USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 885 hydrogens (23 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 67 GLN : amide:sc= -7.87! C(o=-14!,f=-15!) USER MOD Set 1.2: A 69 HIS : no HD1:sc= -6.18! C(o=-14!,f=-16!) USER MOD Set 1.3: A 88 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 61 GLN : amide:sc= -0.621 K(o=-0.9,f=1.7) USER MOD Set 2.2: A 63 TYR OH : rot 165:sc= -0.281 USER MOD Set 3.1: A 25 GLN : amide:sc= -1.87 K(o=-1.9,f=-2.4!) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0369 X(o=-0.037,f=-0.12) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 24:sc= 0.391 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= -0.0677 (180deg=-2.24!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= -0.286 (180deg=-1.07) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.506 K(o=-0.51,f=-3.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 46 MET CE :methyl 156:sc= -0.425 (180deg=-1.42) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-4.6!) USER MOD Single : A 55 GLN : amide:sc= -0.953 X(o=-0.95,f=-0.76!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 58 MET CE :methyl -149:sc= -3.41 (180deg=-6.46!) USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= -1.68 (180deg=-3.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.44) USER MOD Single : A 72 HIS : no HD1:sc= -3.12 K(o=-3.1,f=-0.61) USER MOD Single : A 73 CYS SG : rot 91:sc= -7.22! USER MOD Single : A 74 SER OG : rot 180:sc= 0.109 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.726 K(o=-0.73,f=-0.1) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 170:sc= -0.0374 (180deg=-0.265) USER MOD Single : A 100 SER OG : rot 84:sc= -0.703 USER MOD Single : A 102 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.9) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0118 K(o=-0.012,f=-0.53) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= -0.0558 USER MOD Single : A 118 ASN : amide:sc= -0.658 K(o=-0.66,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 13 21.533 22.790 8.694 1.00 1.00 N ATOM 2 CA ASN A 13 20.661 21.635 8.355 1.00 1.00 C ATOM 3 C ASN A 13 19.239 21.851 8.860 1.00 1.00 C ATOM 4 O ASN A 13 18.587 20.917 9.327 1.00 1.00 O ATOM 5 CB ASN A 13 21.258 20.373 8.981 1.00 1.00 C ATOM 6 CG ASN A 13 21.336 20.460 10.493 1.00 1.00 C ATOM 7 OD1 ASN A 13 20.409 20.060 11.198 1.00 1.00 O ATOM 8 ND2 ASN A 13 22.446 20.984 10.999 1.00 1.00 N ATOM 0 HA ASN A 13 20.612 21.530 7.271 1.00 1.00 H new ATOM 0 HB2 ASN A 13 20.654 19.510 8.700 1.00 1.00 H new ATOM 0 HB3 ASN A 13 22.257 20.208 8.577 1.00 1.00 H new ATOM 0 HD21 ASN A 13 22.556 21.068 12.010 1.00 1.00 H new ATOM 0 HD22 ASN A 13 23.189 21.303 10.377 1.00 1.00 H new ATOM 17 N HIS A 14 18.763 23.088 8.764 1.00 1.00 N ATOM 18 CA HIS A 14 17.417 23.427 9.212 1.00 1.00 C ATOM 19 C HIS A 14 16.367 22.790 8.308 1.00 1.00 C ATOM 20 O HIS A 14 16.587 22.619 7.109 1.00 1.00 O ATOM 21 CB HIS A 14 17.233 24.945 9.237 1.00 1.00 C ATOM 22 CG HIS A 14 17.781 25.594 10.470 1.00 1.00 C ATOM 23 ND1 HIS A 14 19.106 25.506 10.842 1.00 1.00 N ATOM 24 CD2 HIS A 14 17.175 26.345 11.420 1.00 1.00 C ATOM 25 CE1 HIS A 14 19.291 26.174 11.967 1.00 1.00 C ATOM 26 NE2 HIS A 14 18.135 26.692 12.338 1.00 1.00 N ATOM 0 H HIS A 14 19.289 23.873 8.380 1.00 1.00 H new ATOM 0 HA HIS A 14 17.287 23.036 10.221 1.00 1.00 H new ATOM 0 HB2 HIS A 14 17.720 25.376 8.362 1.00 1.00 H new ATOM 0 HB3 HIS A 14 16.171 25.175 9.157 1.00 1.00 H new ATOM 0 HD2 HIS A 14 16.131 26.620 11.450 1.00 1.00 H new ATOM 0 HE1 HIS A 14 20.228 26.278 12.493 1.00 1.00 H new ATOM 0 HE2 HIS A 14 17.980 27.259 13.172 1.00 1.00 H new ATOM 35 N ILE A 15 15.225 22.441 8.891 1.00 1.00 N ATOM 36 CA ILE A 15 14.140 21.823 8.137 1.00 1.00 C ATOM 37 C ILE A 15 12.778 22.207 8.708 1.00 1.00 C ATOM 38 O ILE A 15 11.846 22.509 7.962 1.00 1.00 O ATOM 39 CB ILE A 15 14.265 20.287 8.125 1.00 1.00 C ATOM 40 CG1 ILE A 15 14.478 19.758 9.545 1.00 1.00 C ATOM 41 CG2 ILE A 15 15.407 19.857 7.215 1.00 1.00 C ATOM 42 CD1 ILE A 15 14.630 18.253 9.616 1.00 1.00 C ATOM 0 H ILE A 15 15.027 22.575 9.882 1.00 1.00 H new ATOM 0 HA ILE A 15 14.218 22.195 7.115 1.00 1.00 H new ATOM 0 HB ILE A 15 13.338 19.864 7.737 1.00 1.00 H new ATOM 0 HG12 ILE A 15 15.368 20.225 9.968 1.00 1.00 H new ATOM 0 HG13 ILE A 15 13.634 20.059 10.166 1.00 1.00 H new ATOM 0 HG21 ILE A 15 15.484 18.770 7.216 1.00 1.00 H new ATOM 0 HG22 ILE A 15 15.215 20.206 6.200 1.00 1.00 H new ATOM 0 HG23 ILE A 15 16.341 20.287 7.576 1.00 1.00 H new ATOM 0 HD11 ILE A 15 14.778 17.951 10.653 1.00 1.00 H new ATOM 0 HD12 ILE A 15 13.731 17.778 9.224 1.00 1.00 H new ATOM 0 HD13 ILE A 15 15.491 17.946 9.023 1.00 1.00 H new ATOM 54 N SER A 16 12.668 22.193 10.034 1.00 1.00 N ATOM 55 CA SER A 16 11.410 22.542 10.703 1.00 1.00 C ATOM 56 C SER A 16 10.357 21.462 10.472 1.00 1.00 C ATOM 57 O SER A 16 9.938 20.779 11.407 1.00 1.00 O ATOM 58 CB SER A 16 10.890 23.890 10.196 1.00 1.00 C ATOM 59 OG SER A 16 10.290 24.632 11.243 1.00 1.00 O ATOM 0 H SER A 16 13.429 21.946 10.667 1.00 1.00 H new ATOM 0 HA SER A 16 11.606 22.616 11.773 1.00 1.00 H new ATOM 0 HB2 SER A 16 11.712 24.462 9.766 1.00 1.00 H new ATOM 0 HB3 SER A 16 10.164 23.727 9.399 1.00 1.00 H new ATOM 0 HG SER A 16 9.968 25.489 10.894 1.00 1.00 H new ATOM 65 N THR A 17 9.933 21.315 9.221 1.00 1.00 N ATOM 66 CA THR A 17 8.929 20.318 8.867 1.00 1.00 C ATOM 67 C THR A 17 9.392 19.478 7.681 1.00 1.00 C ATOM 68 O THR A 17 10.388 19.798 7.033 1.00 1.00 O ATOM 69 CB THR A 17 7.599 20.998 8.537 1.00 1.00 C ATOM 70 OG1 THR A 17 7.443 22.186 9.292 1.00 1.00 O ATOM 71 CG2 THR A 17 6.395 20.121 8.806 1.00 1.00 C ATOM 0 H THR A 17 10.269 21.873 8.436 1.00 1.00 H new ATOM 0 HA THR A 17 8.789 19.659 9.724 1.00 1.00 H new ATOM 0 HB THR A 17 7.641 21.211 7.469 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.588 22.607 9.066 1.00 1.00 H new ATOM 0 HG21 THR A 17 5.485 20.664 8.551 1.00 1.00 H new ATOM 0 HG22 THR A 17 6.460 19.217 8.200 1.00 1.00 H new ATOM 0 HG23 THR A 17 6.371 19.849 9.861 1.00 1.00 H new ATOM 79 N SER A 18 8.662 18.403 7.402 1.00 1.00 N ATOM 80 CA SER A 18 8.998 17.518 6.293 1.00 1.00 C ATOM 81 C SER A 18 8.980 18.274 4.969 1.00 1.00 C ATOM 82 O SER A 18 7.965 18.859 4.591 1.00 1.00 O ATOM 83 CB SER A 18 8.020 16.343 6.236 1.00 1.00 C ATOM 84 OG SER A 18 6.689 16.795 6.057 1.00 1.00 O ATOM 0 H SER A 18 7.834 18.124 7.929 1.00 1.00 H new ATOM 0 HA SER A 18 10.005 17.136 6.459 1.00 1.00 H new ATOM 0 HB2 SER A 18 8.294 15.677 5.418 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.090 15.763 7.156 1.00 1.00 H new ATOM 0 HG SER A 18 6.698 17.679 5.633 1.00 1.00 H new ATOM 90 N ASP A 19 10.110 18.259 4.269 1.00 1.00 N ATOM 91 CA ASP A 19 10.223 18.945 2.987 1.00 1.00 C ATOM 92 C ASP A 19 10.034 17.971 1.827 1.00 1.00 C ATOM 93 O ASP A 19 10.568 18.177 0.737 1.00 1.00 O ATOM 94 CB ASP A 19 11.585 19.633 2.872 1.00 1.00 C ATOM 95 CG ASP A 19 11.552 21.065 3.370 1.00 1.00 C ATOM 96 OD1 ASP A 19 11.273 21.970 2.556 1.00 1.00 O ATOM 97 OD2 ASP A 19 11.806 21.281 4.573 1.00 1.00 O ATOM 0 H ASP A 19 10.959 17.780 4.568 1.00 1.00 H new ATOM 0 HA ASP A 19 9.436 19.698 2.937 1.00 1.00 H new ATOM 0 HB2 ASP A 19 12.323 19.069 3.443 1.00 1.00 H new ATOM 0 HB3 ASP A 19 11.909 19.620 1.831 1.00 1.00 H new ATOM 102 N GLN A 20 9.269 16.911 2.068 1.00 1.00 N ATOM 103 CA GLN A 20 9.008 15.907 1.046 1.00 1.00 C ATOM 104 C GLN A 20 7.532 15.914 0.653 1.00 1.00 C ATOM 105 O GLN A 20 6.652 15.810 1.507 1.00 1.00 O ATOM 106 CB GLN A 20 9.424 14.522 1.557 1.00 1.00 C ATOM 107 CG GLN A 20 8.785 13.366 0.804 1.00 1.00 C ATOM 108 CD GLN A 20 9.224 12.013 1.329 1.00 1.00 C ATOM 109 OE1 GLN A 20 8.712 11.531 2.340 1.00 1.00 O ATOM 110 NE2 GLN A 20 10.178 11.393 0.645 1.00 1.00 N ATOM 0 H GLN A 20 8.819 16.726 2.964 1.00 1.00 H new ATOM 0 HA GLN A 20 9.596 16.145 0.160 1.00 1.00 H new ATOM 0 HB2 GLN A 20 10.508 14.432 1.488 1.00 1.00 H new ATOM 0 HB3 GLN A 20 9.164 14.442 2.612 1.00 1.00 H new ATOM 0 HG2 GLN A 20 7.700 13.445 0.877 1.00 1.00 H new ATOM 0 HG3 GLN A 20 9.040 13.441 -0.253 1.00 1.00 H new ATOM 0 HE21 GLN A 20 10.574 11.829 -0.187 1.00 1.00 H new ATOM 0 HE22 GLN A 20 10.515 10.480 0.952 1.00 1.00 H new ATOM 119 N GLU A 21 7.269 16.038 -0.644 1.00 1.00 N ATOM 120 CA GLU A 21 5.901 16.061 -1.147 1.00 1.00 C ATOM 121 C GLU A 21 5.558 14.754 -1.856 1.00 1.00 C ATOM 122 O GLU A 21 6.275 13.762 -1.727 1.00 1.00 O ATOM 123 CB GLU A 21 5.706 17.245 -2.098 1.00 1.00 C ATOM 124 CG GLU A 21 4.681 18.254 -1.608 1.00 1.00 C ATOM 125 CD GLU A 21 3.338 18.103 -2.295 1.00 1.00 C ATOM 126 OE1 GLU A 21 2.916 16.950 -2.524 1.00 1.00 O ATOM 127 OE2 GLU A 21 2.709 19.136 -2.603 1.00 1.00 O ATOM 0 H GLU A 21 7.985 16.124 -1.365 1.00 1.00 H new ATOM 0 HA GLU A 21 5.228 16.175 -0.297 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.662 17.749 -2.238 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.397 16.870 -3.074 1.00 1.00 H new ATOM 0 HG2 GLU A 21 4.549 18.139 -0.532 1.00 1.00 H new ATOM 0 HG3 GLU A 21 5.060 19.262 -1.777 1.00 1.00 H new ATOM 134 N LYS A 22 4.452 14.760 -2.600 1.00 1.00 N ATOM 135 CA LYS A 22 4.004 13.573 -3.329 1.00 1.00 C ATOM 136 C LYS A 22 3.415 12.529 -2.382 1.00 1.00 C ATOM 137 O LYS A 22 3.077 11.422 -2.802 1.00 1.00 O ATOM 138 CB LYS A 22 5.163 12.956 -4.112 1.00 1.00 C ATOM 139 CG LYS A 22 5.993 13.973 -4.878 1.00 1.00 C ATOM 140 CD LYS A 22 5.383 14.279 -6.236 1.00 1.00 C ATOM 141 CE LYS A 22 6.055 13.480 -7.341 1.00 1.00 C ATOM 142 NZ LYS A 22 5.160 13.297 -8.517 1.00 1.00 N ATOM 0 H LYS A 22 3.849 15.575 -2.714 1.00 1.00 H new ATOM 0 HA LYS A 22 3.226 13.889 -4.024 1.00 1.00 H new ATOM 0 HB2 LYS A 22 5.811 12.418 -3.420 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.766 12.222 -4.813 1.00 1.00 H new ATOM 0 HG2 LYS A 22 6.071 14.892 -4.297 1.00 1.00 H new ATOM 0 HG3 LYS A 22 7.006 13.592 -5.010 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.317 14.051 -6.217 1.00 1.00 H new ATOM 0 HD3 LYS A 22 5.477 15.344 -6.447 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.966 13.989 -7.654 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.351 12.505 -6.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 4.964 12.284 -8.650 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.267 13.804 -8.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 5.623 13.675 -9.368 1.00 1.00 H new ATOM 156 N LEU A 23 3.297 12.881 -1.106 1.00 1.00 N ATOM 157 CA LEU A 23 2.752 11.966 -0.109 1.00 1.00 C ATOM 158 C LEU A 23 1.273 11.701 -0.362 1.00 1.00 C ATOM 159 O LEU A 23 0.588 12.495 -1.007 1.00 1.00 O ATOM 160 CB LEU A 23 2.933 12.523 1.309 1.00 1.00 C ATOM 161 CG LEU A 23 4.181 13.387 1.535 1.00 1.00 C ATOM 162 CD1 LEU A 23 3.785 14.819 1.867 1.00 1.00 C ATOM 163 CD2 LEU A 23 5.042 12.804 2.648 1.00 1.00 C ATOM 0 H LEU A 23 3.571 13.792 -0.738 1.00 1.00 H new ATOM 0 HA LEU A 23 3.302 11.029 -0.195 1.00 1.00 H new ATOM 0 HB2 LEU A 23 2.054 13.116 1.561 1.00 1.00 H new ATOM 0 HB3 LEU A 23 2.963 11.686 2.006 1.00 1.00 H new ATOM 0 HG LEU A 23 4.765 13.393 0.614 1.00 1.00 H new ATOM 0 HD11 LEU A 23 4.682 15.418 2.024 1.00 1.00 H new ATOM 0 HD12 LEU A 23 3.209 15.238 1.042 1.00 1.00 H new ATOM 0 HD13 LEU A 23 3.179 14.828 2.773 1.00 1.00 H new ATOM 0 HD21 LEU A 23 5.922 13.431 2.793 1.00 1.00 H new ATOM 0 HD22 LEU A 23 4.466 12.768 3.573 1.00 1.00 H new ATOM 0 HD23 LEU A 23 5.355 11.796 2.376 1.00 1.00 H new ATOM 175 N VAL A 24 0.785 10.583 0.165 1.00 1.00 N ATOM 176 CA VAL A 24 -0.616 10.213 0.016 1.00 1.00 C ATOM 177 C VAL A 24 -1.272 10.069 1.384 1.00 1.00 C ATOM 178 O VAL A 24 -0.585 10.021 2.405 1.00 1.00 O ATOM 179 CB VAL A 24 -0.778 8.900 -0.774 1.00 1.00 C ATOM 180 CG1 VAL A 24 -0.285 9.074 -2.202 1.00 1.00 C ATOM 181 CG2 VAL A 24 -0.044 7.761 -0.084 1.00 1.00 C ATOM 0 H VAL A 24 1.341 9.916 0.700 1.00 1.00 H new ATOM 0 HA VAL A 24 -1.106 11.009 -0.544 1.00 1.00 H new ATOM 0 HB VAL A 24 -1.838 8.647 -0.806 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -0.407 8.137 -2.746 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.863 9.857 -2.694 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.769 9.353 -2.192 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -0.172 6.844 -0.659 1.00 1.00 H new ATOM 0 HG22 VAL A 24 1.017 8.001 -0.015 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -0.450 7.620 0.918 1.00 1.00 H new ATOM 191 N GLN A 25 -2.598 10.016 1.409 1.00 1.00 N ATOM 192 CA GLN A 25 -3.326 9.896 2.666 1.00 1.00 C ATOM 193 C GLN A 25 -4.114 8.587 2.739 1.00 1.00 C ATOM 194 O GLN A 25 -5.210 8.482 2.192 1.00 1.00 O ATOM 195 CB GLN A 25 -4.272 11.086 2.835 1.00 1.00 C ATOM 196 CG GLN A 25 -4.925 11.155 4.204 1.00 1.00 C ATOM 197 CD GLN A 25 -4.134 11.997 5.186 1.00 1.00 C ATOM 198 OE1 GLN A 25 -3.481 11.470 6.088 1.00 1.00 O ATOM 199 NE2 GLN A 25 -4.187 13.313 5.015 1.00 1.00 N ATOM 0 H GLN A 25 -3.188 10.054 0.578 1.00 1.00 H new ATOM 0 HA GLN A 25 -2.597 9.891 3.476 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -3.717 12.008 2.660 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -5.050 11.032 2.073 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -5.929 11.568 4.103 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -5.034 10.146 4.602 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -4.741 13.707 4.254 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -3.674 13.930 5.644 1.00 1.00 H new ATOM 208 N PRO A 26 -3.565 7.568 3.424 1.00 1.00 N ATOM 209 CA PRO A 26 -4.229 6.267 3.571 1.00 1.00 C ATOM 210 C PRO A 26 -5.548 6.380 4.327 1.00 1.00 C ATOM 211 O PRO A 26 -5.618 7.018 5.377 1.00 1.00 O ATOM 212 CB PRO A 26 -3.229 5.435 4.387 1.00 1.00 C ATOM 213 CG PRO A 26 -1.925 6.140 4.236 1.00 1.00 C ATOM 214 CD PRO A 26 -2.263 7.596 4.110 1.00 1.00 C ATOM 0 HA PRO A 26 -4.478 5.830 2.604 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -3.527 5.376 5.434 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -3.170 4.412 4.014 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -1.281 5.961 5.097 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -1.388 5.785 3.357 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -2.329 8.082 5.083 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -1.513 8.137 3.533 1.00 1.00 H new ATOM 222 N THR A 27 -6.592 5.751 3.795 1.00 1.00 N ATOM 223 CA THR A 27 -7.903 5.780 4.433 1.00 1.00 C ATOM 224 C THR A 27 -7.799 5.344 5.893 1.00 1.00 C ATOM 225 O THR A 27 -6.821 4.710 6.290 1.00 1.00 O ATOM 226 CB THR A 27 -8.879 4.870 3.685 1.00 1.00 C ATOM 227 OG1 THR A 27 -8.225 3.696 3.234 1.00 1.00 O ATOM 228 CG2 THR A 27 -9.512 5.533 2.481 1.00 1.00 C ATOM 0 H THR A 27 -6.556 5.217 2.927 1.00 1.00 H new ATOM 0 HA THR A 27 -8.277 6.803 4.399 1.00 1.00 H new ATOM 0 HB THR A 27 -9.663 4.634 4.404 1.00 1.00 H new ATOM 0 HG1 THR A 27 -8.866 3.126 2.760 1.00 1.00 H new ATOM 0 HG21 THR A 27 -10.193 4.833 1.996 1.00 1.00 H new ATOM 0 HG22 THR A 27 -10.066 6.416 2.801 1.00 1.00 H new ATOM 0 HG23 THR A 27 -8.734 5.828 1.777 1.00 1.00 H new ATOM 236 N PRO A 28 -8.805 5.680 6.718 1.00 1.00 N ATOM 237 CA PRO A 28 -8.817 5.321 8.137 1.00 1.00 C ATOM 238 C PRO A 28 -8.468 3.854 8.365 1.00 1.00 C ATOM 239 O PRO A 28 -7.930 3.489 9.410 1.00 1.00 O ATOM 240 CB PRO A 28 -10.260 5.609 8.584 1.00 1.00 C ATOM 241 CG PRO A 28 -11.018 5.952 7.341 1.00 1.00 C ATOM 242 CD PRO A 28 -10.006 6.431 6.341 1.00 1.00 C ATOM 0 HA PRO A 28 -8.072 5.884 8.699 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -10.695 4.741 9.079 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -10.290 6.432 9.298 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -11.556 5.083 6.962 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -11.761 6.724 7.541 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -10.314 6.216 5.318 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -9.849 7.508 6.407 1.00 1.00 H new ATOM 250 N LEU A 29 -8.772 3.018 7.377 1.00 1.00 N ATOM 251 CA LEU A 29 -8.484 1.592 7.469 1.00 1.00 C ATOM 252 C LEU A 29 -6.992 1.332 7.295 1.00 1.00 C ATOM 253 O LEU A 29 -6.326 0.836 8.205 1.00 1.00 O ATOM 254 CB LEU A 29 -9.279 0.820 6.414 1.00 1.00 C ATOM 255 CG LEU A 29 -9.041 -0.692 6.393 1.00 1.00 C ATOM 256 CD1 LEU A 29 -9.116 -1.270 7.799 1.00 1.00 C ATOM 257 CD2 LEU A 29 -10.050 -1.373 5.482 1.00 1.00 C ATOM 0 H LEU A 29 -9.217 3.304 6.505 1.00 1.00 H new ATOM 0 HA LEU A 29 -8.783 1.246 8.459 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -10.341 1.002 6.578 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -9.035 1.223 5.431 1.00 1.00 H new ATOM 0 HG LEU A 29 -8.040 -0.877 6.003 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -8.944 -2.346 7.760 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -8.356 -0.803 8.425 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -10.102 -1.076 8.220 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -9.868 -2.448 5.477 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -11.059 -1.177 5.846 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -9.947 -0.983 4.469 1.00 1.00 H new ATOM 269 N LEU A 30 -6.467 1.681 6.123 1.00 1.00 N ATOM 270 CA LEU A 30 -5.049 1.495 5.836 1.00 1.00 C ATOM 271 C LEU A 30 -4.200 2.169 6.908 1.00 1.00 C ATOM 272 O LEU A 30 -3.127 1.683 7.268 1.00 1.00 O ATOM 273 CB LEU A 30 -4.704 2.065 4.459 1.00 1.00 C ATOM 274 CG LEU A 30 -3.304 1.723 3.947 1.00 1.00 C ATOM 275 CD1 LEU A 30 -3.079 0.219 3.972 1.00 1.00 C ATOM 276 CD2 LEU A 30 -3.102 2.271 2.543 1.00 1.00 C ATOM 0 H LEU A 30 -7.002 2.093 5.359 1.00 1.00 H new ATOM 0 HA LEU A 30 -4.834 0.426 5.836 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.436 1.701 3.738 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.805 3.150 4.496 1.00 1.00 H new ATOM 0 HG LEU A 30 -2.572 2.190 4.607 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -2.078 -0.005 3.604 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -3.181 -0.147 4.994 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.817 -0.270 3.336 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -2.101 2.018 2.194 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -3.841 1.833 1.872 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -3.219 3.355 2.555 1.00 1.00 H new ATOM 288 N LEU A 31 -4.698 3.292 7.416 1.00 1.00 N ATOM 289 CA LEU A 31 -4.005 4.047 8.454 1.00 1.00 C ATOM 290 C LEU A 31 -3.655 3.156 9.644 1.00 1.00 C ATOM 291 O LEU A 31 -2.483 2.971 9.968 1.00 1.00 O ATOM 292 CB LEU A 31 -4.874 5.219 8.919 1.00 1.00 C ATOM 293 CG LEU A 31 -4.445 6.590 8.397 1.00 1.00 C ATOM 294 CD1 LEU A 31 -5.398 7.670 8.887 1.00 1.00 C ATOM 295 CD2 LEU A 31 -3.019 6.898 8.827 1.00 1.00 C ATOM 0 H LEU A 31 -5.585 3.701 7.123 1.00 1.00 H new ATOM 0 HA LEU A 31 -3.077 4.430 8.030 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -5.902 5.034 8.608 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -4.870 5.245 10.009 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.480 6.572 7.308 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.077 8.639 8.505 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -6.405 7.455 8.530 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -5.396 7.690 9.977 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -2.728 7.878 8.448 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -2.959 6.898 9.915 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -2.346 6.139 8.427 1.00 1.00 H new ATOM 307 N SER A 32 -4.682 2.609 10.291 1.00 1.00 N ATOM 308 CA SER A 32 -4.486 1.738 11.449 1.00 1.00 C ATOM 309 C SER A 32 -3.419 0.684 11.173 1.00 1.00 C ATOM 310 O SER A 32 -2.589 0.392 12.034 1.00 1.00 O ATOM 311 CB SER A 32 -5.803 1.060 11.832 1.00 1.00 C ATOM 312 OG SER A 32 -5.941 0.972 13.240 1.00 1.00 O ATOM 0 H SER A 32 -5.658 2.753 10.033 1.00 1.00 H new ATOM 0 HA SER A 32 -4.147 2.357 12.280 1.00 1.00 H new ATOM 0 HB2 SER A 32 -6.639 1.622 11.416 1.00 1.00 H new ATOM 0 HB3 SER A 32 -5.842 0.062 11.397 1.00 1.00 H new ATOM 0 HG SER A 32 -6.791 0.537 13.459 1.00 1.00 H new ATOM 318 N LEU A 33 -3.430 0.123 9.965 1.00 1.00 N ATOM 319 CA LEU A 33 -2.438 -0.884 9.597 1.00 1.00 C ATOM 320 C LEU A 33 -1.045 -0.282 9.701 1.00 1.00 C ATOM 321 O LEU A 33 -0.127 -0.892 10.250 1.00 1.00 O ATOM 322 CB LEU A 33 -2.673 -1.414 8.178 1.00 1.00 C ATOM 323 CG LEU A 33 -4.127 -1.398 7.696 1.00 1.00 C ATOM 324 CD1 LEU A 33 -4.250 -2.100 6.353 1.00 1.00 C ATOM 325 CD2 LEU A 33 -5.039 -2.051 8.725 1.00 1.00 C ATOM 0 H LEU A 33 -4.105 0.345 9.234 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.533 -1.724 10.285 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -2.073 -0.824 7.485 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.304 -2.438 8.126 1.00 1.00 H new ATOM 0 HG LEU A 33 -4.437 -0.360 7.572 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -5.289 -2.079 6.026 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -3.628 -1.590 5.618 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.921 -3.135 6.452 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -6.068 -2.030 8.365 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -4.730 -3.085 8.881 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.973 -1.507 9.667 1.00 1.00 H new ATOM 337 N LEU A 34 -0.908 0.937 9.190 1.00 1.00 N ATOM 338 CA LEU A 34 0.358 1.650 9.243 1.00 1.00 C ATOM 339 C LEU A 34 0.678 2.002 10.687 1.00 1.00 C ATOM 340 O LEU A 34 1.797 1.805 11.161 1.00 1.00 O ATOM 341 CB LEU A 34 0.283 2.926 8.400 1.00 1.00 C ATOM 342 CG LEU A 34 0.020 2.702 6.911 1.00 1.00 C ATOM 343 CD1 LEU A 34 -0.227 4.028 6.208 1.00 1.00 C ATOM 344 CD2 LEU A 34 1.188 1.966 6.276 1.00 1.00 C ATOM 0 H LEU A 34 -1.662 1.451 8.734 1.00 1.00 H new ATOM 0 HA LEU A 34 1.145 1.012 8.840 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -0.506 3.563 8.801 1.00 1.00 H new ATOM 0 HB3 LEU A 34 1.220 3.472 8.510 1.00 1.00 H new ATOM 0 HG LEU A 34 -0.874 2.088 6.803 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -0.412 3.849 5.149 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -1.094 4.518 6.650 1.00 1.00 H new ATOM 0 HD13 LEU A 34 0.648 4.668 6.320 1.00 1.00 H new ATOM 0 HD21 LEU A 34 0.988 1.813 5.215 1.00 1.00 H new ATOM 0 HD22 LEU A 34 2.097 2.557 6.392 1.00 1.00 H new ATOM 0 HD23 LEU A 34 1.318 1.000 6.764 1.00 1.00 H new ATOM 356 N LYS A 35 -0.332 2.517 11.380 1.00 1.00 N ATOM 357 CA LYS A 35 -0.203 2.901 12.779 1.00 1.00 C ATOM 358 C LYS A 35 0.440 1.783 13.595 1.00 1.00 C ATOM 359 O LYS A 35 1.207 2.038 14.524 1.00 1.00 O ATOM 360 CB LYS A 35 -1.585 3.241 13.345 1.00 1.00 C ATOM 361 CG LYS A 35 -2.087 4.628 12.964 1.00 1.00 C ATOM 362 CD LYS A 35 -1.017 5.694 13.153 1.00 1.00 C ATOM 363 CE LYS A 35 -1.606 7.093 13.076 1.00 1.00 C ATOM 364 NZ LYS A 35 -2.812 7.237 13.938 1.00 1.00 N ATOM 0 H LYS A 35 -1.260 2.679 10.988 1.00 1.00 H new ATOM 0 HA LYS A 35 0.442 3.777 12.843 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -2.302 2.498 12.996 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -1.550 3.164 14.432 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -2.413 4.622 11.924 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -2.958 4.877 13.570 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -0.530 5.555 14.118 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -0.248 5.579 12.389 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -0.854 7.821 13.380 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -1.869 7.320 12.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -2.850 8.202 14.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -3.666 7.056 13.373 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -2.763 6.553 14.720 1.00 1.00 H new ATOM 378 N SER A 36 0.121 0.545 13.238 1.00 1.00 N ATOM 379 CA SER A 36 0.665 -0.618 13.929 1.00 1.00 C ATOM 380 C SER A 36 1.936 -1.120 13.245 1.00 1.00 C ATOM 381 O SER A 36 2.748 -1.812 13.860 1.00 1.00 O ATOM 382 CB SER A 36 -0.379 -1.737 13.982 1.00 1.00 C ATOM 383 OG SER A 36 -0.713 -2.060 15.321 1.00 1.00 O ATOM 0 H SER A 36 -0.514 0.320 12.472 1.00 1.00 H new ATOM 0 HA SER A 36 0.921 -0.318 14.945 1.00 1.00 H new ATOM 0 HB2 SER A 36 -1.276 -1.428 13.445 1.00 1.00 H new ATOM 0 HB3 SER A 36 0.006 -2.622 13.476 1.00 1.00 H new ATOM 0 HG SER A 36 -1.382 -2.776 15.328 1.00 1.00 H new ATOM 389 N ALA A 37 2.103 -0.772 11.971 1.00 1.00 N ATOM 390 CA ALA A 37 3.275 -1.195 11.211 1.00 1.00 C ATOM 391 C ALA A 37 4.507 -0.357 11.557 1.00 1.00 C ATOM 392 O ALA A 37 5.619 -0.678 11.138 1.00 1.00 O ATOM 393 CB ALA A 37 2.989 -1.127 9.717 1.00 1.00 C ATOM 0 H ALA A 37 1.443 -0.200 11.445 1.00 1.00 H new ATOM 0 HA ALA A 37 3.492 -2.227 11.485 1.00 1.00 H new ATOM 0 HB1 ALA A 37 3.872 -1.445 9.163 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.153 -1.784 9.476 1.00 1.00 H new ATOM 0 HB3 ALA A 37 2.737 -0.103 9.441 1.00 1.00 H new ATOM 399 N GLY A 38 4.309 0.714 12.324 1.00 1.00 N ATOM 400 CA GLY A 38 5.422 1.565 12.705 1.00 1.00 C ATOM 401 C GLY A 38 5.309 2.967 12.137 1.00 1.00 C ATOM 402 O GLY A 38 6.308 3.565 11.739 1.00 1.00 O ATOM 0 H GLY A 38 3.401 1.006 12.686 1.00 1.00 H new ATOM 0 HA2 GLY A 38 5.475 1.621 13.792 1.00 1.00 H new ATOM 0 HA3 GLY A 38 6.353 1.113 12.363 1.00 1.00 H new ATOM 406 N ALA A 39 4.088 3.491 12.097 1.00 1.00 N ATOM 407 CA ALA A 39 3.845 4.830 11.572 1.00 1.00 C ATOM 408 C ALA A 39 3.406 5.783 12.691 1.00 1.00 C ATOM 409 O ALA A 39 2.751 5.358 13.643 1.00 1.00 O ATOM 410 CB ALA A 39 2.794 4.776 10.475 1.00 1.00 C ATOM 0 H ALA A 39 3.251 3.008 12.422 1.00 1.00 H new ATOM 0 HA ALA A 39 4.775 5.211 11.150 1.00 1.00 H new ATOM 0 HB1 ALA A 39 2.619 5.780 10.089 1.00 1.00 H new ATOM 0 HB2 ALA A 39 3.144 4.133 9.668 1.00 1.00 H new ATOM 0 HB3 ALA A 39 1.865 4.376 10.881 1.00 1.00 H new ATOM 416 N GLN A 40 3.768 7.068 12.589 1.00 1.00 N ATOM 417 CA GLN A 40 3.398 8.040 13.615 1.00 1.00 C ATOM 418 C GLN A 40 2.720 9.273 13.014 1.00 1.00 C ATOM 419 O GLN A 40 2.674 10.329 13.646 1.00 1.00 O ATOM 420 CB GLN A 40 4.635 8.461 14.410 1.00 1.00 C ATOM 421 CG GLN A 40 4.437 8.410 15.916 1.00 1.00 C ATOM 422 CD GLN A 40 4.383 6.992 16.449 1.00 1.00 C ATOM 423 OE1 GLN A 40 3.532 6.198 16.048 1.00 1.00 O ATOM 424 NE2 GLN A 40 5.294 6.666 17.359 1.00 1.00 N ATOM 0 H GLN A 40 4.310 7.452 11.815 1.00 1.00 H new ATOM 0 HA GLN A 40 2.682 7.559 14.281 1.00 1.00 H new ATOM 0 HB2 GLN A 40 5.468 7.813 14.139 1.00 1.00 H new ATOM 0 HB3 GLN A 40 4.913 9.475 14.123 1.00 1.00 H new ATOM 0 HG2 GLN A 40 5.250 8.947 16.404 1.00 1.00 H new ATOM 0 HG3 GLN A 40 3.513 8.927 16.175 1.00 1.00 H new ATOM 0 HE21 GLN A 40 5.981 7.356 17.663 1.00 1.00 H new ATOM 0 HE22 GLN A 40 5.307 5.726 17.754 1.00 1.00 H new ATOM 433 N LYS A 41 2.188 9.140 11.802 1.00 1.00 N ATOM 434 CA LYS A 41 1.509 10.253 11.143 1.00 1.00 C ATOM 435 C LYS A 41 0.250 9.778 10.425 1.00 1.00 C ATOM 436 O LYS A 41 -0.082 8.593 10.453 1.00 1.00 O ATOM 437 CB LYS A 41 2.444 10.958 10.155 1.00 1.00 C ATOM 438 CG LYS A 41 3.134 10.020 9.180 1.00 1.00 C ATOM 439 CD LYS A 41 4.248 9.236 9.853 1.00 1.00 C ATOM 440 CE LYS A 41 5.414 9.002 8.907 1.00 1.00 C ATOM 441 NZ LYS A 41 6.597 8.436 9.613 1.00 1.00 N ATOM 0 H LYS A 41 2.213 8.277 11.258 1.00 1.00 H new ATOM 0 HA LYS A 41 1.219 10.966 11.915 1.00 1.00 H new ATOM 0 HB2 LYS A 41 1.871 11.694 9.591 1.00 1.00 H new ATOM 0 HB3 LYS A 41 3.202 11.505 10.715 1.00 1.00 H new ATOM 0 HG2 LYS A 41 2.403 9.328 8.760 1.00 1.00 H new ATOM 0 HG3 LYS A 41 3.543 10.594 8.349 1.00 1.00 H new ATOM 0 HD2 LYS A 41 4.595 9.777 10.733 1.00 1.00 H new ATOM 0 HD3 LYS A 41 3.862 8.278 10.200 1.00 1.00 H new ATOM 0 HE2 LYS A 41 5.106 8.322 8.112 1.00 1.00 H new ATOM 0 HE3 LYS A 41 5.691 9.943 8.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 7.371 8.291 8.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 6.907 9.096 10.355 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 6.341 7.525 10.045 1.00 1.00 H new ATOM 455 N GLU A 42 -0.453 10.710 9.790 1.00 1.00 N ATOM 456 CA GLU A 42 -1.681 10.385 9.072 1.00 1.00 C ATOM 457 C GLU A 42 -1.427 10.247 7.574 1.00 1.00 C ATOM 458 O GLU A 42 -2.137 9.517 6.882 1.00 1.00 O ATOM 459 CB GLU A 42 -2.740 11.460 9.323 1.00 1.00 C ATOM 460 CG GLU A 42 -3.458 11.307 10.654 1.00 1.00 C ATOM 461 CD GLU A 42 -4.945 11.582 10.548 1.00 1.00 C ATOM 462 OE1 GLU A 42 -5.681 10.695 10.066 1.00 1.00 O ATOM 463 OE2 GLU A 42 -5.375 12.685 10.948 1.00 1.00 O ATOM 0 H GLU A 42 -0.194 11.696 9.758 1.00 1.00 H new ATOM 0 HA GLU A 42 -2.043 9.427 9.446 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.266 12.441 9.286 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.474 11.430 8.518 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -3.305 10.296 11.031 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -3.017 11.989 11.381 1.00 1.00 H new ATOM 470 N THR A 43 -0.416 10.952 7.076 1.00 1.00 N ATOM 471 CA THR A 43 -0.080 10.903 5.657 1.00 1.00 C ATOM 472 C THR A 43 1.245 10.179 5.437 1.00 1.00 C ATOM 473 O THR A 43 2.151 10.254 6.267 1.00 1.00 O ATOM 474 CB THR A 43 -0.010 12.317 5.075 1.00 1.00 C ATOM 475 OG1 THR A 43 -0.616 13.252 5.951 1.00 1.00 O ATOM 476 CG2 THR A 43 -0.688 12.446 3.728 1.00 1.00 C ATOM 0 H THR A 43 0.183 11.562 7.632 1.00 1.00 H new ATOM 0 HA THR A 43 -0.865 10.349 5.143 1.00 1.00 H new ATOM 0 HB THR A 43 1.053 12.523 4.950 1.00 1.00 H new ATOM 0 HG1 THR A 43 -0.559 14.149 5.561 1.00 1.00 H new ATOM 0 HG21 THR A 43 -0.601 13.473 3.374 1.00 1.00 H new ATOM 0 HG22 THR A 43 -0.211 11.774 3.015 1.00 1.00 H new ATOM 0 HG23 THR A 43 -1.742 12.184 3.824 1.00 1.00 H new ATOM 484 N PHE A 44 1.350 9.474 4.314 1.00 1.00 N ATOM 485 CA PHE A 44 2.563 8.732 3.987 1.00 1.00 C ATOM 486 C PHE A 44 2.773 8.652 2.482 1.00 1.00 C ATOM 487 O PHE A 44 1.819 8.500 1.722 1.00 1.00 O ATOM 488 CB PHE A 44 2.487 7.308 4.542 1.00 1.00 C ATOM 489 CG PHE A 44 2.148 7.232 6.000 1.00 1.00 C ATOM 490 CD1 PHE A 44 0.839 7.382 6.429 1.00 1.00 C ATOM 491 CD2 PHE A 44 3.137 6.999 6.940 1.00 1.00 C ATOM 492 CE1 PHE A 44 0.523 7.302 7.771 1.00 1.00 C ATOM 493 CE2 PHE A 44 2.826 6.919 8.284 1.00 1.00 C ATOM 494 CZ PHE A 44 1.517 7.071 8.699 1.00 1.00 C ATOM 0 H PHE A 44 0.610 9.401 3.616 1.00 1.00 H new ATOM 0 HA PHE A 44 3.399 9.266 4.439 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.740 6.750 3.978 1.00 1.00 H new ATOM 0 HB3 PHE A 44 3.445 6.815 4.377 1.00 1.00 H new ATOM 0 HD1 PHE A 44 0.057 7.563 5.706 1.00 1.00 H new ATOM 0 HD2 PHE A 44 4.161 6.879 6.620 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -0.501 7.420 8.093 1.00 1.00 H new ATOM 0 HE2 PHE A 44 3.605 6.738 9.009 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.272 7.009 9.749 1.00 1.00 H new ATOM 504 N THR A 45 4.030 8.717 2.057 1.00 1.00 N ATOM 505 CA THR A 45 4.354 8.611 0.644 1.00 1.00 C ATOM 506 C THR A 45 4.294 7.148 0.225 1.00 1.00 C ATOM 507 O THR A 45 4.545 6.257 1.037 1.00 1.00 O ATOM 508 CB THR A 45 5.742 9.189 0.361 1.00 1.00 C ATOM 509 OG1 THR A 45 6.662 8.802 1.366 1.00 1.00 O ATOM 510 CG2 THR A 45 5.756 10.700 0.284 1.00 1.00 C ATOM 0 H THR A 45 4.836 8.842 2.669 1.00 1.00 H new ATOM 0 HA THR A 45 3.628 9.185 0.068 1.00 1.00 H new ATOM 0 HB THR A 45 6.028 8.788 -0.611 1.00 1.00 H new ATOM 0 HG1 THR A 45 7.544 9.180 1.166 1.00 1.00 H new ATOM 0 HG21 THR A 45 6.770 11.045 0.081 1.00 1.00 H new ATOM 0 HG22 THR A 45 5.094 11.030 -0.516 1.00 1.00 H new ATOM 0 HG23 THR A 45 5.414 11.116 1.232 1.00 1.00 H new ATOM 518 N MET A 46 3.941 6.900 -1.031 1.00 1.00 N ATOM 519 CA MET A 46 3.827 5.534 -1.539 1.00 1.00 C ATOM 520 C MET A 46 4.978 4.652 -1.058 1.00 1.00 C ATOM 521 O MET A 46 4.781 3.476 -0.760 1.00 1.00 O ATOM 522 CB MET A 46 3.761 5.536 -3.065 1.00 1.00 C ATOM 523 CG MET A 46 2.366 5.257 -3.598 1.00 1.00 C ATOM 524 SD MET A 46 2.372 4.163 -5.031 1.00 1.00 S ATOM 525 CE MET A 46 2.065 2.583 -4.245 1.00 1.00 C ATOM 0 H MET A 46 3.729 7.624 -1.717 1.00 1.00 H new ATOM 0 HA MET A 46 2.902 5.113 -1.144 1.00 1.00 H new ATOM 0 HB2 MET A 46 4.100 6.503 -3.437 1.00 1.00 H new ATOM 0 HB3 MET A 46 4.450 4.786 -3.454 1.00 1.00 H new ATOM 0 HG2 MET A 46 1.763 4.810 -2.808 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.890 6.200 -3.868 1.00 1.00 H new ATOM 0 HE1 MET A 46 1.625 1.896 -4.968 1.00 1.00 H new ATOM 0 HE2 MET A 46 3.005 2.170 -3.878 1.00 1.00 H new ATOM 0 HE3 MET A 46 1.378 2.720 -3.410 1.00 1.00 H new ATOM 535 N LYS A 47 6.173 5.225 -0.972 1.00 1.00 N ATOM 536 CA LYS A 47 7.337 4.476 -0.515 1.00 1.00 C ATOM 537 C LYS A 47 7.137 4.004 0.921 1.00 1.00 C ATOM 538 O LYS A 47 7.327 2.828 1.230 1.00 1.00 O ATOM 539 CB LYS A 47 8.598 5.335 -0.616 1.00 1.00 C ATOM 540 CG LYS A 47 9.847 4.546 -0.967 1.00 1.00 C ATOM 541 CD LYS A 47 9.722 3.885 -2.329 1.00 1.00 C ATOM 542 CE LYS A 47 9.216 2.458 -2.209 1.00 1.00 C ATOM 543 NZ LYS A 47 10.047 1.504 -2.995 1.00 1.00 N ATOM 0 H LYS A 47 6.361 6.199 -1.211 1.00 1.00 H new ATOM 0 HA LYS A 47 7.457 3.603 -1.156 1.00 1.00 H new ATOM 0 HB2 LYS A 47 8.442 6.106 -1.370 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.756 5.846 0.334 1.00 1.00 H new ATOM 0 HG2 LYS A 47 10.712 5.210 -0.961 1.00 1.00 H new ATOM 0 HG3 LYS A 47 10.024 3.785 -0.207 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.041 4.463 -2.954 1.00 1.00 H new ATOM 0 HD3 LYS A 47 10.692 3.888 -2.827 1.00 1.00 H new ATOM 0 HE2 LYS A 47 9.216 2.160 -1.160 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.183 2.409 -2.554 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 9.668 0.542 -2.886 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 10.027 1.772 -4.000 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 11.027 1.531 -2.649 1.00 1.00 H new ATOM 557 N GLU A 48 6.739 4.925 1.795 1.00 1.00 N ATOM 558 CA GLU A 48 6.498 4.592 3.194 1.00 1.00 C ATOM 559 C GLU A 48 5.309 3.649 3.309 1.00 1.00 C ATOM 560 O GLU A 48 5.352 2.661 4.042 1.00 1.00 O ATOM 561 CB GLU A 48 6.243 5.856 4.016 1.00 1.00 C ATOM 562 CG GLU A 48 7.328 6.911 3.869 1.00 1.00 C ATOM 563 CD GLU A 48 8.714 6.366 4.153 1.00 1.00 C ATOM 564 OE1 GLU A 48 9.256 5.645 3.290 1.00 1.00 O ATOM 565 OE2 GLU A 48 9.256 6.659 5.239 1.00 1.00 O ATOM 0 H GLU A 48 6.577 5.904 1.559 1.00 1.00 H new ATOM 0 HA GLU A 48 7.386 4.098 3.587 1.00 1.00 H new ATOM 0 HB2 GLU A 48 5.287 6.286 3.717 1.00 1.00 H new ATOM 0 HB3 GLU A 48 6.154 5.583 5.068 1.00 1.00 H new ATOM 0 HG2 GLU A 48 7.301 7.316 2.857 1.00 1.00 H new ATOM 0 HG3 GLU A 48 7.120 7.737 4.549 1.00 1.00 H new ATOM 572 N VAL A 49 4.250 3.955 2.564 1.00 1.00 N ATOM 573 CA VAL A 49 3.047 3.130 2.566 1.00 1.00 C ATOM 574 C VAL A 49 3.389 1.691 2.199 1.00 1.00 C ATOM 575 O VAL A 49 3.029 0.751 2.908 1.00 1.00 O ATOM 576 CB VAL A 49 1.995 3.659 1.571 1.00 1.00 C ATOM 577 CG1 VAL A 49 0.653 2.986 1.807 1.00 1.00 C ATOM 578 CG2 VAL A 49 1.868 5.175 1.667 1.00 1.00 C ATOM 0 H VAL A 49 4.201 4.769 1.951 1.00 1.00 H new ATOM 0 HA VAL A 49 2.631 3.170 3.573 1.00 1.00 H new ATOM 0 HB VAL A 49 2.327 3.415 0.562 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -0.077 3.372 1.096 1.00 1.00 H new ATOM 0 HG12 VAL A 49 0.757 1.909 1.672 1.00 1.00 H new ATOM 0 HG13 VAL A 49 0.315 3.194 2.822 1.00 1.00 H new ATOM 0 HG21 VAL A 49 1.120 5.523 0.955 1.00 1.00 H new ATOM 0 HG22 VAL A 49 1.565 5.451 2.677 1.00 1.00 H new ATOM 0 HG23 VAL A 49 2.829 5.636 1.438 1.00 1.00 H new ATOM 588 N LEU A 50 4.092 1.536 1.084 1.00 1.00 N ATOM 589 CA LEU A 50 4.501 0.223 0.604 1.00 1.00 C ATOM 590 C LEU A 50 5.536 -0.405 1.537 1.00 1.00 C ATOM 591 O LEU A 50 5.724 -1.621 1.541 1.00 1.00 O ATOM 592 CB LEU A 50 5.073 0.343 -0.812 1.00 1.00 C ATOM 593 CG LEU A 50 4.413 -0.556 -1.856 1.00 1.00 C ATOM 594 CD1 LEU A 50 4.896 -0.193 -3.251 1.00 1.00 C ATOM 595 CD2 LEU A 50 4.695 -2.021 -1.559 1.00 1.00 C ATOM 0 H LEU A 50 4.392 2.310 0.492 1.00 1.00 H new ATOM 0 HA LEU A 50 3.625 -0.425 0.586 1.00 1.00 H new ATOM 0 HB2 LEU A 50 4.981 1.379 -1.137 1.00 1.00 H new ATOM 0 HB3 LEU A 50 6.138 0.113 -0.778 1.00 1.00 H new ATOM 0 HG LEU A 50 3.335 -0.399 -1.811 1.00 1.00 H new ATOM 0 HD11 LEU A 50 4.416 -0.843 -3.983 1.00 1.00 H new ATOM 0 HD12 LEU A 50 4.642 0.845 -3.466 1.00 1.00 H new ATOM 0 HD13 LEU A 50 5.977 -0.320 -3.306 1.00 1.00 H new ATOM 0 HD21 LEU A 50 4.216 -2.644 -2.314 1.00 1.00 H new ATOM 0 HD22 LEU A 50 5.771 -2.195 -1.574 1.00 1.00 H new ATOM 0 HD23 LEU A 50 4.300 -2.275 -0.575 1.00 1.00 H new ATOM 607 N TYR A 51 6.209 0.433 2.322 1.00 1.00 N ATOM 608 CA TYR A 51 7.228 -0.043 3.252 1.00 1.00 C ATOM 609 C TYR A 51 6.597 -0.683 4.488 1.00 1.00 C ATOM 610 O TYR A 51 6.845 -1.854 4.786 1.00 1.00 O ATOM 611 CB TYR A 51 8.151 1.109 3.664 1.00 1.00 C ATOM 612 CG TYR A 51 9.206 0.712 4.673 1.00 1.00 C ATOM 613 CD1 TYR A 51 10.372 0.074 4.272 1.00 1.00 C ATOM 614 CD2 TYR A 51 9.033 0.975 6.027 1.00 1.00 C ATOM 615 CE1 TYR A 51 11.338 -0.291 5.191 1.00 1.00 C ATOM 616 CE2 TYR A 51 9.995 0.614 6.951 1.00 1.00 C ATOM 617 CZ TYR A 51 11.145 -0.019 6.529 1.00 1.00 C ATOM 618 OH TYR A 51 12.104 -0.381 7.446 1.00 1.00 O ATOM 0 H TYR A 51 6.067 1.443 2.332 1.00 1.00 H new ATOM 0 HA TYR A 51 7.817 -0.806 2.742 1.00 1.00 H new ATOM 0 HB2 TYR A 51 8.642 1.505 2.775 1.00 1.00 H new ATOM 0 HB3 TYR A 51 7.547 1.915 4.081 1.00 1.00 H new ATOM 0 HD1 TYR A 51 10.527 -0.141 3.225 1.00 1.00 H new ATOM 0 HD2 TYR A 51 8.133 1.469 6.362 1.00 1.00 H new ATOM 0 HE1 TYR A 51 12.240 -0.787 4.863 1.00 1.00 H new ATOM 0 HE2 TYR A 51 9.847 0.827 7.999 1.00 1.00 H new ATOM 0 HH TYR A 51 11.814 -0.117 8.344 1.00 1.00 H new ATOM 628 N HIS A 52 5.779 0.082 5.210 1.00 1.00 N ATOM 629 CA HIS A 52 5.128 -0.437 6.407 1.00 1.00 C ATOM 630 C HIS A 52 4.335 -1.695 6.076 1.00 1.00 C ATOM 631 O HIS A 52 4.366 -2.669 6.823 1.00 1.00 O ATOM 632 CB HIS A 52 4.210 0.611 7.042 1.00 1.00 C ATOM 633 CG HIS A 52 4.768 2.001 7.019 1.00 1.00 C ATOM 634 ND1 HIS A 52 5.973 2.337 7.599 1.00 1.00 N ATOM 635 CD2 HIS A 52 4.277 3.146 6.488 1.00 1.00 C ATOM 636 CE1 HIS A 52 6.197 3.628 7.429 1.00 1.00 C ATOM 637 NE2 HIS A 52 5.184 4.142 6.757 1.00 1.00 N ATOM 0 H HIS A 52 5.555 1.052 4.989 1.00 1.00 H new ATOM 0 HA HIS A 52 5.907 -0.685 7.128 1.00 1.00 H new ATOM 0 HB2 HIS A 52 3.253 0.606 6.520 1.00 1.00 H new ATOM 0 HB3 HIS A 52 4.011 0.327 8.075 1.00 1.00 H new ATOM 0 HD1 HIS A 52 6.595 1.690 8.084 1.00 1.00 H new ATOM 0 HD2 HIS A 52 3.345 3.256 5.953 1.00 1.00 H new ATOM 0 HE1 HIS A 52 7.062 4.171 7.780 1.00 1.00 H new ATOM 646 N LEU A 53 3.632 -1.672 4.943 1.00 1.00 N ATOM 647 CA LEU A 53 2.847 -2.808 4.506 1.00 1.00 C ATOM 648 C LEU A 53 3.653 -4.098 4.604 1.00 1.00 C ATOM 649 O LEU A 53 3.203 -5.077 5.199 1.00 1.00 O ATOM 650 CB LEU A 53 2.373 -2.577 3.076 1.00 1.00 C ATOM 651 CG LEU A 53 0.869 -2.691 2.889 1.00 1.00 C ATOM 652 CD1 LEU A 53 0.132 -1.808 3.885 1.00 1.00 C ATOM 653 CD2 LEU A 53 0.474 -2.346 1.461 1.00 1.00 C ATOM 0 H LEU A 53 3.596 -0.870 4.314 1.00 1.00 H new ATOM 0 HA LEU A 53 1.980 -2.910 5.159 1.00 1.00 H new ATOM 0 HB2 LEU A 53 2.693 -1.586 2.755 1.00 1.00 H new ATOM 0 HB3 LEU A 53 2.864 -3.298 2.422 1.00 1.00 H new ATOM 0 HG LEU A 53 0.581 -3.725 3.078 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -0.943 -1.906 3.732 1.00 1.00 H new ATOM 0 HD12 LEU A 53 0.384 -2.116 4.900 1.00 1.00 H new ATOM 0 HD13 LEU A 53 0.426 -0.769 3.737 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -0.607 -2.435 1.351 1.00 1.00 H new ATOM 0 HD22 LEU A 53 0.779 -1.324 1.236 1.00 1.00 H new ATOM 0 HD23 LEU A 53 0.966 -3.032 0.772 1.00 1.00 H new ATOM 665 N GLY A 54 4.855 -4.087 4.035 1.00 1.00 N ATOM 666 CA GLY A 54 5.705 -5.261 4.097 1.00 1.00 C ATOM 667 C GLY A 54 5.910 -5.714 5.526 1.00 1.00 C ATOM 668 O GLY A 54 5.964 -6.910 5.810 1.00 1.00 O ATOM 0 H GLY A 54 5.253 -3.292 3.536 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.257 -6.068 3.518 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.670 -5.039 3.641 1.00 1.00 H new ATOM 672 N GLN A 55 6.004 -4.743 6.432 1.00 1.00 N ATOM 673 CA GLN A 55 6.182 -5.031 7.849 1.00 1.00 C ATOM 674 C GLN A 55 4.840 -5.371 8.496 1.00 1.00 C ATOM 675 O GLN A 55 4.780 -6.116 9.474 1.00 1.00 O ATOM 676 CB GLN A 55 6.816 -3.834 8.559 1.00 1.00 C ATOM 677 CG GLN A 55 8.284 -3.633 8.219 1.00 1.00 C ATOM 678 CD GLN A 55 8.960 -2.625 9.128 1.00 1.00 C ATOM 679 OE1 GLN A 55 9.241 -1.497 8.723 1.00 1.00 O ATOM 680 NE2 GLN A 55 9.226 -3.028 10.365 1.00 1.00 N ATOM 0 H GLN A 55 5.959 -3.749 6.207 1.00 1.00 H new ATOM 0 HA GLN A 55 6.846 -5.890 7.945 1.00 1.00 H new ATOM 0 HB2 GLN A 55 6.264 -2.932 8.296 1.00 1.00 H new ATOM 0 HB3 GLN A 55 6.716 -3.966 9.636 1.00 1.00 H new ATOM 0 HG2 GLN A 55 8.804 -4.588 8.291 1.00 1.00 H new ATOM 0 HG3 GLN A 55 8.371 -3.300 7.185 1.00 1.00 H new ATOM 0 HE21 GLN A 55 8.976 -3.972 10.659 1.00 1.00 H new ATOM 0 HE22 GLN A 55 9.681 -2.393 11.021 1.00 1.00 H new ATOM 689 N TYR A 56 3.767 -4.817 7.937 1.00 1.00 N ATOM 690 CA TYR A 56 2.420 -5.055 8.445 1.00 1.00 C ATOM 691 C TYR A 56 2.013 -6.511 8.226 1.00 1.00 C ATOM 692 O TYR A 56 1.482 -7.161 9.126 1.00 1.00 O ATOM 693 CB TYR A 56 1.423 -4.117 7.750 1.00 1.00 C ATOM 694 CG TYR A 56 -0.028 -4.445 8.030 1.00 1.00 C ATOM 695 CD1 TYR A 56 -0.643 -4.031 9.205 1.00 1.00 C ATOM 696 CD2 TYR A 56 -0.775 -5.186 7.125 1.00 1.00 C ATOM 697 CE1 TYR A 56 -1.962 -4.347 9.470 1.00 1.00 C ATOM 698 CE2 TYR A 56 -2.096 -5.502 7.380 1.00 1.00 C ATOM 699 CZ TYR A 56 -2.684 -5.082 8.555 1.00 1.00 C ATOM 700 OH TYR A 56 -3.997 -5.399 8.815 1.00 1.00 O ATOM 0 H TYR A 56 3.806 -4.197 7.128 1.00 1.00 H new ATOM 0 HA TYR A 56 2.412 -4.852 9.516 1.00 1.00 H new ATOM 0 HB2 TYR A 56 1.621 -3.093 8.067 1.00 1.00 H new ATOM 0 HB3 TYR A 56 1.593 -4.156 6.674 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -0.081 -3.453 9.923 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -0.316 -5.521 6.206 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -2.424 -4.020 10.389 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -2.665 -6.075 6.663 1.00 1.00 H new ATOM 0 HH TYR A 56 -4.362 -5.919 8.069 1.00 1.00 H new ATOM 710 N ILE A 57 2.265 -7.012 7.021 1.00 1.00 N ATOM 711 CA ILE A 57 1.925 -8.387 6.674 1.00 1.00 C ATOM 712 C ILE A 57 2.738 -9.385 7.494 1.00 1.00 C ATOM 713 O ILE A 57 2.178 -10.225 8.198 1.00 1.00 O ATOM 714 CB ILE A 57 2.158 -8.659 5.173 1.00 1.00 C ATOM 715 CG1 ILE A 57 1.424 -7.620 4.324 1.00 1.00 C ATOM 716 CG2 ILE A 57 1.705 -10.065 4.805 1.00 1.00 C ATOM 717 CD1 ILE A 57 1.763 -7.696 2.852 1.00 1.00 C ATOM 0 H ILE A 57 2.705 -6.485 6.267 1.00 1.00 H new ATOM 0 HA ILE A 57 0.867 -8.517 6.902 1.00 1.00 H new ATOM 0 HB ILE A 57 3.226 -8.581 4.971 1.00 1.00 H new ATOM 0 HG12 ILE A 57 0.349 -7.754 4.449 1.00 1.00 H new ATOM 0 HG13 ILE A 57 1.666 -6.624 4.694 1.00 1.00 H new ATOM 0 HG21 ILE A 57 1.878 -10.237 3.743 1.00 1.00 H new ATOM 0 HG22 ILE A 57 2.270 -10.793 5.387 1.00 1.00 H new ATOM 0 HG23 ILE A 57 0.642 -10.173 5.022 1.00 1.00 H new ATOM 0 HD11 ILE A 57 1.207 -6.931 2.311 1.00 1.00 H new ATOM 0 HD12 ILE A 57 2.832 -7.532 2.716 1.00 1.00 H new ATOM 0 HD13 ILE A 57 1.495 -8.680 2.467 1.00 1.00 H new ATOM 729 N MET A 58 4.061 -9.293 7.393 1.00 1.00 N ATOM 730 CA MET A 58 4.951 -10.194 8.121 1.00 1.00 C ATOM 731 C MET A 58 4.606 -10.234 9.607 1.00 1.00 C ATOM 732 O MET A 58 4.601 -11.300 10.223 1.00 1.00 O ATOM 733 CB MET A 58 6.409 -9.767 7.935 1.00 1.00 C ATOM 734 CG MET A 58 6.730 -8.416 8.551 1.00 1.00 C ATOM 735 SD MET A 58 8.461 -7.952 8.342 1.00 1.00 S ATOM 736 CE MET A 58 8.492 -7.531 6.601 1.00 1.00 C ATOM 0 H MET A 58 4.541 -8.604 6.814 1.00 1.00 H new ATOM 0 HA MET A 58 4.816 -11.196 7.713 1.00 1.00 H new ATOM 0 HB2 MET A 58 7.059 -10.522 8.377 1.00 1.00 H new ATOM 0 HB3 MET A 58 6.636 -9.734 6.869 1.00 1.00 H new ATOM 0 HG2 MET A 58 6.096 -7.654 8.097 1.00 1.00 H new ATOM 0 HG3 MET A 58 6.490 -8.439 9.614 1.00 1.00 H new ATOM 0 HE1 MET A 58 9.476 -7.756 6.190 1.00 1.00 H new ATOM 0 HE2 MET A 58 7.736 -8.112 6.073 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.283 -6.468 6.480 1.00 1.00 H new ATOM 746 N ALA A 59 4.317 -9.069 10.178 1.00 1.00 N ATOM 747 CA ALA A 59 3.971 -8.982 11.592 1.00 1.00 C ATOM 748 C ALA A 59 2.695 -9.759 11.889 1.00 1.00 C ATOM 749 O ALA A 59 2.693 -10.682 12.704 1.00 1.00 O ATOM 750 CB ALA A 59 3.817 -7.527 12.009 1.00 1.00 C ATOM 0 H ALA A 59 4.315 -8.176 9.686 1.00 1.00 H new ATOM 0 HA ALA A 59 4.781 -9.428 12.170 1.00 1.00 H new ATOM 0 HB1 ALA A 59 3.559 -7.477 13.067 1.00 1.00 H new ATOM 0 HB2 ALA A 59 4.755 -6.999 11.839 1.00 1.00 H new ATOM 0 HB3 ALA A 59 3.027 -7.061 11.420 1.00 1.00 H new ATOM 756 N LYS A 60 1.610 -9.383 11.220 1.00 1.00 N ATOM 757 CA LYS A 60 0.328 -10.045 11.407 1.00 1.00 C ATOM 758 C LYS A 60 0.389 -11.499 10.940 1.00 1.00 C ATOM 759 O LYS A 60 -0.432 -12.324 11.342 1.00 1.00 O ATOM 760 CB LYS A 60 -0.760 -9.291 10.642 1.00 1.00 C ATOM 761 CG LYS A 60 -1.478 -8.230 11.464 1.00 1.00 C ATOM 762 CD LYS A 60 -0.512 -7.315 12.205 1.00 1.00 C ATOM 763 CE LYS A 60 -0.194 -6.068 11.395 1.00 1.00 C ATOM 764 NZ LYS A 60 1.118 -5.477 11.776 1.00 1.00 N ATOM 0 H LYS A 60 1.595 -8.621 10.542 1.00 1.00 H new ATOM 0 HA LYS A 60 0.090 -10.041 12.471 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -0.312 -8.817 9.769 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -1.494 -10.008 10.274 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -2.109 -7.631 10.807 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -2.137 -8.716 12.183 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -0.944 -7.027 13.163 1.00 1.00 H new ATOM 0 HD3 LYS A 60 0.410 -7.855 12.420 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -0.185 -6.317 10.334 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -0.981 -5.329 11.543 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 1.036 -4.441 11.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 1.399 -5.831 12.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 1.837 -5.746 11.074 1.00 1.00 H new ATOM 778 N GLN A 61 1.368 -11.808 10.091 1.00 1.00 N ATOM 779 CA GLN A 61 1.540 -13.162 9.571 1.00 1.00 C ATOM 780 C GLN A 61 0.415 -13.529 8.606 1.00 1.00 C ATOM 781 O GLN A 61 -0.347 -14.465 8.849 1.00 1.00 O ATOM 782 CB GLN A 61 1.598 -14.174 10.718 1.00 1.00 C ATOM 783 CG GLN A 61 2.127 -15.537 10.300 1.00 1.00 C ATOM 784 CD GLN A 61 3.463 -15.867 10.937 1.00 1.00 C ATOM 785 OE1 GLN A 61 3.700 -16.999 11.357 1.00 1.00 O ATOM 786 NE2 GLN A 61 4.345 -14.876 11.012 1.00 1.00 N ATOM 0 H GLN A 61 2.055 -11.137 9.748 1.00 1.00 H new ATOM 0 HA GLN A 61 2.483 -13.191 9.025 1.00 1.00 H new ATOM 0 HB2 GLN A 61 2.230 -13.776 11.511 1.00 1.00 H new ATOM 0 HB3 GLN A 61 0.599 -14.294 11.137 1.00 1.00 H new ATOM 0 HG2 GLN A 61 1.401 -16.303 10.572 1.00 1.00 H new ATOM 0 HG3 GLN A 61 2.230 -15.565 9.215 1.00 1.00 H new ATOM 0 HE21 GLN A 61 4.106 -13.952 10.651 1.00 1.00 H new ATOM 0 HE22 GLN A 61 5.261 -15.039 11.431 1.00 1.00 H new ATOM 795 N LEU A 62 0.321 -12.787 7.508 1.00 1.00 N ATOM 796 CA LEU A 62 -0.706 -13.034 6.502 1.00 1.00 C ATOM 797 C LEU A 62 -0.137 -13.786 5.299 1.00 1.00 C ATOM 798 O LEU A 62 -0.798 -13.911 4.269 1.00 1.00 O ATOM 799 CB LEU A 62 -1.323 -11.711 6.042 1.00 1.00 C ATOM 800 CG LEU A 62 -1.672 -10.735 7.166 1.00 1.00 C ATOM 801 CD1 LEU A 62 -2.396 -9.518 6.609 1.00 1.00 C ATOM 802 CD2 LEU A 62 -2.518 -11.425 8.228 1.00 1.00 C ATOM 0 H LEU A 62 0.944 -12.009 7.292 1.00 1.00 H new ATOM 0 HA LEU A 62 -1.477 -13.655 6.958 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -0.629 -11.222 5.359 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -2.228 -11.927 5.475 1.00 1.00 H new ATOM 0 HG LEU A 62 -0.746 -10.399 7.632 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -2.637 -8.834 7.423 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -1.755 -9.012 5.887 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -3.316 -9.835 6.117 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.757 -10.716 9.020 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -3.441 -11.790 7.777 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -1.962 -12.264 8.648 1.00 1.00 H new ATOM 814 N TYR A 63 1.091 -14.283 5.431 1.00 1.00 N ATOM 815 CA TYR A 63 1.737 -15.016 4.348 1.00 1.00 C ATOM 816 C TYR A 63 1.608 -16.524 4.552 1.00 1.00 C ATOM 817 O TYR A 63 1.474 -16.997 5.681 1.00 1.00 O ATOM 818 CB TYR A 63 3.212 -14.624 4.252 1.00 1.00 C ATOM 819 CG TYR A 63 3.992 -14.899 5.518 1.00 1.00 C ATOM 820 CD1 TYR A 63 4.349 -16.195 5.871 1.00 1.00 C ATOM 821 CD2 TYR A 63 4.367 -13.862 6.364 1.00 1.00 C ATOM 822 CE1 TYR A 63 5.057 -16.449 7.031 1.00 1.00 C ATOM 823 CE2 TYR A 63 5.075 -14.108 7.525 1.00 1.00 C ATOM 824 CZ TYR A 63 5.417 -15.403 7.854 1.00 1.00 C ATOM 825 OH TYR A 63 6.121 -15.652 9.009 1.00 1.00 O ATOM 0 H TYR A 63 1.656 -14.191 6.275 1.00 1.00 H new ATOM 0 HA TYR A 63 1.236 -14.754 3.416 1.00 1.00 H new ATOM 0 HB2 TYR A 63 3.671 -15.167 3.426 1.00 1.00 H new ATOM 0 HB3 TYR A 63 3.283 -13.563 4.014 1.00 1.00 H new ATOM 0 HD1 TYR A 63 4.069 -17.017 5.229 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.101 -12.847 6.110 1.00 1.00 H new ATOM 0 HE1 TYR A 63 5.327 -17.462 7.291 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.359 -13.291 8.171 1.00 1.00 H new ATOM 0 HH TYR A 63 6.501 -14.814 9.348 1.00 1.00 H new ATOM 835 N ASP A 64 1.651 -17.275 3.453 1.00 1.00 N ATOM 836 CA ASP A 64 1.540 -18.729 3.515 1.00 1.00 C ATOM 837 C ASP A 64 2.840 -19.353 4.016 1.00 1.00 C ATOM 838 O ASP A 64 3.930 -18.856 3.732 1.00 1.00 O ATOM 839 CB ASP A 64 1.172 -19.297 2.140 1.00 1.00 C ATOM 840 CG ASP A 64 1.059 -20.809 2.145 1.00 1.00 C ATOM 841 OD1 ASP A 64 2.063 -21.478 2.465 1.00 1.00 O ATOM 842 OD2 ASP A 64 -0.034 -21.323 1.829 1.00 1.00 O ATOM 0 H ASP A 64 1.762 -16.900 2.511 1.00 1.00 H new ATOM 0 HA ASP A 64 0.747 -18.979 4.220 1.00 1.00 H new ATOM 0 HB2 ASP A 64 0.225 -18.867 1.815 1.00 1.00 H new ATOM 0 HB3 ASP A 64 1.926 -18.995 1.413 1.00 1.00 H new ATOM 847 N GLU A 65 2.715 -20.438 4.774 1.00 1.00 N ATOM 848 CA GLU A 65 3.875 -21.127 5.330 1.00 1.00 C ATOM 849 C GLU A 65 4.744 -21.741 4.235 1.00 1.00 C ATOM 850 O GLU A 65 5.933 -21.441 4.137 1.00 1.00 O ATOM 851 CB GLU A 65 3.425 -22.215 6.308 1.00 1.00 C ATOM 852 CG GLU A 65 4.229 -22.244 7.598 1.00 1.00 C ATOM 853 CD GLU A 65 5.629 -22.795 7.401 1.00 1.00 C ATOM 854 OE1 GLU A 65 6.273 -22.432 6.394 1.00 1.00 O ATOM 855 OE2 GLU A 65 6.080 -23.588 8.254 1.00 1.00 O ATOM 0 H GLU A 65 1.819 -20.860 5.018 1.00 1.00 H new ATOM 0 HA GLU A 65 4.475 -20.387 5.860 1.00 1.00 H new ATOM 0 HB2 GLU A 65 2.373 -22.063 6.549 1.00 1.00 H new ATOM 0 HB3 GLU A 65 3.503 -23.186 5.819 1.00 1.00 H new ATOM 0 HG2 GLU A 65 4.294 -21.235 8.004 1.00 1.00 H new ATOM 0 HG3 GLU A 65 3.704 -22.851 8.335 1.00 1.00 H new ATOM 862 N LYS A 66 4.151 -22.608 3.418 1.00 1.00 N ATOM 863 CA LYS A 66 4.887 -23.262 2.342 1.00 1.00 C ATOM 864 C LYS A 66 5.531 -22.230 1.415 1.00 1.00 C ATOM 865 O LYS A 66 6.726 -22.302 1.131 1.00 1.00 O ATOM 866 CB LYS A 66 3.968 -24.218 1.574 1.00 1.00 C ATOM 867 CG LYS A 66 3.265 -23.592 0.391 1.00 1.00 C ATOM 868 CD LYS A 66 2.387 -24.600 -0.333 1.00 1.00 C ATOM 869 CE LYS A 66 2.457 -24.424 -1.842 1.00 1.00 C ATOM 870 NZ LYS A 66 2.822 -25.692 -2.533 1.00 1.00 N ATOM 0 H LYS A 66 3.168 -22.872 3.481 1.00 1.00 H new ATOM 0 HA LYS A 66 5.694 -23.851 2.778 1.00 1.00 H new ATOM 0 HB2 LYS A 66 4.557 -25.066 1.224 1.00 1.00 H new ATOM 0 HB3 LYS A 66 3.218 -24.612 2.260 1.00 1.00 H new ATOM 0 HG2 LYS A 66 2.655 -22.754 0.730 1.00 1.00 H new ATOM 0 HG3 LYS A 66 4.004 -23.189 -0.301 1.00 1.00 H new ATOM 0 HD2 LYS A 66 2.699 -25.610 -0.069 1.00 1.00 H new ATOM 0 HD3 LYS A 66 1.355 -24.489 -0.001 1.00 1.00 H new ATOM 0 HE2 LYS A 66 1.493 -24.074 -2.212 1.00 1.00 H new ATOM 0 HE3 LYS A 66 3.190 -23.655 -2.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 2.859 -25.530 -3.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 3.753 -26.014 -2.199 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 2.109 -26.419 -2.323 1.00 1.00 H new ATOM 884 N GLN A 67 4.742 -21.255 0.969 1.00 1.00 N ATOM 885 CA GLN A 67 5.260 -20.197 0.103 1.00 1.00 C ATOM 886 C GLN A 67 5.120 -18.840 0.783 1.00 1.00 C ATOM 887 O GLN A 67 4.024 -18.438 1.171 1.00 1.00 O ATOM 888 CB GLN A 67 4.549 -20.178 -1.257 1.00 1.00 C ATOM 889 CG GLN A 67 3.092 -20.607 -1.213 1.00 1.00 C ATOM 890 CD GLN A 67 2.551 -20.974 -2.582 1.00 1.00 C ATOM 891 OE1 GLN A 67 1.799 -21.937 -2.726 1.00 1.00 O ATOM 892 NE2 GLN A 67 2.931 -20.206 -3.596 1.00 1.00 N ATOM 0 H GLN A 67 3.750 -21.175 1.190 1.00 1.00 H new ATOM 0 HA GLN A 67 6.315 -20.405 -0.074 1.00 1.00 H new ATOM 0 HB2 GLN A 67 4.605 -19.170 -1.668 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.087 -20.833 -1.943 1.00 1.00 H new ATOM 0 HG2 GLN A 67 2.989 -21.462 -0.544 1.00 1.00 H new ATOM 0 HG3 GLN A 67 2.492 -19.800 -0.794 1.00 1.00 H new ATOM 0 HE21 GLN A 67 3.556 -19.417 -3.432 1.00 1.00 H new ATOM 0 HE22 GLN A 67 2.598 -20.405 -4.539 1.00 1.00 H new ATOM 901 N GLN A 68 6.240 -18.141 0.932 1.00 1.00 N ATOM 902 CA GLN A 68 6.243 -16.832 1.575 1.00 1.00 C ATOM 903 C GLN A 68 5.806 -15.732 0.609 1.00 1.00 C ATOM 904 O GLN A 68 5.610 -14.586 1.014 1.00 1.00 O ATOM 905 CB GLN A 68 7.635 -16.518 2.126 1.00 1.00 C ATOM 906 CG GLN A 68 7.891 -17.110 3.502 1.00 1.00 C ATOM 907 CD GLN A 68 8.398 -18.538 3.437 1.00 1.00 C ATOM 908 OE1 GLN A 68 9.485 -18.800 2.922 1.00 1.00 O ATOM 909 NE2 GLN A 68 7.610 -19.471 3.960 1.00 1.00 N ATOM 0 H GLN A 68 7.157 -18.459 0.617 1.00 1.00 H new ATOM 0 HA GLN A 68 5.527 -16.864 2.396 1.00 1.00 H new ATOM 0 HB2 GLN A 68 8.385 -16.896 1.432 1.00 1.00 H new ATOM 0 HB3 GLN A 68 7.762 -15.437 2.175 1.00 1.00 H new ATOM 0 HG2 GLN A 68 8.619 -16.493 4.029 1.00 1.00 H new ATOM 0 HG3 GLN A 68 6.969 -17.082 4.083 1.00 1.00 H new ATOM 0 HE21 GLN A 68 6.717 -19.209 4.377 1.00 1.00 H new ATOM 0 HE22 GLN A 68 7.898 -20.449 3.945 1.00 1.00 H new ATOM 918 N HIS A 69 5.653 -16.080 -0.666 1.00 1.00 N ATOM 919 CA HIS A 69 5.239 -15.108 -1.671 1.00 1.00 C ATOM 920 C HIS A 69 3.717 -15.099 -1.842 1.00 1.00 C ATOM 921 O HIS A 69 3.197 -14.525 -2.799 1.00 1.00 O ATOM 922 CB HIS A 69 5.943 -15.391 -3.009 1.00 1.00 C ATOM 923 CG HIS A 69 5.157 -16.240 -3.964 1.00 1.00 C ATOM 924 ND1 HIS A 69 4.277 -15.715 -4.887 1.00 1.00 N ATOM 925 CD2 HIS A 69 5.131 -17.583 -4.146 1.00 1.00 C ATOM 926 CE1 HIS A 69 3.744 -16.696 -5.594 1.00 1.00 C ATOM 927 NE2 HIS A 69 4.246 -17.838 -5.164 1.00 1.00 N ATOM 0 H HIS A 69 5.809 -17.022 -1.025 1.00 1.00 H new ATOM 0 HA HIS A 69 5.535 -14.117 -1.328 1.00 1.00 H new ATOM 0 HB2 HIS A 69 6.171 -14.441 -3.492 1.00 1.00 H new ATOM 0 HB3 HIS A 69 6.895 -15.882 -2.806 1.00 1.00 H new ATOM 0 HD2 HIS A 69 5.700 -18.316 -3.593 1.00 1.00 H new ATOM 0 HE1 HIS A 69 3.021 -16.582 -6.388 1.00 1.00 H new ATOM 0 HE2 HIS A 69 4.014 -18.762 -5.529 1.00 1.00 H new ATOM 936 N ILE A 70 3.009 -15.731 -0.907 1.00 1.00 N ATOM 937 CA ILE A 70 1.552 -15.783 -0.957 1.00 1.00 C ATOM 938 C ILE A 70 0.937 -15.135 0.272 1.00 1.00 C ATOM 939 O ILE A 70 1.384 -15.360 1.394 1.00 1.00 O ATOM 940 CB ILE A 70 1.028 -17.226 -1.040 1.00 1.00 C ATOM 941 CG1 ILE A 70 1.782 -18.020 -2.101 1.00 1.00 C ATOM 942 CG2 ILE A 70 -0.467 -17.232 -1.330 1.00 1.00 C ATOM 943 CD1 ILE A 70 1.788 -17.376 -3.465 1.00 1.00 C ATOM 0 H ILE A 70 3.421 -16.213 -0.108 1.00 1.00 H new ATOM 0 HA ILE A 70 1.263 -15.240 -1.857 1.00 1.00 H new ATOM 0 HB ILE A 70 1.198 -17.705 -0.076 1.00 1.00 H new ATOM 0 HG12 ILE A 70 2.812 -18.158 -1.772 1.00 1.00 H new ATOM 0 HG13 ILE A 70 1.337 -19.012 -2.181 1.00 1.00 H new ATOM 0 HG21 ILE A 70 -0.823 -18.261 -1.386 1.00 1.00 H new ATOM 0 HG22 ILE A 70 -0.994 -16.708 -0.533 1.00 1.00 H new ATOM 0 HG23 ILE A 70 -0.655 -16.731 -2.280 1.00 1.00 H new ATOM 0 HD11 ILE A 70 2.344 -18.004 -4.161 1.00 1.00 H new ATOM 0 HD12 ILE A 70 0.763 -17.263 -3.818 1.00 1.00 H new ATOM 0 HD13 ILE A 70 2.261 -16.396 -3.403 1.00 1.00 H new ATOM 955 N VAL A 71 -0.102 -14.344 0.052 1.00 1.00 N ATOM 956 CA VAL A 71 -0.798 -13.674 1.143 1.00 1.00 C ATOM 957 C VAL A 71 -2.296 -13.948 1.078 1.00 1.00 C ATOM 958 O VAL A 71 -3.021 -13.299 0.323 1.00 1.00 O ATOM 959 CB VAL A 71 -0.556 -12.154 1.122 1.00 1.00 C ATOM 960 CG1 VAL A 71 -1.156 -11.500 2.358 1.00 1.00 C ATOM 961 CG2 VAL A 71 0.934 -11.855 1.019 1.00 1.00 C ATOM 0 H VAL A 71 -0.483 -14.149 -0.874 1.00 1.00 H new ATOM 0 HA VAL A 71 -0.396 -14.076 2.073 1.00 1.00 H new ATOM 0 HB VAL A 71 -1.050 -11.736 0.245 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -0.975 -10.426 2.325 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -2.230 -11.686 2.383 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -0.694 -11.919 3.252 1.00 1.00 H new ATOM 0 HG21 VAL A 71 1.088 -10.776 1.005 1.00 1.00 H new ATOM 0 HG22 VAL A 71 1.451 -12.285 1.877 1.00 1.00 H new ATOM 0 HG23 VAL A 71 1.330 -12.290 0.101 1.00 1.00 H new ATOM 971 N HIS A 72 -2.758 -14.913 1.868 1.00 1.00 N ATOM 972 CA HIS A 72 -4.174 -15.263 1.887 1.00 1.00 C ATOM 973 C HIS A 72 -4.766 -15.120 3.285 1.00 1.00 C ATOM 974 O HIS A 72 -4.633 -16.009 4.126 1.00 1.00 O ATOM 975 CB HIS A 72 -4.382 -16.691 1.372 1.00 1.00 C ATOM 976 CG HIS A 72 -3.485 -17.710 2.010 1.00 1.00 C ATOM 977 ND1 HIS A 72 -3.312 -18.980 1.498 1.00 1.00 N ATOM 978 CD2 HIS A 72 -2.712 -17.648 3.121 1.00 1.00 C ATOM 979 CE1 HIS A 72 -2.475 -19.653 2.267 1.00 1.00 C ATOM 980 NE2 HIS A 72 -2.096 -18.867 3.257 1.00 1.00 N ATOM 0 H HIS A 72 -2.176 -15.463 2.500 1.00 1.00 H new ATOM 0 HA HIS A 72 -4.693 -14.568 1.227 1.00 1.00 H new ATOM 0 HB2 HIS A 72 -5.419 -16.979 1.542 1.00 1.00 H new ATOM 0 HB3 HIS A 72 -4.220 -16.704 0.294 1.00 1.00 H new ATOM 0 HD2 HIS A 72 -2.601 -16.798 3.777 1.00 1.00 H new ATOM 0 HE1 HIS A 72 -2.155 -20.673 2.112 1.00 1.00 H new ATOM 0 HE2 HIS A 72 -1.450 -19.124 4.003 1.00 1.00 H new ATOM 989 N CYS A 73 -5.433 -13.996 3.519 1.00 1.00 N ATOM 990 CA CYS A 73 -6.063 -13.728 4.805 1.00 1.00 C ATOM 991 C CYS A 73 -7.507 -13.280 4.607 1.00 1.00 C ATOM 992 O CYS A 73 -7.762 -12.135 4.236 1.00 1.00 O ATOM 993 CB CYS A 73 -5.284 -12.657 5.568 1.00 1.00 C ATOM 994 SG CYS A 73 -5.265 -12.904 7.359 1.00 1.00 S ATOM 0 H CYS A 73 -5.551 -13.253 2.831 1.00 1.00 H new ATOM 0 HA CYS A 73 -6.057 -14.649 5.388 1.00 1.00 H new ATOM 0 HB2 CYS A 73 -4.257 -12.638 5.202 1.00 1.00 H new ATOM 0 HB3 CYS A 73 -5.718 -11.681 5.350 1.00 1.00 H new ATOM 0 HG CYS A 73 -4.228 -13.616 7.688 1.00 1.00 H new ATOM 1000 N SER A 74 -8.449 -14.187 4.844 1.00 1.00 N ATOM 1001 CA SER A 74 -9.861 -13.866 4.674 1.00 1.00 C ATOM 1002 C SER A 74 -10.342 -12.914 5.747 1.00 1.00 C ATOM 1003 O SER A 74 -10.976 -11.904 5.438 1.00 1.00 O ATOM 1004 CB SER A 74 -10.709 -15.139 4.668 1.00 1.00 C ATOM 1005 OG SER A 74 -10.034 -16.205 5.314 1.00 1.00 O ATOM 0 H SER A 74 -8.263 -15.142 5.152 1.00 1.00 H new ATOM 0 HA SER A 74 -9.974 -13.370 3.710 1.00 1.00 H new ATOM 0 HB2 SER A 74 -11.659 -14.949 5.168 1.00 1.00 H new ATOM 0 HB3 SER A 74 -10.941 -15.421 3.641 1.00 1.00 H new ATOM 0 HG SER A 74 -10.598 -17.006 5.298 1.00 1.00 H new ATOM 1011 N ASN A 75 -10.032 -13.201 7.002 1.00 1.00 N ATOM 1012 CA ASN A 75 -10.445 -12.302 8.058 1.00 1.00 C ATOM 1013 C ASN A 75 -9.270 -11.444 8.487 1.00 1.00 C ATOM 1014 O ASN A 75 -8.494 -11.816 9.368 1.00 1.00 O ATOM 1015 CB ASN A 75 -10.984 -13.091 9.253 1.00 1.00 C ATOM 1016 CG ASN A 75 -12.380 -13.629 9.009 1.00 1.00 C ATOM 1017 OD1 ASN A 75 -12.694 -14.099 7.915 1.00 1.00 O ATOM 1018 ND2 ASN A 75 -13.227 -13.561 10.029 1.00 1.00 N ATOM 0 H ASN A 75 -9.512 -14.024 7.305 1.00 1.00 H new ATOM 0 HA ASN A 75 -11.241 -11.659 7.682 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -10.311 -13.920 9.470 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -10.994 -12.449 10.134 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -14.181 -13.906 9.924 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -12.924 -13.163 10.918 1.00 1.00 H new ATOM 1025 N ASP A 76 -9.160 -10.283 7.860 1.00 1.00 N ATOM 1026 CA ASP A 76 -8.092 -9.341 8.174 1.00 1.00 C ATOM 1027 C ASP A 76 -8.423 -7.943 7.659 1.00 1.00 C ATOM 1028 O ASP A 76 -9.066 -7.794 6.620 1.00 1.00 O ATOM 1029 CB ASP A 76 -6.763 -9.822 7.587 1.00 1.00 C ATOM 1030 CG ASP A 76 -5.676 -9.923 8.639 1.00 1.00 C ATOM 1031 OD1 ASP A 76 -5.701 -10.891 9.428 1.00 1.00 O ATOM 1032 OD2 ASP A 76 -4.800 -9.033 8.675 1.00 1.00 O ATOM 0 H ASP A 76 -9.798 -9.968 7.129 1.00 1.00 H new ATOM 0 HA ASP A 76 -7.998 -9.290 9.259 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -6.906 -10.796 7.120 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -6.445 -9.136 6.802 1.00 1.00 H new ATOM 1037 N PRO A 77 -7.978 -6.893 8.372 1.00 1.00 N ATOM 1038 CA PRO A 77 -8.229 -5.514 7.961 1.00 1.00 C ATOM 1039 C PRO A 77 -7.747 -5.254 6.537 1.00 1.00 C ATOM 1040 O PRO A 77 -8.272 -4.385 5.841 1.00 1.00 O ATOM 1041 CB PRO A 77 -7.425 -4.672 8.954 1.00 1.00 C ATOM 1042 CG PRO A 77 -7.132 -5.561 10.112 1.00 1.00 C ATOM 1043 CD PRO A 77 -7.197 -6.977 9.617 1.00 1.00 C ATOM 0 HA PRO A 77 -9.293 -5.279 7.964 1.00 1.00 H new ATOM 0 HB2 PRO A 77 -6.503 -4.309 8.499 1.00 1.00 H new ATOM 0 HB3 PRO A 77 -7.992 -3.796 9.270 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -6.147 -5.343 10.524 1.00 1.00 H new ATOM 0 HG3 PRO A 77 -7.855 -5.400 10.912 1.00 1.00 H new ATOM 0 HD2 PRO A 77 -6.201 -7.381 9.435 1.00 1.00 H new ATOM 0 HD3 PRO A 77 -7.678 -7.631 10.345 1.00 1.00 H new ATOM 1051 N LEU A 78 -6.744 -6.017 6.111 1.00 1.00 N ATOM 1052 CA LEU A 78 -6.190 -5.876 4.770 1.00 1.00 C ATOM 1053 C LEU A 78 -7.142 -6.461 3.733 1.00 1.00 C ATOM 1054 O LEU A 78 -7.453 -5.820 2.729 1.00 1.00 O ATOM 1055 CB LEU A 78 -4.831 -6.572 4.682 1.00 1.00 C ATOM 1056 CG LEU A 78 -3.942 -6.119 3.523 1.00 1.00 C ATOM 1057 CD1 LEU A 78 -3.281 -4.788 3.845 1.00 1.00 C ATOM 1058 CD2 LEU A 78 -2.891 -7.176 3.214 1.00 1.00 C ATOM 0 H LEU A 78 -6.299 -6.740 6.677 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.058 -4.814 4.563 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.295 -6.407 5.616 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.996 -7.646 4.595 1.00 1.00 H new ATOM 0 HG LEU A 78 -4.568 -5.986 2.641 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -2.653 -4.482 3.009 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -4.048 -4.033 4.018 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -2.668 -4.893 4.740 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -2.267 -6.838 2.387 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -2.269 -7.339 4.094 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -3.383 -8.109 2.939 1.00 1.00 H new ATOM 1070 N GLY A 79 -7.607 -7.681 3.987 1.00 1.00 N ATOM 1071 CA GLY A 79 -8.524 -8.330 3.070 1.00 1.00 C ATOM 1072 C GLY A 79 -9.784 -7.517 2.850 1.00 1.00 C ATOM 1073 O GLY A 79 -10.310 -7.463 1.739 1.00 1.00 O ATOM 0 H GLY A 79 -7.365 -8.231 4.811 1.00 1.00 H new ATOM 0 HA2 GLY A 79 -8.026 -8.491 2.114 1.00 1.00 H new ATOM 0 HA3 GLY A 79 -8.791 -9.312 3.460 1.00 1.00 H new ATOM 1077 N GLU A 80 -10.263 -6.879 3.912 1.00 1.00 N ATOM 1078 CA GLU A 80 -11.464 -6.057 3.832 1.00 1.00 C ATOM 1079 C GLU A 80 -11.175 -4.753 3.088 1.00 1.00 C ATOM 1080 O GLU A 80 -12.073 -4.143 2.509 1.00 1.00 O ATOM 1081 CB GLU A 80 -12.006 -5.769 5.240 1.00 1.00 C ATOM 1082 CG GLU A 80 -11.358 -4.576 5.928 1.00 1.00 C ATOM 1083 CD GLU A 80 -12.253 -3.352 5.935 1.00 1.00 C ATOM 1084 OE1 GLU A 80 -12.892 -3.079 4.897 1.00 1.00 O ATOM 1085 OE2 GLU A 80 -12.314 -2.667 6.977 1.00 1.00 O ATOM 0 H GLU A 80 -9.838 -6.915 4.838 1.00 1.00 H new ATOM 0 HA GLU A 80 -12.223 -6.605 3.274 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -13.080 -5.597 5.175 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.862 -6.654 5.860 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -11.108 -4.845 6.954 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -10.422 -4.335 5.424 1.00 1.00 H new ATOM 1092 N LEU A 81 -9.911 -4.337 3.108 1.00 1.00 N ATOM 1093 CA LEU A 81 -9.494 -3.111 2.438 1.00 1.00 C ATOM 1094 C LEU A 81 -9.350 -3.337 0.937 1.00 1.00 C ATOM 1095 O LEU A 81 -10.044 -2.712 0.134 1.00 1.00 O ATOM 1096 CB LEU A 81 -8.166 -2.622 3.019 1.00 1.00 C ATOM 1097 CG LEU A 81 -7.606 -1.349 2.383 1.00 1.00 C ATOM 1098 CD1 LEU A 81 -8.583 -0.195 2.545 1.00 1.00 C ATOM 1099 CD2 LEU A 81 -6.257 -0.998 2.995 1.00 1.00 C ATOM 0 H LEU A 81 -9.157 -4.834 3.583 1.00 1.00 H new ATOM 0 HA LEU A 81 -10.260 -2.353 2.602 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -8.297 -2.448 4.087 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -7.427 -3.417 2.914 1.00 1.00 H new ATOM 0 HG LEU A 81 -7.465 -1.530 1.317 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -8.166 0.702 2.086 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -9.526 -0.446 2.060 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -8.758 -0.012 3.605 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -5.872 -0.090 2.531 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -6.375 -0.837 4.067 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.557 -1.816 2.826 1.00 1.00 H new ATOM 1111 N PHE A 82 -8.444 -4.235 0.565 1.00 1.00 N ATOM 1112 CA PHE A 82 -8.206 -4.547 -0.840 1.00 1.00 C ATOM 1113 C PHE A 82 -9.425 -5.221 -1.463 1.00 1.00 C ATOM 1114 O PHE A 82 -9.650 -5.126 -2.670 1.00 1.00 O ATOM 1115 CB PHE A 82 -6.979 -5.451 -0.987 1.00 1.00 C ATOM 1116 CG PHE A 82 -5.696 -4.803 -0.550 1.00 1.00 C ATOM 1117 CD1 PHE A 82 -5.422 -3.484 -0.875 1.00 1.00 C ATOM 1118 CD2 PHE A 82 -4.762 -5.514 0.187 1.00 1.00 C ATOM 1119 CE1 PHE A 82 -4.243 -2.886 -0.474 1.00 1.00 C ATOM 1120 CE2 PHE A 82 -3.580 -4.921 0.591 1.00 1.00 C ATOM 1121 CZ PHE A 82 -3.321 -3.606 0.260 1.00 1.00 C ATOM 0 H PHE A 82 -7.862 -4.760 1.217 1.00 1.00 H new ATOM 0 HA PHE A 82 -8.022 -3.610 -1.365 1.00 1.00 H new ATOM 0 HB2 PHE A 82 -7.135 -6.358 -0.403 1.00 1.00 H new ATOM 0 HB3 PHE A 82 -6.885 -5.755 -2.030 1.00 1.00 H new ATOM 0 HD1 PHE A 82 -6.139 -2.916 -1.449 1.00 1.00 H new ATOM 0 HD2 PHE A 82 -4.960 -6.543 0.449 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -4.043 -1.857 -0.734 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -2.860 -5.486 1.165 1.00 1.00 H new ATOM 0 HZ PHE A 82 -2.398 -3.141 0.575 1.00 1.00 H new ATOM 1131 N GLY A 83 -10.211 -5.901 -0.634 1.00 1.00 N ATOM 1132 CA GLY A 83 -11.397 -6.579 -1.124 1.00 1.00 C ATOM 1133 C GLY A 83 -11.082 -7.917 -1.762 1.00 1.00 C ATOM 1134 O GLY A 83 -11.660 -8.274 -2.789 1.00 1.00 O ATOM 0 H GLY A 83 -10.048 -5.994 0.368 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.092 -6.729 -0.298 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.900 -5.943 -1.852 1.00 1.00 H new ATOM 1138 N VAL A 84 -10.162 -8.660 -1.155 1.00 1.00 N ATOM 1139 CA VAL A 84 -9.772 -9.966 -1.671 1.00 1.00 C ATOM 1140 C VAL A 84 -9.498 -10.948 -0.537 1.00 1.00 C ATOM 1141 O VAL A 84 -9.289 -10.547 0.608 1.00 1.00 O ATOM 1142 CB VAL A 84 -8.519 -9.866 -2.563 1.00 1.00 C ATOM 1143 CG1 VAL A 84 -8.808 -9.028 -3.798 1.00 1.00 C ATOM 1144 CG2 VAL A 84 -7.350 -9.288 -1.779 1.00 1.00 C ATOM 0 H VAL A 84 -9.673 -8.379 -0.305 1.00 1.00 H new ATOM 0 HA VAL A 84 -10.607 -10.331 -2.269 1.00 1.00 H new ATOM 0 HB VAL A 84 -8.247 -10.870 -2.889 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -7.912 -8.969 -4.415 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -9.613 -9.489 -4.370 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -9.107 -8.024 -3.495 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -6.474 -9.225 -2.425 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -7.609 -8.292 -1.421 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -7.128 -9.933 -0.929 1.00 1.00 H new ATOM 1154 N GLN A 85 -9.500 -12.236 -0.863 1.00 1.00 N ATOM 1155 CA GLN A 85 -9.252 -13.277 0.125 1.00 1.00 C ATOM 1156 C GLN A 85 -7.794 -13.727 0.083 1.00 1.00 C ATOM 1157 O GLN A 85 -7.223 -14.112 1.103 1.00 1.00 O ATOM 1158 CB GLN A 85 -10.179 -14.469 -0.121 1.00 1.00 C ATOM 1159 CG GLN A 85 -9.916 -15.647 0.803 1.00 1.00 C ATOM 1160 CD GLN A 85 -10.938 -16.755 0.641 1.00 1.00 C ATOM 1161 OE1 GLN A 85 -12.003 -16.553 0.057 1.00 1.00 O ATOM 1162 NE2 GLN A 85 -10.619 -17.935 1.161 1.00 1.00 N ATOM 0 H GLN A 85 -9.671 -12.584 -1.807 1.00 1.00 H new ATOM 0 HA GLN A 85 -9.456 -12.867 1.114 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -11.213 -14.146 0.002 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -10.068 -14.797 -1.155 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -8.921 -16.044 0.605 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -9.921 -15.301 1.837 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -9.725 -18.058 1.637 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -11.268 -18.718 1.085 1.00 1.00 H new ATOM 1171 N GLU A 86 -7.199 -13.676 -1.104 1.00 1.00 N ATOM 1172 CA GLU A 86 -5.808 -14.078 -1.280 1.00 1.00 C ATOM 1173 C GLU A 86 -5.214 -13.447 -2.534 1.00 1.00 C ATOM 1174 O GLU A 86 -5.926 -13.173 -3.500 1.00 1.00 O ATOM 1175 CB GLU A 86 -5.701 -15.601 -1.360 1.00 1.00 C ATOM 1176 CG GLU A 86 -6.569 -16.216 -2.447 1.00 1.00 C ATOM 1177 CD GLU A 86 -7.377 -17.398 -1.950 1.00 1.00 C ATOM 1178 OE1 GLU A 86 -6.857 -18.162 -1.109 1.00 1.00 O ATOM 1179 OE2 GLU A 86 -8.530 -17.561 -2.401 1.00 1.00 O ATOM 0 H GLU A 86 -7.658 -13.360 -1.958 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.243 -13.727 -0.417 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -4.661 -15.875 -1.539 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -5.982 -16.028 -0.397 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -7.246 -15.457 -2.839 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -5.936 -16.536 -3.275 1.00 1.00 H new ATOM 1186 N PHE A 87 -3.905 -13.217 -2.511 1.00 1.00 N ATOM 1187 CA PHE A 87 -3.217 -12.617 -3.648 1.00 1.00 C ATOM 1188 C PHE A 87 -1.715 -12.866 -3.567 1.00 1.00 C ATOM 1189 O PHE A 87 -1.165 -13.060 -2.483 1.00 1.00 O ATOM 1190 CB PHE A 87 -3.494 -11.113 -3.703 1.00 1.00 C ATOM 1191 CG PHE A 87 -2.929 -10.354 -2.536 1.00 1.00 C ATOM 1192 CD1 PHE A 87 -3.618 -10.289 -1.335 1.00 1.00 C ATOM 1193 CD2 PHE A 87 -1.709 -9.706 -2.640 1.00 1.00 C ATOM 1194 CE1 PHE A 87 -3.101 -9.592 -0.260 1.00 1.00 C ATOM 1195 CE2 PHE A 87 -1.186 -9.007 -1.568 1.00 1.00 C ATOM 1196 CZ PHE A 87 -1.883 -8.950 -0.377 1.00 1.00 C ATOM 0 H PHE A 87 -3.301 -13.437 -1.719 1.00 1.00 H new ATOM 0 HA PHE A 87 -3.596 -13.083 -4.558 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.076 -10.709 -4.625 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -4.571 -10.952 -3.743 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -4.570 -10.789 -1.238 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.160 -9.747 -3.569 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -3.648 -9.549 0.670 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -0.234 -8.506 -1.662 1.00 1.00 H new ATOM 0 HZ PHE A 87 -1.477 -8.404 0.462 1.00 1.00 H new ATOM 1206 N SER A 88 -1.056 -12.853 -4.720 1.00 1.00 N ATOM 1207 CA SER A 88 0.383 -13.071 -4.779 1.00 1.00 C ATOM 1208 C SER A 88 1.123 -11.741 -4.876 1.00 1.00 C ATOM 1209 O SER A 88 0.633 -10.792 -5.488 1.00 1.00 O ATOM 1210 CB SER A 88 0.740 -13.956 -5.975 1.00 1.00 C ATOM 1211 OG SER A 88 0.751 -15.325 -5.611 1.00 1.00 O ATOM 0 H SER A 88 -1.496 -12.694 -5.626 1.00 1.00 H new ATOM 0 HA SER A 88 0.690 -13.576 -3.863 1.00 1.00 H new ATOM 0 HB2 SER A 88 0.020 -13.796 -6.778 1.00 1.00 H new ATOM 0 HB3 SER A 88 1.718 -13.672 -6.363 1.00 1.00 H new ATOM 0 HG SER A 88 0.980 -15.870 -6.393 1.00 1.00 H new ATOM 1217 N VAL A 89 2.304 -11.678 -4.271 1.00 1.00 N ATOM 1218 CA VAL A 89 3.106 -10.460 -4.294 1.00 1.00 C ATOM 1219 C VAL A 89 4.047 -10.430 -5.497 1.00 1.00 C ATOM 1220 O VAL A 89 4.949 -9.596 -5.567 1.00 1.00 O ATOM 1221 CB VAL A 89 3.932 -10.295 -3.004 1.00 1.00 C ATOM 1222 CG1 VAL A 89 3.051 -9.802 -1.868 1.00 1.00 C ATOM 1223 CG2 VAL A 89 4.618 -11.599 -2.628 1.00 1.00 C ATOM 0 H VAL A 89 2.726 -12.453 -3.760 1.00 1.00 H new ATOM 0 HA VAL A 89 2.402 -9.632 -4.371 1.00 1.00 H new ATOM 0 HB VAL A 89 4.706 -9.550 -3.187 1.00 1.00 H new ATOM 0 HG11 VAL A 89 3.651 -9.691 -0.964 1.00 1.00 H new ATOM 0 HG12 VAL A 89 2.617 -8.839 -2.136 1.00 1.00 H new ATOM 0 HG13 VAL A 89 2.253 -10.522 -1.688 1.00 1.00 H new ATOM 0 HG21 VAL A 89 5.195 -11.456 -1.714 1.00 1.00 H new ATOM 0 HG22 VAL A 89 3.867 -12.372 -2.466 1.00 1.00 H new ATOM 0 HG23 VAL A 89 5.285 -11.905 -3.434 1.00 1.00 H new ATOM 1233 N LYS A 90 3.831 -11.339 -6.446 1.00 1.00 N ATOM 1234 CA LYS A 90 4.662 -11.405 -7.642 1.00 1.00 C ATOM 1235 C LYS A 90 4.273 -10.311 -8.631 1.00 1.00 C ATOM 1236 O LYS A 90 5.119 -9.783 -9.352 1.00 1.00 O ATOM 1237 CB LYS A 90 4.531 -12.779 -8.303 1.00 1.00 C ATOM 1238 CG LYS A 90 5.829 -13.287 -8.911 1.00 1.00 C ATOM 1239 CD LYS A 90 5.600 -14.534 -9.749 1.00 1.00 C ATOM 1240 CE LYS A 90 6.874 -14.978 -10.449 1.00 1.00 C ATOM 1241 NZ LYS A 90 7.539 -16.102 -9.733 1.00 1.00 N ATOM 0 H LYS A 90 3.089 -12.038 -6.408 1.00 1.00 H new ATOM 0 HA LYS A 90 5.700 -11.251 -7.346 1.00 1.00 H new ATOM 0 HB2 LYS A 90 4.181 -13.498 -7.562 1.00 1.00 H new ATOM 0 HB3 LYS A 90 3.770 -12.727 -9.082 1.00 1.00 H new ATOM 0 HG2 LYS A 90 6.272 -12.507 -9.531 1.00 1.00 H new ATOM 0 HG3 LYS A 90 6.543 -13.507 -8.117 1.00 1.00 H new ATOM 0 HD2 LYS A 90 5.234 -15.339 -9.112 1.00 1.00 H new ATOM 0 HD3 LYS A 90 4.826 -14.338 -10.491 1.00 1.00 H new ATOM 0 HE2 LYS A 90 6.640 -15.285 -11.468 1.00 1.00 H new ATOM 0 HE3 LYS A 90 7.562 -14.135 -10.520 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 8.404 -16.375 -10.242 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 7.786 -15.802 -8.768 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 6.893 -16.915 -9.688 1.00 1.00 H new ATOM 1255 N GLU A 91 2.987 -9.974 -8.657 1.00 1.00 N ATOM 1256 CA GLU A 91 2.485 -8.940 -9.555 1.00 1.00 C ATOM 1257 C GLU A 91 2.440 -7.588 -8.850 1.00 1.00 C ATOM 1258 O GLU A 91 1.386 -7.152 -8.387 1.00 1.00 O ATOM 1259 CB GLU A 91 1.092 -9.310 -10.067 1.00 1.00 C ATOM 1260 CG GLU A 91 0.134 -9.743 -8.970 1.00 1.00 C ATOM 1261 CD GLU A 91 -1.296 -9.862 -9.458 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -1.498 -10.350 -10.590 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -2.215 -9.467 -8.709 1.00 1.00 O ATOM 0 H GLU A 91 2.274 -10.402 -8.066 1.00 1.00 H new ATOM 0 HA GLU A 91 3.165 -8.866 -10.403 1.00 1.00 H new ATOM 0 HB2 GLU A 91 0.668 -8.453 -10.591 1.00 1.00 H new ATOM 0 HB3 GLU A 91 1.184 -10.115 -10.796 1.00 1.00 H new ATOM 0 HG2 GLU A 91 0.458 -10.703 -8.568 1.00 1.00 H new ATOM 0 HG3 GLU A 91 0.176 -9.024 -8.152 1.00 1.00 H new ATOM 1270 N HIS A 92 3.592 -6.931 -8.771 1.00 1.00 N ATOM 1271 CA HIS A 92 3.690 -5.629 -8.121 1.00 1.00 C ATOM 1272 C HIS A 92 2.759 -4.613 -8.777 1.00 1.00 C ATOM 1273 O HIS A 92 2.256 -3.702 -8.120 1.00 1.00 O ATOM 1274 CB HIS A 92 5.132 -5.122 -8.173 1.00 1.00 C ATOM 1275 CG HIS A 92 6.069 -5.892 -7.295 1.00 1.00 C ATOM 1276 ND1 HIS A 92 7.440 -5.864 -7.450 1.00 1.00 N ATOM 1277 CD2 HIS A 92 5.828 -6.714 -6.246 1.00 1.00 C ATOM 1278 CE1 HIS A 92 8.000 -6.636 -6.536 1.00 1.00 C ATOM 1279 NE2 HIS A 92 7.044 -7.162 -5.793 1.00 1.00 N ATOM 0 H HIS A 92 4.473 -7.279 -9.150 1.00 1.00 H new ATOM 0 HA HIS A 92 3.386 -5.749 -7.081 1.00 1.00 H new ATOM 0 HB2 HIS A 92 5.489 -5.170 -9.202 1.00 1.00 H new ATOM 0 HB3 HIS A 92 5.150 -4.073 -7.878 1.00 1.00 H new ATOM 0 HD2 HIS A 92 4.860 -6.969 -5.841 1.00 1.00 H new ATOM 0 HE1 HIS A 92 9.060 -6.808 -6.417 1.00 1.00 H new ATOM 0 HE2 HIS A 92 7.186 -7.799 -5.009 1.00 1.00 H new ATOM 1288 N ARG A 93 2.536 -4.775 -10.078 1.00 1.00 N ATOM 1289 CA ARG A 93 1.667 -3.869 -10.824 1.00 1.00 C ATOM 1290 C ARG A 93 0.278 -3.795 -10.197 1.00 1.00 C ATOM 1291 O ARG A 93 -0.326 -2.725 -10.127 1.00 1.00 O ATOM 1292 CB ARG A 93 1.557 -4.322 -12.281 1.00 1.00 C ATOM 1293 CG ARG A 93 2.677 -3.799 -13.167 1.00 1.00 C ATOM 1294 CD ARG A 93 2.142 -2.928 -14.294 1.00 1.00 C ATOM 1295 NE ARG A 93 2.362 -1.506 -14.039 1.00 1.00 N ATOM 1296 CZ ARG A 93 2.146 -0.549 -14.939 1.00 1.00 C ATOM 1297 NH1 ARG A 93 1.705 -0.857 -16.152 1.00 1.00 N ATOM 1298 NH2 ARG A 93 2.372 0.719 -14.624 1.00 1.00 N ATOM 0 H ARG A 93 2.944 -5.524 -10.637 1.00 1.00 H new ATOM 0 HA ARG A 93 2.111 -2.874 -10.789 1.00 1.00 H new ATOM 0 HB2 ARG A 93 1.557 -5.411 -12.315 1.00 1.00 H new ATOM 0 HB3 ARG A 93 0.600 -3.990 -12.685 1.00 1.00 H new ATOM 0 HG2 ARG A 93 3.379 -3.223 -12.564 1.00 1.00 H new ATOM 0 HG3 ARG A 93 3.231 -4.638 -13.587 1.00 1.00 H new ATOM 0 HD2 ARG A 93 2.627 -3.208 -15.229 1.00 1.00 H new ATOM 0 HD3 ARG A 93 1.075 -3.113 -14.420 1.00 1.00 H new ATOM 0 HE ARG A 93 2.701 -1.230 -13.117 1.00 1.00 H new ATOM 0 HH11 ARG A 93 1.530 -1.831 -16.399 1.00 1.00 H new ATOM 0 HH12 ARG A 93 1.541 -0.120 -16.838 1.00 1.00 H new ATOM 0 HH21 ARG A 93 2.711 0.961 -13.693 1.00 1.00 H new ATOM 0 HH22 ARG A 93 2.207 1.453 -15.313 1.00 1.00 H new ATOM 1312 N ARG A 94 -0.224 -4.939 -9.744 1.00 1.00 N ATOM 1313 CA ARG A 94 -1.543 -5.003 -9.126 1.00 1.00 C ATOM 1314 C ARG A 94 -1.537 -4.339 -7.751 1.00 1.00 C ATOM 1315 O ARG A 94 -2.303 -3.410 -7.497 1.00 1.00 O ATOM 1316 CB ARG A 94 -2.000 -6.459 -9.002 1.00 1.00 C ATOM 1317 CG ARG A 94 -3.058 -6.853 -10.020 1.00 1.00 C ATOM 1318 CD ARG A 94 -4.439 -6.366 -9.610 1.00 1.00 C ATOM 1319 NE ARG A 94 -5.430 -7.438 -9.643 1.00 1.00 N ATOM 1320 CZ ARG A 94 -5.567 -8.352 -8.685 1.00 1.00 C ATOM 1321 NH1 ARG A 94 -4.777 -8.329 -7.618 1.00 1.00 N ATOM 1322 NH2 ARG A 94 -6.495 -9.293 -8.793 1.00 1.00 N ATOM 0 H ARG A 94 0.263 -5.834 -9.793 1.00 1.00 H new ATOM 0 HA ARG A 94 -2.242 -4.462 -9.764 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.136 -7.113 -9.117 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -2.394 -6.623 -7.999 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -2.799 -6.437 -10.994 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.072 -7.937 -10.130 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -4.392 -5.947 -8.605 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -4.752 -5.562 -10.276 1.00 1.00 H new ATOM 0 HE ARG A 94 -6.054 -7.489 -10.448 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -4.061 -7.608 -7.529 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -4.887 -9.032 -6.887 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -7.104 -9.317 -9.611 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -6.599 -9.993 -8.059 1.00 1.00 H new ATOM 1336 N ILE A 95 -0.669 -4.825 -6.869 1.00 1.00 N ATOM 1337 CA ILE A 95 -0.561 -4.285 -5.517 1.00 1.00 C ATOM 1338 C ILE A 95 -0.385 -2.768 -5.534 1.00 1.00 C ATOM 1339 O ILE A 95 -1.049 -2.049 -4.787 1.00 1.00 O ATOM 1340 CB ILE A 95 0.613 -4.922 -4.752 1.00 1.00 C ATOM 1341 CG1 ILE A 95 0.473 -6.446 -4.750 1.00 1.00 C ATOM 1342 CG2 ILE A 95 0.674 -4.385 -3.327 1.00 1.00 C ATOM 1343 CD1 ILE A 95 1.554 -7.153 -3.966 1.00 1.00 C ATOM 0 H ILE A 95 -0.028 -5.594 -7.067 1.00 1.00 H new ATOM 0 HA ILE A 95 -1.493 -4.528 -5.007 1.00 1.00 H new ATOM 0 HB ILE A 95 1.544 -4.659 -5.254 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -0.499 -6.712 -4.334 1.00 1.00 H new ATOM 0 HG13 ILE A 95 0.489 -6.805 -5.779 1.00 1.00 H new ATOM 0 HG21 ILE A 95 1.510 -4.846 -2.800 1.00 1.00 H new ATOM 0 HG22 ILE A 95 0.812 -3.304 -3.351 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -0.256 -4.621 -2.809 1.00 1.00 H new ATOM 0 HD11 ILE A 95 1.390 -8.230 -4.009 1.00 1.00 H new ATOM 0 HD12 ILE A 95 2.528 -6.917 -4.395 1.00 1.00 H new ATOM 0 HD13 ILE A 95 1.525 -6.823 -2.928 1.00 1.00 H new ATOM 1355 N TYR A 96 0.512 -2.287 -6.389 1.00 1.00 N ATOM 1356 CA TYR A 96 0.772 -0.855 -6.500 1.00 1.00 C ATOM 1357 C TYR A 96 -0.521 -0.084 -6.755 1.00 1.00 C ATOM 1358 O TYR A 96 -0.774 0.949 -6.134 1.00 1.00 O ATOM 1359 CB TYR A 96 1.774 -0.584 -7.624 1.00 1.00 C ATOM 1360 CG TYR A 96 3.179 -0.313 -7.134 1.00 1.00 C ATOM 1361 CD1 TYR A 96 3.595 0.978 -6.836 1.00 1.00 C ATOM 1362 CD2 TYR A 96 4.092 -1.349 -6.974 1.00 1.00 C ATOM 1363 CE1 TYR A 96 4.879 1.230 -6.392 1.00 1.00 C ATOM 1364 CE2 TYR A 96 5.377 -1.106 -6.529 1.00 1.00 C ATOM 1365 CZ TYR A 96 5.766 0.185 -6.241 1.00 1.00 C ATOM 1366 OH TYR A 96 7.046 0.432 -5.799 1.00 1.00 O ATOM 0 H TYR A 96 1.071 -2.867 -7.015 1.00 1.00 H new ATOM 0 HA TYR A 96 1.195 -0.513 -5.556 1.00 1.00 H new ATOM 0 HB2 TYR A 96 1.792 -1.441 -8.297 1.00 1.00 H new ATOM 0 HB3 TYR A 96 1.431 0.271 -8.206 1.00 1.00 H new ATOM 0 HD1 TYR A 96 2.903 1.799 -6.953 1.00 1.00 H new ATOM 0 HD2 TYR A 96 3.792 -2.361 -7.201 1.00 1.00 H new ATOM 0 HE1 TYR A 96 5.186 2.240 -6.164 1.00 1.00 H new ATOM 0 HE2 TYR A 96 6.073 -1.923 -6.407 1.00 1.00 H new ATOM 0 HH TYR A 96 7.542 -0.411 -5.746 1.00 1.00 H new ATOM 1376 N ALA A 97 -1.337 -0.596 -7.671 1.00 1.00 N ATOM 1377 CA ALA A 97 -2.605 0.041 -8.008 1.00 1.00 C ATOM 1378 C ALA A 97 -3.613 -0.098 -6.871 1.00 1.00 C ATOM 1379 O ALA A 97 -4.522 0.720 -6.730 1.00 1.00 O ATOM 1380 CB ALA A 97 -3.168 -0.553 -9.291 1.00 1.00 C ATOM 0 H ALA A 97 -1.143 -1.450 -8.193 1.00 1.00 H new ATOM 0 HA ALA A 97 -2.418 1.104 -8.162 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -4.115 -0.069 -9.531 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -2.462 -0.394 -10.106 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -3.331 -1.622 -9.156 1.00 1.00 H new ATOM 1386 N MET A 98 -3.448 -1.141 -6.063 1.00 1.00 N ATOM 1387 CA MET A 98 -4.346 -1.388 -4.940 1.00 1.00 C ATOM 1388 C MET A 98 -4.224 -0.286 -3.891 1.00 1.00 C ATOM 1389 O MET A 98 -5.212 0.356 -3.531 1.00 1.00 O ATOM 1390 CB MET A 98 -4.040 -2.747 -4.306 1.00 1.00 C ATOM 1391 CG MET A 98 -4.282 -3.922 -5.238 1.00 1.00 C ATOM 1392 SD MET A 98 -4.940 -5.365 -4.380 1.00 1.00 S ATOM 1393 CE MET A 98 -3.516 -5.861 -3.414 1.00 1.00 C ATOM 0 H MET A 98 -2.701 -1.828 -6.165 1.00 1.00 H new ATOM 0 HA MET A 98 -5.368 -1.392 -5.319 1.00 1.00 H new ATOM 0 HB2 MET A 98 -3.000 -2.761 -3.981 1.00 1.00 H new ATOM 0 HB3 MET A 98 -4.655 -2.869 -3.414 1.00 1.00 H new ATOM 0 HG2 MET A 98 -4.977 -3.622 -6.022 1.00 1.00 H new ATOM 0 HG3 MET A 98 -3.346 -4.191 -5.728 1.00 1.00 H new ATOM 0 HE1 MET A 98 -3.811 -6.628 -2.698 1.00 1.00 H new ATOM 0 HE2 MET A 98 -2.748 -6.259 -4.077 1.00 1.00 H new ATOM 0 HE3 MET A 98 -3.121 -4.998 -2.878 1.00 1.00 H new ATOM 1403 N ILE A 99 -3.007 -0.074 -3.402 1.00 1.00 N ATOM 1404 CA ILE A 99 -2.754 0.947 -2.390 1.00 1.00 C ATOM 1405 C ILE A 99 -3.246 2.318 -2.845 1.00 1.00 C ATOM 1406 O ILE A 99 -3.832 3.068 -2.064 1.00 1.00 O ATOM 1407 CB ILE A 99 -1.255 1.044 -2.051 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -0.679 -0.345 -1.765 1.00 1.00 C ATOM 1409 CG2 ILE A 99 -1.039 1.969 -0.861 1.00 1.00 C ATOM 1410 CD1 ILE A 99 0.561 -0.659 -2.572 1.00 1.00 C ATOM 0 H ILE A 99 -2.179 -0.596 -3.690 1.00 1.00 H new ATOM 0 HA ILE A 99 -3.305 0.645 -1.500 1.00 1.00 H new ATOM 0 HB ILE A 99 -0.732 1.461 -2.911 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -0.442 -0.420 -0.704 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -1.440 -1.096 -1.975 1.00 1.00 H new ATOM 0 HG21 ILE A 99 0.025 2.027 -0.634 1.00 1.00 H new ATOM 0 HG22 ILE A 99 -1.414 2.964 -1.101 1.00 1.00 H new ATOM 0 HG23 ILE A 99 -1.574 1.579 0.005 1.00 1.00 H new ATOM 0 HD11 ILE A 99 0.916 -1.658 -2.320 1.00 1.00 H new ATOM 0 HD12 ILE A 99 0.324 -0.616 -3.635 1.00 1.00 H new ATOM 0 HD13 ILE A 99 1.338 0.071 -2.344 1.00 1.00 H new ATOM 1422 N SER A 100 -3.000 2.642 -4.112 1.00 1.00 N ATOM 1423 CA SER A 100 -3.413 3.928 -4.670 1.00 1.00 C ATOM 1424 C SER A 100 -4.892 4.199 -4.405 1.00 1.00 C ATOM 1425 O SER A 100 -5.262 5.279 -3.944 1.00 1.00 O ATOM 1426 CB SER A 100 -3.137 3.966 -6.175 1.00 1.00 C ATOM 1427 OG SER A 100 -2.978 2.660 -6.699 1.00 1.00 O ATOM 0 H SER A 100 -2.517 2.032 -4.772 1.00 1.00 H new ATOM 0 HA SER A 100 -2.831 4.707 -4.178 1.00 1.00 H new ATOM 0 HB2 SER A 100 -3.959 4.468 -6.686 1.00 1.00 H new ATOM 0 HB3 SER A 100 -2.237 4.550 -6.368 1.00 1.00 H new ATOM 0 HG SER A 100 -3.859 2.275 -6.891 1.00 1.00 H new ATOM 1433 N ARG A 101 -5.733 3.215 -4.700 1.00 1.00 N ATOM 1434 CA ARG A 101 -7.171 3.351 -4.493 1.00 1.00 C ATOM 1435 C ARG A 101 -7.511 3.470 -3.008 1.00 1.00 C ATOM 1436 O ARG A 101 -8.622 3.862 -2.649 1.00 1.00 O ATOM 1437 CB ARG A 101 -7.909 2.157 -5.101 1.00 1.00 C ATOM 1438 CG ARG A 101 -7.556 1.900 -6.558 1.00 1.00 C ATOM 1439 CD ARG A 101 -7.971 0.505 -6.998 1.00 1.00 C ATOM 1440 NE ARG A 101 -9.059 0.539 -7.973 1.00 1.00 N ATOM 1441 CZ ARG A 101 -10.344 0.670 -7.648 1.00 1.00 C ATOM 1442 NH1 ARG A 101 -10.708 0.778 -6.376 1.00 1.00 N ATOM 1443 NH2 ARG A 101 -11.268 0.694 -8.598 1.00 1.00 N ATOM 0 H ARG A 101 -5.445 2.315 -5.083 1.00 1.00 H new ATOM 0 HA ARG A 101 -7.493 4.266 -4.990 1.00 1.00 H new ATOM 0 HB2 ARG A 101 -7.681 1.265 -4.518 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -8.983 2.325 -5.020 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -8.047 2.642 -7.188 1.00 1.00 H new ATOM 0 HG3 ARG A 101 -6.482 2.022 -6.700 1.00 1.00 H new ATOM 0 HD2 ARG A 101 -7.113 -0.009 -7.431 1.00 1.00 H new ATOM 0 HD3 ARG A 101 -8.282 -0.072 -6.127 1.00 1.00 H new ATOM 0 HE ARG A 101 -8.820 0.458 -8.961 1.00 1.00 H new ATOM 0 HH11 ARG A 101 -10.002 0.761 -5.640 1.00 1.00 H new ATOM 0 HH12 ARG A 101 -11.694 0.878 -6.134 1.00 1.00 H new ATOM 0 HH21 ARG A 101 -10.995 0.612 -9.577 1.00 1.00 H new ATOM 0 HH22 ARG A 101 -12.252 0.794 -8.350 1.00 1.00 H new ATOM 1457 N ASN A 102 -6.556 3.124 -2.148 1.00 1.00 N ATOM 1458 CA ASN A 102 -6.769 3.189 -0.705 1.00 1.00 C ATOM 1459 C ASN A 102 -6.236 4.495 -0.120 1.00 1.00 C ATOM 1460 O ASN A 102 -5.780 4.530 1.023 1.00 1.00 O ATOM 1461 CB ASN A 102 -6.093 2.002 -0.021 1.00 1.00 C ATOM 1462 CG ASN A 102 -6.721 0.678 -0.413 1.00 1.00 C ATOM 1463 OD1 ASN A 102 -7.820 0.640 -0.966 1.00 1.00 O ATOM 1464 ND2 ASN A 102 -6.026 -0.416 -0.127 1.00 1.00 N ATOM 0 H ASN A 102 -5.630 2.797 -2.424 1.00 1.00 H new ATOM 0 HA ASN A 102 -7.843 3.150 -0.525 1.00 1.00 H new ATOM 0 HB2 ASN A 102 -5.034 1.991 -0.281 1.00 1.00 H new ATOM 0 HB3 ASN A 102 -6.155 2.125 1.060 1.00 1.00 H new ATOM 0 HD21 ASN A 102 -6.399 -1.335 -0.366 1.00 1.00 H new ATOM 0 HD22 ASN A 102 -5.119 -0.338 0.332 1.00 1.00 H new ATOM 1471 N LEU A 103 -6.297 5.566 -0.904 1.00 1.00 N ATOM 1472 CA LEU A 103 -5.820 6.868 -0.452 1.00 1.00 C ATOM 1473 C LEU A 103 -6.873 7.947 -0.684 1.00 1.00 C ATOM 1474 O LEU A 103 -7.233 8.242 -1.824 1.00 1.00 O ATOM 1475 CB LEU A 103 -4.525 7.238 -1.176 1.00 1.00 C ATOM 1476 CG LEU A 103 -3.466 6.135 -1.206 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -2.517 6.339 -2.376 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -2.697 6.100 0.107 1.00 1.00 C ATOM 0 H LEU A 103 -6.671 5.559 -1.853 1.00 1.00 H new ATOM 0 HA LEU A 103 -5.625 6.803 0.618 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -4.766 7.518 -2.201 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -4.097 8.119 -0.698 1.00 1.00 H new ATOM 0 HG LEU A 103 -3.969 5.177 -1.336 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -1.770 5.545 -2.382 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -3.080 6.315 -3.309 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -2.020 7.304 -2.277 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -1.947 5.310 0.069 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -2.205 7.059 0.266 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -3.387 5.906 0.928 1.00 1.00 H new ATOM 1490 N VAL A 104 -7.367 8.531 0.404 1.00 1.00 N ATOM 1491 CA VAL A 104 -8.383 9.576 0.314 1.00 1.00 C ATOM 1492 C VAL A 104 -7.900 10.750 -0.537 1.00 1.00 C ATOM 1493 O VAL A 104 -8.455 11.021 -1.602 1.00 1.00 O ATOM 1494 CB VAL A 104 -8.813 10.089 1.709 1.00 1.00 C ATOM 1495 CG1 VAL A 104 -9.876 9.178 2.302 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -7.621 10.208 2.653 1.00 1.00 C ATOM 0 H VAL A 104 -7.082 8.300 1.356 1.00 1.00 H new ATOM 0 HA VAL A 104 -9.250 9.122 -0.166 1.00 1.00 H new ATOM 0 HB VAL A 104 -9.234 11.086 1.583 1.00 1.00 H new ATOM 0 HG11 VAL A 104 -10.169 9.551 3.283 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -10.746 9.160 1.646 1.00 1.00 H new ATOM 0 HG13 VAL A 104 -9.476 8.169 2.402 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -7.960 10.571 3.623 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -7.154 9.231 2.774 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -6.896 10.908 2.237 1.00 1.00 H new ATOM 1506 N SER A 105 -6.863 11.439 -0.070 1.00 1.00 N ATOM 1507 CA SER A 105 -6.309 12.575 -0.797 1.00 1.00 C ATOM 1508 C SER A 105 -4.956 12.218 -1.405 1.00 1.00 C ATOM 1509 O SER A 105 -4.062 11.735 -0.711 1.00 1.00 O ATOM 1510 CB SER A 105 -6.161 13.781 0.133 1.00 1.00 C ATOM 1511 OG SER A 105 -5.828 14.949 -0.595 1.00 1.00 O ATOM 0 H SER A 105 -6.390 11.230 0.809 1.00 1.00 H new ATOM 0 HA SER A 105 -6.996 12.831 -1.603 1.00 1.00 H new ATOM 0 HB2 SER A 105 -7.092 13.941 0.677 1.00 1.00 H new ATOM 0 HB3 SER A 105 -5.389 13.579 0.875 1.00 1.00 H new ATOM 0 HG SER A 105 -5.741 15.705 0.022 1.00 1.00 H new ATOM 1517 N ALA A 106 -4.811 12.459 -2.704 1.00 1.00 N ATOM 1518 CA ALA A 106 -3.566 12.160 -3.401 1.00 1.00 C ATOM 1519 C ALA A 106 -2.876 13.438 -3.868 1.00 1.00 C ATOM 1520 O ALA A 106 -3.442 14.214 -4.638 1.00 1.00 O ATOM 1521 CB ALA A 106 -3.830 11.239 -4.582 1.00 1.00 C ATOM 0 H ALA A 106 -5.540 12.860 -3.294 1.00 1.00 H new ATOM 0 HA ALA A 106 -2.900 11.654 -2.702 1.00 1.00 H new ATOM 0 HB1 ALA A 106 -2.891 11.024 -5.093 1.00 1.00 H new ATOM 0 HB2 ALA A 106 -4.270 10.308 -4.226 1.00 1.00 H new ATOM 0 HB3 ALA A 106 -4.518 11.724 -5.275 1.00 1.00 H new ATOM 1527 N ASN A 107 -1.651 13.650 -3.398 1.00 1.00 N ATOM 1528 CA ASN A 107 -0.886 14.835 -3.770 1.00 1.00 C ATOM 1529 C ASN A 107 -0.004 14.554 -4.982 1.00 1.00 C ATOM 1530 O ASN A 107 1.063 13.951 -4.860 1.00 1.00 O ATOM 1531 CB ASN A 107 -0.024 15.301 -2.595 1.00 1.00 C ATOM 1532 CG ASN A 107 -0.839 15.993 -1.520 1.00 1.00 C ATOM 1533 OD1 ASN A 107 -1.712 16.809 -1.816 1.00 1.00 O ATOM 1534 ND2 ASN A 107 -0.555 15.671 -0.264 1.00 1.00 N ATOM 0 H ASN A 107 -1.167 13.018 -2.760 1.00 1.00 H new ATOM 0 HA ASN A 107 -1.591 15.625 -4.031 1.00 1.00 H new ATOM 0 HB2 ASN A 107 0.490 14.443 -2.162 1.00 1.00 H new ATOM 0 HB3 ASN A 107 0.745 15.982 -2.959 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -1.069 16.105 0.503 1.00 1.00 H new ATOM 0 HD22 ASN A 107 0.177 14.989 -0.065 1.00 1.00 H new ATOM 1541 N VAL A 108 -0.457 14.994 -6.152 1.00 1.00 N ATOM 1542 CA VAL A 108 0.290 14.790 -7.387 1.00 1.00 C ATOM 1543 C VAL A 108 0.519 16.112 -8.117 1.00 1.00 C ATOM 1544 O VAL A 108 -0.190 17.092 -7.885 1.00 1.00 O ATOM 1545 CB VAL A 108 -0.427 13.795 -8.327 1.00 1.00 C ATOM 1546 CG1 VAL A 108 -1.513 14.488 -9.138 1.00 1.00 C ATOM 1547 CG2 VAL A 108 0.577 13.113 -9.244 1.00 1.00 C ATOM 0 H VAL A 108 -1.338 15.494 -6.270 1.00 1.00 H new ATOM 0 HA VAL A 108 1.255 14.368 -7.108 1.00 1.00 H new ATOM 0 HB VAL A 108 -0.907 13.035 -7.711 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -1.999 13.762 -9.790 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -2.251 14.921 -8.463 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -1.067 15.278 -9.743 1.00 1.00 H new ATOM 0 HG21 VAL A 108 0.056 12.415 -9.900 1.00 1.00 H new ATOM 0 HG22 VAL A 108 1.088 13.864 -9.846 1.00 1.00 H new ATOM 0 HG23 VAL A 108 1.307 12.570 -8.644 1.00 1.00 H new ATOM 1557 N LYS A 109 1.511 16.130 -8.999 1.00 1.00 N ATOM 1558 CA LYS A 109 1.833 17.329 -9.764 1.00 1.00 C ATOM 1559 C LYS A 109 1.218 17.265 -11.158 1.00 1.00 C ATOM 1560 O LYS A 109 1.433 16.306 -11.899 1.00 1.00 O ATOM 1561 CB LYS A 109 3.349 17.501 -9.870 1.00 1.00 C ATOM 1562 CG LYS A 109 4.081 16.220 -10.229 1.00 1.00 C ATOM 1563 CD LYS A 109 5.321 16.500 -11.063 1.00 1.00 C ATOM 1564 CE LYS A 109 6.581 16.475 -10.213 1.00 1.00 C ATOM 1565 NZ LYS A 109 7.814 16.525 -11.047 1.00 1.00 N ATOM 0 H LYS A 109 2.107 15.328 -9.202 1.00 1.00 H new ATOM 0 HA LYS A 109 1.414 18.188 -9.240 1.00 1.00 H new ATOM 0 HB2 LYS A 109 3.569 18.259 -10.622 1.00 1.00 H new ATOM 0 HB3 LYS A 109 3.731 17.875 -8.920 1.00 1.00 H new ATOM 0 HG2 LYS A 109 4.366 15.695 -9.317 1.00 1.00 H new ATOM 0 HG3 LYS A 109 3.412 15.560 -10.781 1.00 1.00 H new ATOM 0 HD2 LYS A 109 5.402 15.758 -11.857 1.00 1.00 H new ATOM 0 HD3 LYS A 109 5.225 17.473 -11.545 1.00 1.00 H new ATOM 0 HE2 LYS A 109 6.573 17.321 -9.526 1.00 1.00 H new ATOM 0 HE3 LYS A 109 6.591 15.571 -9.604 1.00 1.00 H new ATOM 0 HZ1 LYS A 109 8.651 16.506 -10.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 109 7.835 15.704 -11.685 1.00 1.00 H new ATOM 0 HZ3 LYS A 109 7.818 17.400 -11.609 1.00 1.00 H new ATOM 1579 N GLU A 110 0.450 18.292 -11.508 1.00 1.00 N ATOM 1580 CA GLU A 110 -0.197 18.351 -12.814 1.00 1.00 C ATOM 1581 C GLU A 110 -1.151 17.175 -13.001 1.00 1.00 C ATOM 1582 O GLU A 110 -1.086 16.188 -12.269 1.00 1.00 O ATOM 1583 CB GLU A 110 0.852 18.354 -13.927 1.00 1.00 C ATOM 1584 CG GLU A 110 0.440 19.156 -15.150 1.00 1.00 C ATOM 1585 CD GLU A 110 -0.205 18.298 -16.220 1.00 1.00 C ATOM 1586 OE1 GLU A 110 0.282 17.171 -16.451 1.00 1.00 O ATOM 1587 OE2 GLU A 110 -1.197 18.752 -16.828 1.00 1.00 O ATOM 0 H GLU A 110 0.261 19.094 -10.906 1.00 1.00 H new ATOM 0 HA GLU A 110 -0.773 19.275 -12.865 1.00 1.00 H new ATOM 0 HB2 GLU A 110 1.785 18.759 -13.535 1.00 1.00 H new ATOM 0 HB3 GLU A 110 1.053 17.326 -14.228 1.00 1.00 H new ATOM 0 HG2 GLU A 110 -0.256 19.939 -14.849 1.00 1.00 H new ATOM 0 HG3 GLU A 110 1.317 19.652 -15.567 1.00 1.00 H new ATOM 1594 N SER A 111 -2.035 17.288 -13.987 1.00 1.00 N ATOM 1595 CA SER A 111 -3.002 16.234 -14.270 1.00 1.00 C ATOM 1596 C SER A 111 -2.358 15.104 -15.065 1.00 1.00 C ATOM 1597 O SER A 111 -1.408 15.323 -15.816 1.00 1.00 O ATOM 1598 CB SER A 111 -4.195 16.801 -15.042 1.00 1.00 C ATOM 1599 OG SER A 111 -5.302 15.918 -14.991 1.00 1.00 O ATOM 0 H SER A 111 -2.102 18.098 -14.603 1.00 1.00 H new ATOM 0 HA SER A 111 -3.352 15.832 -13.319 1.00 1.00 H new ATOM 0 HB2 SER A 111 -4.477 17.767 -14.623 1.00 1.00 H new ATOM 0 HB3 SER A 111 -3.911 16.974 -16.080 1.00 1.00 H new ATOM 0 HG SER A 111 -6.052 16.304 -15.490 1.00 1.00 H new ATOM 1605 N SER A 112 -2.882 13.894 -14.895 1.00 1.00 N ATOM 1606 CA SER A 112 -2.358 12.729 -15.597 1.00 1.00 C ATOM 1607 C SER A 112 -3.118 12.490 -16.898 1.00 1.00 C ATOM 1608 O SER A 112 -4.247 12.952 -17.062 1.00 1.00 O ATOM 1609 CB SER A 112 -2.446 11.488 -14.707 1.00 1.00 C ATOM 1610 OG SER A 112 -2.073 10.321 -15.419 1.00 1.00 O ATOM 0 H SER A 112 -3.669 13.695 -14.277 1.00 1.00 H new ATOM 0 HA SER A 112 -1.313 12.922 -15.838 1.00 1.00 H new ATOM 0 HB2 SER A 112 -1.797 11.612 -13.840 1.00 1.00 H new ATOM 0 HB3 SER A 112 -3.463 11.378 -14.330 1.00 1.00 H new ATOM 0 HG SER A 112 -2.136 9.542 -14.827 1.00 1.00 H new ATOM 1616 N GLU A 113 -2.491 11.767 -17.820 1.00 1.00 N ATOM 1617 CA GLU A 113 -3.109 11.467 -19.106 1.00 1.00 C ATOM 1618 C GLU A 113 -3.734 10.076 -19.098 1.00 1.00 C ATOM 1619 O GLU A 113 -3.280 9.184 -18.380 1.00 1.00 O ATOM 1620 CB GLU A 113 -2.075 11.568 -20.228 1.00 1.00 C ATOM 1621 CG GLU A 113 -0.917 10.594 -20.079 1.00 1.00 C ATOM 1622 CD GLU A 113 -0.313 10.197 -21.411 1.00 1.00 C ATOM 1623 OE1 GLU A 113 -0.923 9.364 -22.115 1.00 1.00 O ATOM 1624 OE2 GLU A 113 0.769 10.719 -21.752 1.00 1.00 O ATOM 0 H GLU A 113 -1.556 11.378 -17.700 1.00 1.00 H new ATOM 0 HA GLU A 113 -3.898 12.199 -19.281 1.00 1.00 H new ATOM 0 HB2 GLU A 113 -2.569 11.389 -21.183 1.00 1.00 H new ATOM 0 HB3 GLU A 113 -1.682 12.584 -20.258 1.00 1.00 H new ATOM 0 HG2 GLU A 113 -0.146 11.045 -19.455 1.00 1.00 H new ATOM 0 HG3 GLU A 113 -1.264 9.700 -19.561 1.00 1.00 H new ATOM 1631 N ASP A 114 -4.778 9.897 -19.901 1.00 1.00 N ATOM 1632 CA ASP A 114 -5.465 8.614 -19.987 1.00 1.00 C ATOM 1633 C ASP A 114 -4.958 7.803 -21.176 1.00 1.00 C ATOM 1634 O ASP A 114 -4.584 8.363 -22.206 1.00 1.00 O ATOM 1635 CB ASP A 114 -6.975 8.827 -20.108 1.00 1.00 C ATOM 1636 CG ASP A 114 -7.347 9.644 -21.331 1.00 1.00 C ATOM 1637 OD1 ASP A 114 -6.573 10.555 -21.694 1.00 1.00 O ATOM 1638 OD2 ASP A 114 -8.412 9.372 -21.924 1.00 1.00 O ATOM 0 H ASP A 114 -5.166 10.624 -20.501 1.00 1.00 H new ATOM 0 HA ASP A 114 -5.255 8.057 -19.074 1.00 1.00 H new ATOM 0 HB2 ASP A 114 -7.473 7.859 -20.156 1.00 1.00 H new ATOM 0 HB3 ASP A 114 -7.341 9.330 -19.213 1.00 1.00 H new ATOM 1643 N ILE A 115 -4.960 6.482 -21.029 1.00 1.00 N ATOM 1644 CA ILE A 115 -4.517 5.597 -22.086 1.00 1.00 C ATOM 1645 C ILE A 115 -5.696 4.824 -22.651 1.00 1.00 C ATOM 1646 O ILE A 115 -6.172 3.858 -22.057 1.00 1.00 O ATOM 1647 CB ILE A 115 -3.454 4.602 -21.583 1.00 1.00 C ATOM 1648 CG1 ILE A 115 -2.345 5.342 -20.833 1.00 1.00 C ATOM 1649 CG2 ILE A 115 -2.876 3.810 -22.746 1.00 1.00 C ATOM 1650 CD1 ILE A 115 -1.263 4.430 -20.296 1.00 1.00 C ATOM 0 H ILE A 115 -5.266 6.005 -20.181 1.00 1.00 H new ATOM 0 HA ILE A 115 -4.071 6.216 -22.865 1.00 1.00 H new ATOM 0 HB ILE A 115 -3.930 3.904 -20.894 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -1.892 6.075 -21.501 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -2.786 5.896 -20.004 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -2.127 3.112 -22.374 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -3.674 3.256 -23.241 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -2.413 4.494 -23.457 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -0.511 5.024 -19.777 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -1.702 3.713 -19.602 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -0.795 3.895 -21.122 1.00 1.00 H new ATOM 1662 N PHE A 116 -6.155 5.266 -23.804 1.00 1.00 N ATOM 1663 CA PHE A 116 -7.283 4.637 -24.482 1.00 1.00 C ATOM 1664 C PHE A 116 -6.837 3.951 -25.772 1.00 1.00 C ATOM 1665 O PHE A 116 -7.520 3.061 -26.279 1.00 1.00 O ATOM 1666 CB PHE A 116 -8.363 5.676 -24.788 1.00 1.00 C ATOM 1667 CG PHE A 116 -9.456 5.727 -23.758 1.00 1.00 C ATOM 1668 CD1 PHE A 116 -10.165 4.585 -23.424 1.00 1.00 C ATOM 1669 CD2 PHE A 116 -9.773 6.918 -23.125 1.00 1.00 C ATOM 1670 CE1 PHE A 116 -11.171 4.629 -22.477 1.00 1.00 C ATOM 1671 CE2 PHE A 116 -10.778 6.969 -22.177 1.00 1.00 C ATOM 1672 CZ PHE A 116 -11.478 5.823 -21.853 1.00 1.00 C ATOM 0 H PHE A 116 -5.763 6.067 -24.300 1.00 1.00 H new ATOM 0 HA PHE A 116 -7.695 3.878 -23.817 1.00 1.00 H new ATOM 0 HB2 PHE A 116 -7.899 6.659 -24.862 1.00 1.00 H new ATOM 0 HB3 PHE A 116 -8.802 5.456 -25.761 1.00 1.00 H new ATOM 0 HD1 PHE A 116 -9.929 3.649 -23.909 1.00 1.00 H new ATOM 0 HD2 PHE A 116 -9.229 7.817 -23.375 1.00 1.00 H new ATOM 0 HE1 PHE A 116 -11.716 3.731 -22.225 1.00 1.00 H new ATOM 0 HE2 PHE A 116 -11.015 7.903 -21.690 1.00 1.00 H new ATOM 0 HZ PHE A 116 -12.264 5.860 -21.113 1.00 1.00 H new ATOM 1682 N GLY A 117 -5.689 4.370 -26.300 1.00 1.00 N ATOM 1683 CA GLY A 117 -5.178 3.783 -27.525 1.00 1.00 C ATOM 1684 C GLY A 117 -5.078 4.791 -28.653 1.00 1.00 C ATOM 1685 O GLY A 117 -5.391 4.480 -29.803 1.00 1.00 O ATOM 0 H GLY A 117 -5.105 5.105 -25.901 1.00 1.00 H new ATOM 0 HA2 GLY A 117 -4.194 3.355 -27.336 1.00 1.00 H new ATOM 0 HA3 GLY A 117 -5.829 2.964 -27.831 1.00 1.00 H new ATOM 1689 N ASN A 118 -4.641 6.002 -28.324 1.00 1.00 N ATOM 1690 CA ASN A 118 -4.500 7.061 -29.317 1.00 1.00 C ATOM 1691 C ASN A 118 -3.065 7.577 -29.363 1.00 1.00 C ATOM 1692 O ASN A 118 -2.556 8.111 -28.377 1.00 1.00 O ATOM 1693 CB ASN A 118 -5.458 8.211 -29.005 1.00 1.00 C ATOM 1694 CG ASN A 118 -5.394 8.639 -27.552 1.00 1.00 C ATOM 1695 OD1 ASN A 118 -4.493 8.239 -26.814 1.00 1.00 O ATOM 1696 ND2 ASN A 118 -6.353 9.457 -27.133 1.00 1.00 N ATOM 0 H ASN A 118 -4.378 6.275 -27.377 1.00 1.00 H new ATOM 0 HA ASN A 118 -4.748 6.645 -30.293 1.00 1.00 H new ATOM 0 HB2 ASN A 118 -5.219 9.062 -29.642 1.00 1.00 H new ATOM 0 HB3 ASN A 118 -6.477 7.908 -29.247 1.00 1.00 H new ATOM 0 HD21 ASN A 118 -6.362 9.779 -26.165 1.00 1.00 H new ATOM 0 HD22 ASN A 118 -7.080 9.763 -27.779 1.00 1.00 H new ATOM 1703 N VAL A 119 -2.419 7.416 -30.513 1.00 1.00 N ATOM 1704 CA VAL A 119 -1.044 7.868 -30.688 1.00 1.00 C ATOM 1705 C VAL A 119 -0.933 8.860 -31.840 1.00 1.00 C ATOM 1706 O VAL A 119 -0.203 9.847 -31.754 1.00 1.00 O ATOM 1707 CB VAL A 119 -0.092 6.686 -30.952 1.00 1.00 C ATOM 1708 CG1 VAL A 119 1.356 7.150 -30.926 1.00 1.00 C ATOM 1709 CG2 VAL A 119 -0.323 5.577 -29.936 1.00 1.00 C ATOM 0 H VAL A 119 -2.826 6.976 -31.338 1.00 1.00 H new ATOM 0 HA VAL A 119 -0.754 8.359 -29.759 1.00 1.00 H new ATOM 0 HB VAL A 119 -0.303 6.288 -31.944 1.00 1.00 H new ATOM 0 HG11 VAL A 119 2.013 6.301 -31.114 1.00 1.00 H new ATOM 0 HG12 VAL A 119 1.510 7.906 -31.696 1.00 1.00 H new ATOM 0 HG13 VAL A 119 1.584 7.576 -29.949 1.00 1.00 H new ATOM 0 HG21 VAL A 119 0.358 4.751 -30.138 1.00 1.00 H new ATOM 0 HG22 VAL A 119 -0.141 5.960 -28.932 1.00 1.00 H new ATOM 0 HG23 VAL A 119 -1.352 5.225 -30.009 1.00 1.00 H new TER 1719 VAL A 119 HETATM 1720 C1 IMY A 120 7.516 -8.137 -0.053 1.00 1.00 C HETATM 1721 N2 IMY A 120 7.307 -7.409 1.035 1.00 1.00 N HETATM 1722 C3 IMY A 120 6.794 -6.065 0.622 1.00 1.00 C HETATM 1723 C4 IMY A 120 7.402 -5.988 -0.822 1.00 1.00 C HETATM 1724 N5 IMY A 120 7.492 -7.409 -1.170 1.00 1.00 N HETATM 1725 C13 IMY A 120 5.276 -5.976 0.681 1.00 1.00 C HETATM 1726 C14 IMY A 120 4.670 -4.718 0.844 1.00 1.00 C HETATM 1727 C15 IMY A 120 3.280 -4.579 0.794 1.00 1.00 C HETATM 1728 C16 IMY A 120 2.478 -5.681 0.555 1.00 1.00 C HETATM 1729 C17 IMY A 120 3.054 -6.934 0.434 1.00 1.00 C HETATM 1730 C18 IMY A 120 4.437 -7.089 0.500 1.00 1.00 C HETATM 1731 CL16 IMY A 120 0.776 -5.501 0.416 1.00 1.00 CL HETATM 1732 C20 IMY A 120 7.140 -3.827 -2.093 1.00 1.00 C HETATM 1733 C21 IMY A 120 6.562 -3.037 -3.087 1.00 1.00 C HETATM 1734 C22 IMY A 120 5.577 -3.572 -3.910 1.00 1.00 C HETATM 1735 C23 IMY A 120 5.173 -4.892 -3.749 1.00 1.00 C HETATM 1736 C24 IMY A 120 5.793 -5.697 -2.794 1.00 1.00 C HETATM 1737 C19 IMY A 120 6.765 -5.174 -1.926 1.00 1.00 C HETATM 1738 CL22 IMY A 120 4.865 -2.608 -5.138 1.00 1.00 CL HETATM 1739 C28 IMY A 120 7.629 -11.898 0.565 1.00 1.00 C HETATM 1740 C29 IMY A 120 7.497 -10.523 0.842 1.00 1.00 C HETATM 1741 C34 IMY A 120 7.751 -9.585 -0.182 1.00 1.00 C HETATM 1742 C25 IMY A 120 8.148 -10.063 -1.452 1.00 1.00 C HETATM 1743 C26 IMY A 120 8.273 -11.425 -1.712 1.00 1.00 C HETATM 1744 C27 IMY A 120 8.005 -12.347 -0.700 1.00 1.00 C HETATM 1745 O3 IMY A 120 7.107 -10.025 2.080 1.00 1.00 O HETATM 1746 C31 IMY A 120 6.409 -10.896 3.004 1.00 1.00 C HETATM 1747 C32 IMY A 120 5.759 -10.094 4.132 1.00 1.00 C HETATM 1748 C33 IMY A 120 5.325 -11.615 2.209 1.00 1.00 C HETATM 1749 O2 IMY A 120 8.042 -13.725 -0.843 1.00 1.00 O HETATM 1750 C30 IMY A 120 8.749 -14.226 -1.983 1.00 1.00 C HETATM 0 H333 IMY A 120 4.641 -10.882 1.781 1.00 1.00 H new HETATM 0 H332 IMY A 120 5.785 -12.194 1.408 1.00 1.00 H new HETATM 0 H331 IMY A 120 4.773 -12.284 2.869 1.00 1.00 H new HETATM 0 H323 IMY A 120 6.527 -9.549 4.680 1.00 1.00 H new HETATM 0 H322 IMY A 120 5.043 -9.388 3.711 1.00 1.00 H new HETATM 0 H321 IMY A 120 5.242 -10.773 4.810 1.00 1.00 H new HETATM 0 H302 IMY A 120 8.289 -13.843 -2.894 1.00 1.00 H new HETATM 0 H301 IMY A 120 9.789 -13.902 -1.938 1.00 1.00 H new HETATM 0 H4 IMY A 120 8.318 -5.400 -0.765 1.00 1.00 H new HETATM 0 H31 IMY A 120 7.111 -11.597 3.456 1.00 1.00 H new HETATM 0 H30 IMY A 120 8.708 -15.315 -1.986 1.00 1.00 H new HETATM 0 H3 IMY A 120 7.076 -5.229 1.262 1.00 1.00 H new HETATM 0 H28 IMY A 120 7.434 -12.624 1.354 1.00 1.00 H new HETATM 0 H26 IMY A 120 8.578 -11.769 -2.700 1.00 1.00 H new HETATM 0 H25 IMY A 120 8.361 -9.348 -2.247 1.00 1.00 H new HETATM 0 H24 IMY A 120 5.519 -6.749 -2.720 1.00 1.00 H new HETATM 0 H23 IMY A 120 4.373 -5.297 -4.368 1.00 1.00 H new HETATM 0 H21 IMY A 120 6.882 -2.003 -3.218 1.00 1.00 H new HETATM 0 H20 IMY A 120 7.894 -3.395 -1.435 1.00 1.00 H new HETATM 0 H18 IMY A 120 4.873 -8.084 0.410 1.00 1.00 H new HETATM 0 H17 IMY A 120 2.419 -7.808 0.286 1.00 1.00 H new HETATM 0 H15 IMY A 120 2.826 -3.599 0.944 1.00 1.00 H new HETATM 0 H14 IMY A 120 5.292 -3.839 1.012 1.00 1.00 H new