.364 15.194 1.00 0.00 C ATOM 0 H ALA A 65 -0.670 -2.205 13.118 1.00 0.00 H new ATOM 0 HA ALA A 65 0.383 0.282 13.825 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.850 -0.840 15.979 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.767 -1.257 15.362 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.571 -2.421 15.211 1.00 0.00 H new ATOM 1081 N ARG A 66 2.692 -2.081 13.586 1.00 0.00 N ATOM 1082 CA ARG A 66 4.120 -2.309 13.399 1.00 0.00 C ATOM 1083 C ARG A 66 4.549 -1.907 11.987 1.00 0.00 C ATOM 1084 O ARG A 66 5.687 -1.498 11.772 1.00 0.00 O ATOM 1085 CB ARG A 66 4.484 -3.775 13.720 1.00 0.00 C ATOM 1086 CG ARG A 66 3.716 -4.831 12.916 1.00 0.00 C ATOM 1087 CD ARG A 66 4.388 -5.161 11.588 1.00 0.00 C ATOM 1088 NE ARG A 66 5.750 -5.661 11.783 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.231 -6.774 11.231 1.00 0.00 C ATOM 1090 NH1 ARG A 66 5.466 -7.518 10.439 1.00 0.00 N ATOM 1091 NH2 ARG A 66 7.477 -7.147 11.485 1.00 0.00 N ATOM 0 H ARG A 66 2.141 -2.932 13.697 1.00 0.00 H new ATOM 0 HA ARG A 66 4.671 -1.679 14.097 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.551 -3.914 13.545 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.309 -3.952 14.781 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.627 -5.741 13.510 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.704 -4.473 12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.798 -5.908 11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.413 -4.270 10.961 1.00 0.00 H new ATOM 0 HE ARG A 66 6.373 -5.120 12.383 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.503 -7.238 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.841 -8.369 10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.063 -6.583 12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.850 -7.998 11.065 1.00 0.00 H new ATOM 1105 N VAL A 67 3.619 -1.998 11.035 1.00 0.00 N ATOM 1106 CA VAL A 67 3.883 -1.571 9.661 1.00 0.00 C ATOM 1107 C VAL A 67 4.180 -0.069 9.617 1.00 0.00 C ATOM 1108 O VAL A 67 5.231 0.354 9.134 1.00 0.00 O ATOM 1109 CB VAL A 67 2.690 -1.890 8.719 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.956 -1.382 7.301 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.399 -3.389 8.706 1.00 0.00 C ATOM 0 H VAL A 67 2.679 -2.363 11.190 1.00 0.00 H new ATOM 0 HA VAL A 67 4.752 -2.128 9.311 1.00 0.00 H new ATOM 0 HB VAL A 67 1.812 -1.371 9.104 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.104 -1.619 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.103 -0.302 7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.851 -1.862 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.560 -3.591 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.279 -3.927 8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.150 -3.720 9.714 1.00 0.00 H new ATOM 1121 N ALA A 68 3.257 0.727 10.149 1.00 0.00 N ATOM 1122 CA ALA A 68 3.406 2.179 10.170 1.00 0.00 C ATOM 1123 C ALA A 68 4.662 2.577 10.941 1.00 0.00 C ATOM 1124 O ALA A 68 5.385 3.495 10.547 1.00 0.00 O ATOM 1125 CB ALA A 68 2.169 2.832 10.778 1.00 0.00 C ATOM 0 H ALA A 68 2.393 0.389 10.574 1.00 0.00 H new ATOM 0 HA ALA A 68 3.510 2.532 9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.296 3.915 10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.292 2.574 10.184 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.034 2.475 11.799 1.00 0.00 H new ATOM 1131 N GLN A 69 4.920 1.869 12.037 1.00 0.00 N ATOM 1132 CA GLN A 69 6.119 2.106 12.833 1.00 0.00 C ATOM 1133 C GLN A 69 7.372 1.764 12.020 1.00 0.00 C ATOM 1134 O GLN A 69 8.397 2.442 12.121 1.00 0.00 O ATOM 1135 CB GLN A 69 6.066 1.292 14.134 1.00 0.00 C ATOM 1136 CG GLN A 69 7.266 1.512 15.052 1.00 0.00 C ATOM 1137 CD GLN A 69 7.070 0.909 16.434 1.00 0.00 C ATOM 1138 OE1 GLN A 69 5.947 0.831 16.937 1.00 0.00 O ATOM 1139 NE2 GLN A 69 8.156 0.487 17.062 1.00 0.00 N ATOM 0 H GLN A 69 4.316 1.128 12.393 1.00 0.00 H new ATOM 0 HA GLN A 69 6.164 3.163 13.097 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.155 1.549 14.675 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.001 0.233 13.886 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.153 1.076 14.593 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.451 2.582 15.150 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.068 0.568 16.613 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.080 0.081 17.994 1.00 0.00 H new ATOM 1148 N ARG A 70 7.271 0.725 11.191 1.00 0.00 N ATOM 1149 CA ARG A 70 8.371 0.320 10.319 1.00 0.00 C ATOM 1150 C ARG A 70 8.633 1.417 9.282 1.00 0.00 C ATOM 1151 O ARG A 70 9.780 1.684 8.917 1.00 0.00 O ATOM 1152 CB ARG A 70 8.042 -1.026 9.636 1.00 0.00 C ATOM 1153 CG ARG A 70 9.256 -1.766 9.061 1.00 0.00 C ATOM 1154 CD ARG A 70 9.788 -1.135 7.776 1.00 0.00 C ATOM 1155 NE ARG A 70 11.114 -1.643 7.427 1.00 0.00 N ATOM 1156 CZ ARG A 70 12.245 -0.951 7.593 1.00 0.00 C ATOM 1157 NH1 ARG A 70 12.211 0.268 8.129 1.00 0.00 N ATOM 1158 NH2 ARG A 70 13.403 -1.483 7.230 1.00 0.00 N ATOM 0 H ARG A 70 6.435 0.147 11.106 1.00 0.00 H new ATOM 0 HA ARG A 70 9.275 0.181 10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.548 -1.674 10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.329 -0.845 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.051 -1.783 9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.982 -2.802 8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.095 -1.337 6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.834 -0.052 7.895 1.00 0.00 H new ATOM 0 HE ARG A 70 11.180 -2.582 7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.320 0.675 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.076 0.794 8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.430 -2.419 6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.268 -0.957 7.356 1.00 0.00 H new ATOM 1172 N LEU A 71 7.557 2.065 8.831 1.00 0.00 N ATOM 1173 CA LEU A 71 7.650 3.168 7.865 1.00 0.00 C ATOM 1174 C LEU A 71 8.169 4.453 8.522 1.00 0.00 C ATOM 1175 O LEU A 71 8.109 5.527 7.920 1.00 0.00 O ATOM 1176 CB LEU A 71 6.288 3.422 7.188 1.00 0.00 C ATOM 1177 CG LEU A 71 5.987 2.564 5.942 1.00 0.00 C ATOM 1178 CD1 LEU A 71 5.980 1.079 6.282 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.661 2.980 5.308 1.00 0.00 C ATOM 0 H LEU A 71 6.604 1.845 9.120 1.00 0.00 H new ATOM 0 HA LEU A 71 8.368 2.871 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.501 3.251 7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.235 4.473 6.904 1.00 0.00 H new ATOM 0 HG LEU A 71 6.783 2.736 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.765 0.501 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.955 0.791 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.215 0.881 7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.468 2.363 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.855 2.847 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.713 4.027 5.010 1.00 0.00 H new ATOM 1191 N ASN A 72 8.662 4.337 9.761 1.00 0.00 N ATOM 1192 CA ASN A 72 9.333 5.444 10.455 1.00 0.00 C ATOM 1193 C ASN A 72 8.342 6.518 10.898 1.00 0.00 C ATOM 1194 O ASN A 72 8.695 7.698 10.992 1.00 0.00 O ATOM 1195 CB ASN A 72 10.434 6.077 9.573 1.00 0.00 C ATOM 1196 CG ASN A 72 11.656 5.188 9.371 1.00 0.00 C ATOM 1197 OD1 ASN A 72 11.462 3.879 9.326 1.00 0.00 O flip ATOM 1198 ND2 ASN A 72 12.774 5.687 9.240 1.00 0.00 N flip ATOM 0 H ASN A 72 8.608 3.478 10.309 1.00 0.00 H new ATOM 0 HA ASN A 72 9.798 5.020 11.345 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.010 6.320 8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.752 7.016 10.025 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.888 6.700 9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.586 5.088 9.092 1.00 0.00 H new ATOM 1205 N TYR A 73 7.111 6.112 11.190 1.00 0.00 N ATOM 1206 CA TYR A 73 6.098 7.041 11.688 1.00 0.00 C ATOM 1207 C TYR A 73 6.099 7.071 13.219 1.00 0.00 C ATOM 1208 O TYR A 73 6.534 6.110 13.861 1.00 0.00 O ATOM 1209 CB TYR A 73 4.712 6.675 11.133 1.00 0.00 C ATOM 1210 CG TYR A 73 4.618 6.880 9.635 1.00 0.00 C ATOM 1211 CD1 TYR A 73 5.074 8.062 9.058 1.00 0.00 C ATOM 1212 CD2 TYR A 73 4.103 5.897 8.797 1.00 0.00 C ATOM 1213 CE1 TYR A 73 5.017 8.258 7.696 1.00 0.00 C ATOM 1214 CE2 TYR A 73 4.048 6.087 7.430 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.507 7.269 6.886 1.00 0.00 C ATOM 1216 OH TYR A 73 4.470 7.461 5.526 1.00 0.00 O ATOM 0 H TYR A 73 6.789 5.149 11.091 1.00 0.00 H new ATOM 0 HA TYR A 73 6.342 8.044 11.338 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.492 5.634 11.369 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.953 7.281 11.628 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.479 8.839 9.689 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.741 4.972 9.221 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.371 9.183 7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.648 5.314 6.790 1.00 0.00 H new ATOM 0 HH TYR A 73 3.630 7.105 5.168 1.00 0.00 H new ATOM 1226 N PRO A 74 5.645 8.193 13.820 1.00 0.00 N ATOM 1227 CA PRO A 74 5.664 8.379 15.281 1.00 0.00 C ATOM 1228 C PRO A 74 4.718 7.422 16.017 1.00 0.00 C ATOM 1229 O PRO A 74 3.747 6.920 15.436 1.00 0.00 O ATOM 1230 CB PRO A 74 5.210 9.840 15.463 1.00 0.00 C ATOM 1231 CG PRO A 74 4.423 10.145 14.234 1.00 0.00 C ATOM 1232 CD PRO A 74 5.083 9.373 13.126 1.00 0.00 C ATOM 0 HA PRO A 74 6.648 8.168 15.700 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.604 9.958 16.361 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.063 10.511 15.564 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.381 9.847 14.352 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.427 11.214 14.022 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.368 9.084 12.356 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.860 9.959 12.635 1.00 0.00 H new ATOM 1240 N PRO A 75 5.003 7.149 17.311 1.00 0.00 N ATOM 1241 CA PRO A 75 4.161 6.284 18.156 1.00 0.00 C ATOM 1242 C PRO A 75 2.698 6.741 18.205 1.00 0.00 C ATOM 1243 O PRO A 75 2.363 7.856 17.801 1.00 0.00 O ATOM 1244 CB PRO A 75 4.812 6.394 19.544 1.00 0.00 C ATOM 1245 CG PRO A 75 6.230 6.759 19.264 1.00 0.00 C ATOM 1246 CD PRO A 75 6.189 7.641 18.044 1.00 0.00 C ATOM 0 HA PRO A 75 4.117 5.265 17.771 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.320 7.152 20.154 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.745 5.453 20.090 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.674 7.282 20.111 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.835 5.870 19.085 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.089 8.693 18.311 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.097 7.548 17.449 1.00 0.00 H new ATOM 1254 N GLY A 76 1.835 5.870 18.718 1.00 0.00 N ATOM 1255 CA GLY A 76 0.409 6.144 18.749 1.00 0.00 C ATOM 1256 C GLY A 76 -0.350 5.255 17.783 1.00 0.00 C ATOM 1257 O GLY A 76 -1.512 4.928 18.013 1.00 0.00 O ATOM 0 H GLY A 76 2.101 4.970 19.117 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.030 5.991 19.760 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.233 7.190 18.497 1.00 0.00 H new ATOM 1261 N LYS A 77 0.319 4.888 16.684 1.00 0.00 N ATOM 1262 CA LYS A 77 -0.223 3.954 15.685 1.00 0.00 C ATOM 1263 C LYS A 77 -1.444 4.517 14.950 1.00 0.00 C ATOM 1264 O LYS A 77 -1.984 3.864 14.055 1.00 0.00 O ATOM 1265 CB LYS A 77 -0.580 2.597 16.324 1.00 0.00 C ATOM 1266 CG LYS A 77 0.619 1.688 16.597 1.00 0.00 C ATOM 1267 CD LYS A 77 1.535 2.217 17.694 1.00 0.00 C ATOM 1268 CE LYS A 77 2.687 1.254 17.964 1.00 0.00 C ATOM 1269 NZ LYS A 77 3.511 1.681 19.120 1.00 0.00 N ATOM 0 H LYS A 77 1.254 5.230 16.460 1.00 0.00 H new ATOM 0 HA LYS A 77 0.568 3.808 14.949 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.103 2.779 17.263 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.275 2.073 15.668 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.260 0.698 16.878 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.194 1.569 15.678 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.932 3.190 17.403 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.962 2.368 18.609 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.289 0.257 18.152 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.316 1.184 17.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.282 0.999 19.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.913 2.622 18.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.917 1.723 19.973 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.859 5.729 15.303 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.039 6.345 14.697 1.00 0.00 C ATOM 1285 C ASN A 78 -2.874 6.462 13.180 1.00 0.00 C ATOM 1286 O ASN A 78 -3.850 6.391 12.429 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.296 7.725 15.316 1.00 0.00 C ATOM 1288 CG ASN A 78 -4.539 8.396 14.756 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -4.469 9.148 13.784 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -5.684 8.121 15.362 1.00 0.00 N ATOM 0 H ASN A 78 -1.397 6.306 16.006 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.899 5.706 14.897 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.400 7.621 16.396 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.432 8.365 15.139 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.552 8.538 15.026 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.698 7.492 16.165 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.622 6.606 12.740 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.303 6.721 11.315 1.00 0.00 C ATOM 1299 C ILE A 79 -1.790 5.481 10.556 1.00 0.00 C ATOM 1300 O ILE A 79 -2.136 5.556 9.374 1.00 0.00 O ATOM 1301 CB ILE A 79 0.226 6.916 11.067 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.744 8.231 11.697 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.539 6.897 9.569 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.852 8.209 13.211 1.00 0.00 C ATOM 0 H ILE A 79 -0.808 6.646 13.354 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.819 7.607 10.944 1.00 0.00 H new ATOM 0 HB ILE A 79 0.740 6.084 11.549 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.725 8.456 11.279 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.079 9.044 11.405 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.610 7.035 9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.233 5.940 9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.003 7.703 9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.223 9.172 13.563 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.130 8.018 13.643 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.541 7.421 13.515 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.841 4.349 11.257 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.306 3.109 10.660 1.00 0.00 C ATOM 1318 C GLY A 80 -3.729 3.222 10.144 1.00 0.00 C ATOM 1319 O GLY A 80 -4.093 2.584 9.156 1.00 0.00 O ATOM 0 H GLY A 80 -1.566 4.270 12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.644 2.832 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.251 2.309 11.398 1.00 0.00 H new ATOM 1323 N SER A 81 -4.531 4.047 10.814 1.00 0.00 N ATOM 1324 CA SER A 81 -5.907 4.297 10.395 1.00 0.00 C ATOM 1325 C SER A 81 -5.912 5.018 9.048 1.00 0.00 C ATOM 1326 O SER A 81 -6.632 4.638 8.120 1.00 0.00 O ATOM 1327 CB SER A 81 -6.624 5.142 11.453 1.00 0.00 C ATOM 1328 OG SER A 81 -6.415 4.612 12.752 1.00 0.00 O ATOM 0 H SER A 81 -4.249 4.555 11.652 1.00 0.00 H new ATOM 0 HA SER A 81 -6.432 3.348 10.288 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.260 6.169 11.412 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.692 5.174 11.236 1.00 0.00 H new ATOM 0 HG SER A 81 -5.580 4.969 13.120 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.080 6.053 8.960 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.908 6.835 7.738 1.00 0.00 C ATOM 1336 C LEU A 82 -4.461 5.926 6.594 1.00 0.00 C ATOM 1337 O LEU A 82 -4.989 5.990 5.474 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.880 7.957 8.006 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.503 8.864 6.814 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.111 10.256 7.304 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -2.355 8.259 5.999 1.00 0.00 C ATOM 0 H LEU A 82 -4.504 6.374 9.738 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.854 7.290 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.270 8.590 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.967 7.496 8.383 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.378 8.945 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.848 10.882 6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.950 10.703 7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.255 10.178 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.112 8.920 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.479 8.141 6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.657 7.285 5.613 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.494 5.067 6.899 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.962 4.115 5.934 1.00 0.00 C ATOM 1355 C LEU A 83 -4.059 3.170 5.442 1.00 0.00 C ATOM 1356 O LEU A 83 -4.225 2.978 4.238 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.813 3.315 6.572 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.197 2.213 5.691 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.619 2.799 4.405 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.126 1.444 6.465 1.00 0.00 C ATOM 0 H LEU A 83 -3.059 5.012 7.820 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.580 4.666 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.024 4.011 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.180 2.857 7.491 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.989 1.517 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.190 1.999 3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.411 3.294 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.157 3.523 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.298 0.669 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.662 2.130 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.574 0.984 7.346 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.809 2.599 6.383 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.870 1.646 6.057 1.00 0.00 C ATOM 1374 C ARG A 84 -6.904 2.291 5.134 1.00 0.00 C ATOM 1375 O ARG A 84 -7.254 1.734 4.094 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.553 1.138 7.347 1.00 0.00 C ATOM 1377 CG ARG A 84 -6.851 -0.365 7.359 1.00 0.00 C ATOM 1378 CD ARG A 84 -7.743 -0.809 6.199 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.097 -0.245 6.271 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.204 -0.967 6.481 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.127 -2.278 6.679 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.388 -0.376 6.478 1.00 0.00 N ATOM 0 H ARG A 84 -4.701 2.780 7.381 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.422 0.797 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.915 1.376 8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.487 1.682 7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.911 -0.916 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.333 -0.626 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.281 -0.512 5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.808 -1.897 6.193 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.200 0.763 6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.219 -2.742 6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.976 -2.820 6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.456 0.629 6.316 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.233 -0.925 6.638 1.00 0.00 H new ATOM 1396 N SER A 85 -7.374 3.476 5.518 1.00 0.00 N ATOM 1397 CA SER A 85 -8.397 4.186 4.756 1.00 0.00 C ATOM 1398 C SER A 85 -7.921 4.473 3.330 1.00 0.00 C ATOM 1399 O SER A 85 -8.651 4.244 2.363 1.00 0.00 O ATOM 1400 CB SER A 85 -8.771 5.489 5.471 1.00 0.00 C ATOM 1401 OG SER A 85 -9.255 5.225 6.779 1.00 0.00 O ATOM 0 H SER A 85 -7.061 3.966 6.356 1.00 0.00 H new ATOM 0 HA SER A 85 -9.281 3.551 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.900 6.142 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.531 6.019 4.897 1.00 0.00 H new ATOM 0 HG SER A 85 -8.502 5.022 7.372 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.686 4.959 3.200 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.123 5.250 1.881 1.00 0.00 C ATOM 1409 C HIS A 86 -5.884 3.958 1.101 1.00 0.00 C ATOM 1410 O HIS A 86 -5.987 3.936 -0.129 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.818 6.048 2.001 1.00 0.00 C ATOM 1412 CG HIS A 86 -4.981 7.418 2.596 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -6.199 8.059 2.728 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -4.060 8.277 3.095 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -6.013 9.245 3.275 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -4.727 9.402 3.508 1.00 0.00 N ATOM 0 H HIS A 86 -6.062 5.158 3.982 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.845 5.859 1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.115 5.481 2.611 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.374 6.146 1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.995 8.107 3.156 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.786 9.966 3.495 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.297 10.226 3.927 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.573 2.885 1.825 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.356 1.578 1.211 1.00 0.00 C ATOM 1427 C TYR A 87 -6.626 1.139 0.489 1.00 0.00 C ATOM 1428 O TYR A 87 -6.583 0.742 -0.676 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.958 0.537 2.278 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.460 -0.786 1.710 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.326 -1.660 1.058 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -3.121 -1.153 1.813 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.876 -2.853 0.532 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.665 -2.347 1.283 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.547 -3.193 0.644 1.00 0.00 C ATOM 1436 OH TYR A 87 -3.102 -4.374 0.102 1.00 0.00 O ATOM 0 H TYR A 87 -5.466 2.896 2.839 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.541 1.654 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.180 0.963 2.911 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.819 0.343 2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.370 -1.399 0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.427 -0.495 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.565 -3.519 0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.622 -2.615 1.369 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.140 -4.467 0.265 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.752 1.256 1.188 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.055 0.821 0.681 1.00 0.00 C ATOM 1448 C GLU A 88 -9.338 1.360 -0.723 1.00 0.00 C ATOM 1449 O GLU A 88 -9.839 0.634 -1.583 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.167 1.279 1.635 1.00 0.00 C ATOM 1451 CG GLU A 88 -10.098 0.646 3.019 1.00 0.00 C ATOM 1452 CD GLU A 88 -11.158 1.190 3.966 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.359 0.959 3.715 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -10.799 1.851 4.971 1.00 0.00 O ATOM 0 H GLU A 88 -7.789 1.656 2.125 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.033 -0.267 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.118 2.363 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.133 1.046 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.218 -0.433 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.111 0.822 3.446 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.015 2.629 -0.955 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.377 3.282 -2.210 1.00 0.00 C ATOM 1463 C ARG A 89 -8.298 3.114 -3.281 1.00 0.00 C ATOM 1464 O ARG A 89 -8.613 2.934 -4.457 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.662 4.775 -1.972 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.164 5.517 -3.212 1.00 0.00 C ATOM 1467 CD ARG A 89 -11.397 4.843 -3.818 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.487 4.705 -2.846 1.00 0.00 N ATOM 1469 CZ ARG A 89 -13.193 3.585 -2.654 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -12.932 2.492 -3.362 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -14.162 3.560 -1.748 1.00 0.00 N ATOM 0 H ARG A 89 -8.508 3.221 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.280 2.796 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.403 4.871 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.751 5.256 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.406 6.546 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.370 5.559 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.745 5.425 -4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.122 3.858 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.723 5.519 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.188 2.502 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.476 1.643 -3.208 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.368 4.394 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.701 2.706 -1.601 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.032 3.171 -2.879 1.00 0.00 N ATOM 1486 CA ILE A 90 -5.928 3.186 -3.842 1.00 0.00 C ATOM 1487 C ILE A 90 -5.241 1.824 -3.962 1.00 0.00 C ATOM 1488 O ILE A 90 -5.059 1.307 -5.064 1.00 0.00 O ATOM 1489 CB ILE A 90 -4.869 4.257 -3.461 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.513 5.655 -3.381 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -3.703 4.256 -4.455 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.112 6.137 -4.688 1.00 0.00 C ATOM 0 H ILE A 90 -6.743 3.207 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.370 3.433 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.474 4.003 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.293 5.641 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.760 6.372 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.977 5.015 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.225 3.277 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.077 4.476 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.544 7.128 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.333 6.186 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.890 5.444 -5.009 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.870 1.240 -2.827 1.00 0.00 N ATOM 1505 CA VAL A 91 -3.971 0.083 -2.824 1.00 0.00 C ATOM 1506 C VAL A 91 -4.730 -1.250 -2.766 1.00 0.00 C ATOM 1507 O VAL A 91 -4.163 -2.297 -3.066 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.967 0.163 -1.642 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.877 -0.902 -1.774 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.354 1.561 -1.543 1.00 0.00 C ATOM 0 H VAL A 91 -5.173 1.544 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.425 0.115 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.516 -0.032 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.188 -0.823 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.334 -1.892 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.332 -0.751 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.654 1.593 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.826 1.793 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.144 2.294 -1.382 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.012 -1.219 -2.402 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.793 -2.456 -2.278 1.00 0.00 C ATOM 1522 C TYR A 92 -6.854 -3.205 -3.625 1.00 0.00 C ATOM 1523 O TYR A 92 -6.707 -4.427 -3.656 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.207 -2.180 -1.721 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.827 -3.358 -0.966 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.237 -4.621 -0.975 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -10.005 -3.201 -0.237 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.798 -5.681 -0.287 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.569 -4.257 0.453 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.965 -5.493 0.426 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.527 -6.547 1.114 1.00 0.00 O ATOM 0 H TYR A 92 -6.529 -0.365 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.285 -3.100 -1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.160 -1.320 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.863 -1.907 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.324 -4.775 -1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.486 -2.235 -0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.325 -6.652 -0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.482 -4.113 1.012 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.089 -7.072 0.506 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.068 -2.502 -4.764 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.941 -3.122 -6.093 1.00 0.00 C ATOM 1543 C PRO A 93 -5.550 -3.731 -6.305 1.00 0.00 C ATOM 1544 O PRO A 93 -5.389 -4.733 -7.009 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.180 -1.954 -7.063 1.00 0.00 C ATOM 1546 CG PRO A 93 -7.990 -0.979 -6.280 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.497 -1.088 -4.863 1.00 0.00 C ATOM 0 HA PRO A 93 -7.641 -3.946 -6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.239 -1.514 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.710 -2.283 -7.957 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.862 0.034 -6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.053 -1.212 -6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.672 -0.402 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.282 -0.854 -4.144 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.547 -3.120 -5.675 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.169 -3.594 -5.768 1.00 0.00 C ATOM 1557 C TYR A 94 -2.932 -4.806 -4.871 1.00 0.00 C ATOM 1558 O TYR A 94 -1.974 -5.544 -5.078 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.174 -2.467 -5.448 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.773 -1.669 -6.676 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -2.561 -0.622 -7.152 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -0.612 -1.985 -7.374 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -2.196 0.083 -8.279 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -0.247 -1.285 -8.504 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.040 -0.253 -8.952 1.00 0.00 C ATOM 1566 OH TYR A 94 -0.682 0.439 -10.080 1.00 0.00 O ATOM 0 H TYR A 94 -4.666 -2.291 -5.092 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.000 -3.910 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.617 -1.795 -4.713 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.282 -2.895 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.470 -0.360 -6.631 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.014 -2.793 -7.025 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.813 0.895 -8.634 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.657 -1.545 -9.035 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.660 1.399 -9.882 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.795 -5.007 -3.875 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.791 -6.255 -3.115 1.00 0.00 C ATOM 1578 C GLU A 95 -4.033 -7.409 -4.083 1.00 0.00 C ATOM 1579 O GLU A 95 -3.241 -8.349 -4.167 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.866 -6.229 -2.014 1.00 0.00 C ATOM 1581 CG GLU A 95 -5.076 -7.562 -1.286 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.887 -8.018 -0.443 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -2.904 -7.262 -0.305 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.950 -9.138 0.112 1.00 0.00 O ATOM 0 H GLU A 95 -4.498 -4.330 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.827 -6.383 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.596 -5.470 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.813 -5.921 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.950 -7.475 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.299 -8.333 -2.024 1.00 0.00 H new ATOM 1591 N MET A 96 -5.119 -7.297 -4.850 1.00 0.00 N ATOM 1592 CA MET A 96 -5.413 -8.249 -5.916 1.00 0.00 C ATOM 1593 C MET A 96 -4.215 -8.376 -6.852 1.00 0.00 C ATOM 1594 O MET A 96 -3.674 -9.464 -7.037 1.00 0.00 O ATOM 1595 CB MET A 96 -6.652 -7.810 -6.717 1.00 0.00 C ATOM 1596 CG MET A 96 -7.983 -8.214 -6.094 1.00 0.00 C ATOM 1597 SD MET A 96 -8.196 -10.005 -6.032 1.00 0.00 S ATOM 1598 CE MET A 96 -9.945 -10.137 -5.658 1.00 0.00 C ATOM 0 H MET A 96 -5.810 -6.553 -4.750 1.00 0.00 H new ATOM 0 HA MET A 96 -5.619 -9.217 -5.459 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.632 -6.726 -6.828 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.590 -8.235 -7.719 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.047 -7.808 -5.085 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.798 -7.773 -6.667 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.081 -10.744 -4.763 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.357 -9.142 -5.488 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.462 -10.605 -6.496 1.00 0.00 H new ATOM 1608 N TYR A 97 -3.796 -7.246 -7.414 1.00 0.00 N ATOM 1609 CA TYR A 97 -2.690 -7.211 -8.368 1.00 0.00 C ATOM 1610 C TYR A 97 -1.434 -7.886 -7.795 1.00 0.00 C ATOM 1611 O TYR A 97 -1.066 -8.984 -8.217 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.398 -5.751 -8.759 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.243 -5.568 -9.731 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.392 -5.840 -11.087 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.003 -5.118 -9.290 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.341 -5.669 -11.970 1.00 0.00 C ATOM 1617 CE2 TYR A 97 1.050 -4.944 -10.166 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.877 -5.221 -11.504 1.00 0.00 C ATOM 1619 OH TYR A 97 1.926 -5.046 -12.379 1.00 0.00 O ATOM 0 H TYR A 97 -4.210 -6.334 -7.223 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.978 -7.770 -9.258 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.297 -5.322 -9.201 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.185 -5.183 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.344 -6.191 -11.457 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.139 -4.900 -8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.474 -5.885 -13.020 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.005 -4.592 -9.804 1.00 0.00 H new ATOM 0 HH TYR A 97 2.711 -4.725 -11.888 1.00 0.00 H new ATOM 1629 N GLN A 98 -0.809 -7.244 -6.813 1.00 0.00 N ATOM 1630 CA GLN A 98 0.466 -7.708 -6.268 1.00 0.00 C ATOM 1631 C GLN A 98 0.305 -9.015 -5.486 1.00 0.00 C ATOM 1632 O GLN A 98 0.928 -10.030 -5.822 1.00 0.00 O ATOM 1633 CB GLN A 98 1.088 -6.628 -5.364 1.00 0.00 C ATOM 1634 CG GLN A 98 1.432 -5.332 -6.096 1.00 0.00 C ATOM 1635 CD GLN A 98 2.012 -4.263 -5.181 1.00 0.00 C ATOM 1636 OE1 GLN A 98 1.683 -4.189 -4.000 1.00 0.00 O ATOM 1637 NE2 GLN A 98 2.888 -3.427 -5.722 1.00 0.00 N ATOM 0 H GLN A 98 -1.166 -6.395 -6.375 1.00 0.00 H new ATOM 0 HA GLN A 98 1.131 -7.900 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.395 -6.403 -4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.994 -7.027 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.147 -5.549 -6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.533 -4.943 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.138 -3.517 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.311 -2.694 -5.153 1.00 0.00 H new ATOM 1646 N SER A 99 -0.554 -9.002 -4.471 1.00 0.00 N ATOM 1647 CA SER A 99 -0.680 -10.144 -3.577 1.00 0.00 C ATOM 1648 C SER A 99 -1.397 -11.296 -4.273 1.00 0.00 C ATOM 1649 O SER A 99 -1.061 -12.456 -4.053 1.00 0.00 O ATOM 1650 CB SER A 99 -1.406 -9.745 -2.288 1.00 0.00 C ATOM 1651 OG SER A 99 -0.734 -8.674 -1.644 1.00 0.00 O ATOM 0 H SER A 99 -1.168 -8.218 -4.250 1.00 0.00 H new ATOM 0 HA SER A 99 0.321 -10.482 -3.309 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.431 -9.452 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.462 -10.602 -1.616 1.00 0.00 H new ATOM 0 HG SER A 99 -1.384 -8.126 -1.157 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.360 -10.974 -5.138 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.069 -12.008 -5.867 1.00 0.00 C ATOM 1659 C GLY A 100 -2.172 -12.693 -6.876 1.00 0.00 C ATOM 1660 O GLY A 100 -2.207 -13.918 -7.011 1.00 0.00 O ATOM 0 H GLY A 100 -2.658 -10.020 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.459 -12.746 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.926 -11.571 -6.379 1.00 0.00 H new ATOM 1664 N ALA A 101 -1.357 -11.906 -7.585 1.00 0.00 N ATOM 1665 CA ALA A 101 -0.414 -12.461 -8.554 1.00 0.00 C ATOM 1666 C ALA A 101 0.646 -13.306 -7.855 1.00 0.00 C ATOM 1667 O ALA A 101 1.098 -14.321 -8.391 1.00 0.00 O ATOM 1668 CB ALA A 101 0.243 -11.352 -9.368 1.00 0.00 C ATOM 0 H ALA A 101 -1.333 -10.889 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.972 -13.103 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 101 0.941 -11.789 -10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.523 -10.792 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.782 -10.680 -8.700 1.00 0.00 H new ATOM 1674 N ASN A 102 1.044 -12.877 -6.659 1.00 0.00 N ATOM 1675 CA ASN A 102 2.033 -13.609 -5.868 1.00 0.00 C ATOM 1676 C ASN A 102 1.423 -14.909 -5.329 1.00 0.00 C ATOM 1677 O ASN A 102 1.882 -16.009 -5.656 1.00 0.00 O ATOM 1678 CB ASN A 102 2.544 -12.728 -4.715 1.00 0.00 C ATOM 1679 CG ASN A 102 3.723 -13.335 -3.964 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.856 -14.554 -3.849 1.00 0.00 O ATOM 1681 ND2 ASN A 102 4.592 -12.481 -3.443 1.00 0.00 N ATOM 0 H ASN A 102 0.697 -12.026 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 102 2.878 -13.866 -6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.838 -11.757 -5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.728 -12.552 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.401 -12.827 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.452 -11.477 -3.557 1.00 0.00 H new ATOM 1688 N LEU A 103 0.373 -14.773 -4.523 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.358 -15.919 -3.984 1.00 0.00 C ATOM 1690 C LEU A 103 -1.820 -15.534 -3.750 1.00 0.00 C ATOM 1691 O LEU A 103 -2.123 -14.632 -2.968 1.00 0.00 O ATOM 1692 CB LEU A 103 0.288 -16.437 -2.676 1.00 0.00 C ATOM 1693 CG LEU A 103 0.222 -15.505 -1.443 1.00 0.00 C ATOM 1694 CD1 LEU A 103 0.721 -16.229 -0.194 1.00 0.00 C ATOM 1695 CD2 LEU A 103 1.026 -14.224 -1.668 1.00 0.00 C ATOM 0 H LEU A 103 0.005 -13.869 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.314 -16.729 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.190 -17.381 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.336 -16.656 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.822 -15.227 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.667 -15.557 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.099 -17.105 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.754 -16.543 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.958 -13.592 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.070 -14.477 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.624 -13.688 -2.528 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.733 -16.223 -4.424 1.00 0.00 N ATOM 1708 CA VAL A 104 -4.140 -15.853 -4.369 1.00 0.00 C ATOM 1709 C VAL A 104 -4.852 -16.539 -3.200 1.00 0.00 C ATOM 1710 O VAL A 104 -5.402 -17.633 -3.323 1.00 0.00 O ATOM 1711 CB VAL A 104 -4.867 -16.135 -5.715 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -4.750 -17.603 -6.128 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -6.329 -15.691 -5.645 1.00 0.00 C ATOM 0 H VAL A 104 -2.527 -17.033 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.181 -14.777 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.371 -15.547 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.271 -17.758 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.699 -17.865 -6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.197 -18.234 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.818 -15.898 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.837 -16.237 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.375 -14.622 -5.438 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.774 -15.896 -2.044 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.533 -16.303 -0.862 1.00 0.00 C ATOM 1725 C CYS A 105 -6.280 -15.092 -0.309 1.00 0.00 C ATOM 1726 O CYS A 105 -6.930 -15.157 0.733 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.587 -16.884 0.197 1.00 0.00 C ATOM 1728 SG CYS A 105 -3.598 -18.279 -0.385 1.00 0.00 S ATOM 0 H CYS A 105 -4.184 -15.077 -1.895 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.253 -17.075 -1.134 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.917 -16.096 0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.174 -17.203 1.058 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.831 -18.699 0.577 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.187 -13.993 -1.051 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.744 -12.702 -0.651 1.00 0.00 C ATOM 1736 C ASN A 106 -8.217 -12.591 -1.040 1.00 0.00 C ATOM 1737 O ASN A 106 -9.010 -11.955 -0.346 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.945 -11.575 -1.325 1.00 0.00 C ATOM 1739 CG ASN A 106 -5.954 -11.686 -2.848 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -6.085 -12.781 -3.402 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -5.803 -10.565 -3.532 1.00 0.00 N ATOM 0 H ASN A 106 -5.718 -13.972 -1.957 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.673 -12.615 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.362 -10.612 -1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.916 -11.599 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.792 -10.587 -4.552 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.697 -9.678 -3.040 1.00 0.00 H new ATOM 1748 N THR A 107 -8.579 -13.233 -2.148 1.00 0.00 N ATOM 1749 CA THR A 107 -9.925 -13.123 -2.706 1.00 0.00 C ATOM 1750 C THR A 107 -10.953 -13.905 -1.879 1.00 0.00 C ATOM 1751 O THR A 107 -12.160 -13.780 -2.099 1.00 0.00 O ATOM 1752 CB THR A 107 -9.958 -13.613 -4.177 1.00 0.00 C ATOM 1753 OG1 THR A 107 -11.244 -13.366 -4.764 1.00 0.00 O ATOM 1754 CG2 THR A 107 -9.635 -15.101 -4.274 1.00 0.00 C ATOM 0 H THR A 107 -7.955 -13.839 -2.680 1.00 0.00 H new ATOM 0 HA THR A 107 -10.194 -12.067 -2.674 1.00 0.00 H new ATOM 0 HB THR A 107 -9.198 -13.054 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 107 -11.919 -13.301 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.666 -15.413 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.639 -15.284 -3.870 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.368 -15.670 -3.703 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.482 -14.711 -0.926 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.382 -15.536 -0.120 1.00 0.00 C ATOM 1764 C ARG A 108 -11.955 -14.728 1.061 1.00 0.00 C ATOM 1765 O ARG A 108 -13.174 -14.598 1.179 1.00 0.00 O ATOM 1766 CB ARG A 108 -10.666 -16.822 0.353 1.00 0.00 C ATOM 1767 CG ARG A 108 -11.597 -17.987 0.720 1.00 0.00 C ATOM 1768 CD ARG A 108 -12.402 -17.726 1.988 1.00 0.00 C ATOM 1769 NE ARG A 108 -11.542 -17.455 3.139 1.00 0.00 N ATOM 1770 CZ ARG A 108 -11.943 -16.829 4.245 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -13.199 -16.410 4.363 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -11.084 -16.613 5.228 1.00 0.00 N ATOM 0 H ARG A 108 -9.493 -14.810 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.224 -15.841 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.988 -17.153 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.053 -16.580 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.282 -18.173 -0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.004 -18.892 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.068 -16.879 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.031 -18.590 2.202 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.572 -17.765 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.862 -16.567 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.499 -15.932 5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.117 -16.925 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.389 -16.134 6.075 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.103 -14.156 1.949 1.00 0.00 N ATOM 1787 CA PRO A 109 -11.580 -13.369 3.092 1.00 0.00 C ATOM 1788 C PRO A 109 -11.868 -11.915 2.711 1.00 0.00 C ATOM 1789 O PRO A 109 -12.155 -11.079 3.572 1.00 0.00 O ATOM 1790 CB PRO A 109 -10.407 -13.460 4.069 1.00 0.00 C ATOM 1791 CG PRO A 109 -9.201 -13.506 3.192 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.622 -14.220 1.926 1.00 0.00 C ATOM 0 HA PRO A 109 -12.522 -13.738 3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -10.379 -12.601 4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.478 -14.350 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.843 -12.501 2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.384 -14.034 3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.216 -13.732 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.268 -15.251 1.913 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.793 -11.637 1.410 1.00 0.00 N ATOM 1801 CA PHE A 110 -12.034 -10.302 0.862 1.00 0.00 C ATOM 1802 C PHE A 110 -13.358 -9.745 1.391 1.00 0.00 C ATOM 1803 O PHE A 110 -13.414 -8.642 1.953 1.00 0.00 O ATOM 1804 CB PHE A 110 -12.075 -10.388 -0.674 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.578 -9.157 -1.391 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.290 -7.966 -1.360 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.395 -9.204 -2.115 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -11.831 -6.850 -2.038 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -9.932 -8.092 -2.791 1.00 0.00 C ATOM 1810 CZ PHE A 110 -10.651 -6.914 -2.753 1.00 0.00 C ATOM 0 H PHE A 110 -11.562 -12.335 0.703 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.230 -9.633 1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -11.477 -11.242 -0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -13.101 -10.583 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.212 -7.909 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.828 -10.123 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.395 -5.930 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.009 -8.144 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.291 -6.044 -3.282 1.00 0.00 H new ATOM 1820 N ASP A 111 -14.415 -10.539 1.219 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.748 -10.180 1.692 1.00 0.00 C ATOM 1822 C ASP A 111 -15.717 -9.912 3.187 1.00 0.00 C ATOM 1823 O ASP A 111 -16.225 -8.900 3.659 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.751 -11.309 1.405 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.773 -11.731 -0.054 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -15.900 -12.528 -0.456 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.669 -11.285 -0.803 1.00 0.00 O ATOM 0 H ASP A 111 -14.370 -11.444 0.750 1.00 0.00 H new ATOM 0 HA ASP A 111 -16.063 -9.281 1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.504 -12.172 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -17.749 -10.983 1.698 1.00 0.00 H new ATOM 1832 N ASN A 112 -15.081 -10.828 3.916 1.00 0.00 N ATOM 1833 CA ASN A 112 -15.024 -10.771 5.376 1.00 0.00 C ATOM 1834 C ASN A 112 -14.218 -9.562 5.848 1.00 0.00 C ATOM 1835 O ASN A 112 -14.347 -9.128 6.995 1.00 0.00 O ATOM 1836 CB ASN A 112 -14.413 -12.062 5.945 1.00 0.00 C ATOM 1837 CG ASN A 112 -15.165 -13.329 5.545 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -14.567 -14.400 5.429 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -16.473 -13.229 5.335 1.00 0.00 N ATOM 0 H ASN A 112 -14.592 -11.628 3.513 1.00 0.00 H new ATOM 0 HA ASN A 112 -16.045 -10.670 5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.379 -12.143 5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -14.389 -11.993 7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -17.011 -14.054 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.939 -12.328 5.439 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.372 -9.031 4.970 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.591 -7.843 5.289 1.00 0.00 C ATOM 1848 C GLU A 113 -13.459 -6.597 5.140 1.00 0.00 C ATOM 1849 O GLU A 113 -13.579 -5.793 6.065 1.00 0.00 O ATOM 1850 CB GLU A 113 -11.355 -7.734 4.377 1.00 0.00 C ATOM 1851 CG GLU A 113 -10.073 -7.325 5.107 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.261 -6.169 6.081 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -10.295 -5.003 5.637 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -10.368 -6.430 7.301 1.00 0.00 O ATOM 0 H GLU A 113 -13.211 -9.404 4.035 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.248 -7.925 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.191 -8.695 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.560 -7.008 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.685 -8.186 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.319 -7.048 4.370 1.00 0.00 H new ATOM 1861 N GLU A 114 -14.072 -6.455 3.970 1.00 0.00 N ATOM 1862 CA GLU A 114 -14.883 -5.275 3.670 1.00 0.00 C ATOM 1863 C GLU A 114 -16.178 -5.266 4.484 1.00 0.00 C ATOM 1864 O GLU A 114 -16.698 -4.201 4.832 1.00 0.00 O ATOM 1865 CB GLU A 114 -15.222 -5.209 2.174 1.00 0.00 C ATOM 1866 CG GLU A 114 -14.006 -5.135 1.256 1.00 0.00 C ATOM 1867 CD GLU A 114 -14.379 -4.763 -0.172 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -14.782 -5.658 -0.946 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -14.291 -3.563 -0.520 1.00 0.00 O ATOM 0 H GLU A 114 -14.025 -7.138 3.214 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.291 -4.401 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.810 -6.087 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -15.851 -4.337 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.302 -4.401 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.495 -6.098 1.256 1.00 0.00 H new ATOM 1876 N LYS A 115 -16.678 -6.451 4.807 1.00 0.00 N ATOM 1877 CA LYS A 115 -17.997 -6.599 5.403 1.00 0.00 C ATOM 1878 C LYS A 115 -18.054 -7.861 6.259 1.00 0.00 C ATOM 1879 O LYS A 115 -17.680 -8.940 5.800 1.00 0.00 O ATOM 1880 CB LYS A 115 -19.044 -6.684 4.281 1.00 0.00 C ATOM 1881 CG LYS A 115 -20.488 -6.805 4.763 1.00 0.00 C ATOM 1882 CD LYS A 115 -21.432 -7.165 3.615 1.00 0.00 C ATOM 1883 CE LYS A 115 -21.324 -6.181 2.454 1.00 0.00 C ATOM 1884 NZ LYS A 115 -22.146 -6.603 1.292 1.00 0.00 N ATOM 0 H LYS A 115 -16.183 -7.332 4.664 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.204 -5.739 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.958 -5.796 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.812 -7.543 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.551 -7.567 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -20.803 -5.864 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -21.204 -8.170 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -22.458 -7.181 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -21.643 -5.193 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.281 -6.093 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.045 -5.908 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.825 -7.535 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -23.145 -6.662 1.576 1.00 0.00 H new ATOM 1898 N ASP A 116 -18.502 -7.723 7.500 1.00 0.00 N ATOM 1899 CA ASP A 116 -18.735 -8.884 8.358 1.00 0.00 C ATOM 1900 C ASP A 116 -19.783 -9.787 7.714 1.00 0.00 C ATOM 1901 O ASP A 116 -19.451 -10.801 7.100 1.00 0.00 O ATOM 1902 CB ASP A 116 -19.195 -8.462 9.764 1.00 0.00 C ATOM 1903 CG ASP A 116 -18.099 -7.787 10.573 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -17.976 -6.544 10.502 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -17.366 -8.498 11.297 1.00 0.00 O ATOM 0 H ASP A 116 -18.711 -6.825 7.936 1.00 0.00 H new ATOM 0 HA ASP A 116 -17.795 -9.426 8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -20.042 -7.782 9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -19.547 -9.341 10.303 1.00 0.00 H new ATOM 1910 N LYS A 117 -21.046 -9.386 7.834 1.00 0.00 N ATOM 1911 CA LYS A 117 -22.168 -10.091 7.218 1.00 0.00 C ATOM 1912 C LYS A 117 -23.311 -9.103 7.001 1.00 0.00 C ATOM 1913 O LYS A 117 -23.987 -8.754 7.989 1.00 0.00 O ATOM 1914 CB LYS A 117 -22.650 -11.268 8.093 1.00 0.00 C ATOM 1915 CG LYS A 117 -21.644 -12.407 8.230 1.00 0.00 C ATOM 1916 CD LYS A 117 -22.223 -13.590 8.995 1.00 0.00 C ATOM 1917 CE LYS A 117 -21.200 -14.707 9.161 1.00 0.00 C ATOM 1918 NZ LYS A 117 -21.791 -15.905 9.811 1.00 0.00 N ATOM 1919 OXT LYS A 117 -23.523 -8.666 5.854 1.00 0.00 O ATOM 0 H LYS A 117 -21.322 -8.559 8.364 1.00 0.00 H new ATOM 0 HA LYS A 117 -21.838 -10.505 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -22.890 -10.891 9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -23.573 -11.664 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -21.330 -12.735 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -20.753 -12.044 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -22.562 -13.258 9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -23.097 -13.972 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -20.801 -14.983 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -20.362 -14.346 9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -21.064 -16.643 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -22.149 -15.648 10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -22.575 -16.264 9.229 1.00 0.00 H new TER 1933 LYS A 117