USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 884 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 9 GLN :FLIP amide:sc= -2.88! C(o=-2.8!,f=-1.6!) USER MOD Set 1.2: B 11 THR OG1 : rot 175:sc= 1.33 USER MOD Set 2.1: A 71 ASN : amide:sc= -12! C(o=-13!,f=-17!) USER MOD Set 2.2: A 90 SER OG : rot 150:sc= -1.32 USER MOD Set 3.1: A 31 LYS NZ :NH3+ 162:sc= 0.77 (180deg=0.588) USER MOD Set 3.2: A 33 ASN :FLIP amide:sc= -2.46! F(o=-2.7,f=-1.7!) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.242 F(o=-1.2,f=-0.24) USER MOD Single : A 21 SER OG : rot -22:sc= -1.17 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 70:sc= 1.11 USER MOD Single : A 35 SER OG : rot 60:sc= -1.44! USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.716) USER MOD Single : A 38 ASN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 39 HIS : no HE2:sc= 0.162 K(o=0.16,f=-0.66) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.363 F(o=-1.1,f=-0.36) USER MOD Single : A 56 SER OG : rot -88:sc= -5.35! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.7! C(o=-2.7!,f=-2.7!) USER MOD Single : A 66 GLN : amide:sc= -6.08 K(o=-6.1,f=-12!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -133:sc= 0.474 (180deg=-0.698) USER MOD Single : A 80 ASN : amide:sc= -3.63! C(o=-3.6!,f=-10!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.615 F(o=-5.5!,f=-0.62) USER MOD Single : A 84 MET CE :methyl 175:sc= -2.95 (180deg=-2.99) USER MOD Single : A 86 THR OG1 : rot 76:sc= 0.406 USER MOD Single : A 91 MET CE :methyl 174:sc= -6.82! (180deg=-7.03!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.806 F(o=-2.2!,f=-0.81) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -170:sc= -3.6 (180deg=-4.08!) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.0757 F(o=-1.9,f=-0.076) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.24) USER MOD Single : B 7 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -6.471 -10.683 -10.192 1.00 0.00 N ATOM 2 CA GLY A 7 -7.887 -10.519 -9.920 1.00 0.00 C ATOM 3 C GLY A 7 -8.222 -9.129 -9.419 1.00 0.00 C ATOM 4 O GLY A 7 -8.843 -8.339 -10.129 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.454 -10.721 -10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.199 -11.254 -9.179 1.00 0.00 H new ATOM 8 N THR A 8 -7.805 -8.829 -8.193 1.00 0.00 N ATOM 9 CA THR A 8 -8.062 -7.523 -7.598 1.00 0.00 C ATOM 10 C THR A 8 -6.761 -6.857 -7.155 1.00 0.00 C ATOM 11 O THR A 8 -6.770 -5.960 -6.313 1.00 0.00 O ATOM 12 CB THR A 8 -9.008 -7.661 -6.404 1.00 0.00 C ATOM 13 OG1 THR A 8 -8.613 -8.738 -5.573 1.00 0.00 O ATOM 14 CG2 THR A 8 -10.448 -7.895 -6.805 1.00 0.00 C ATOM 0 H THR A 8 -7.288 -9.472 -7.593 1.00 0.00 H new ATOM 0 HA THR A 8 -8.530 -6.894 -8.355 1.00 0.00 H new ATOM 0 HB THR A 8 -8.945 -6.710 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.229 -8.809 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.065 -7.984 -5.911 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.799 -7.056 -7.406 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.519 -8.814 -7.387 1.00 0.00 H new ATOM 22 N ARG A 9 -5.645 -7.299 -7.728 1.00 0.00 N ATOM 23 CA ARG A 9 -4.341 -6.742 -7.390 1.00 0.00 C ATOM 24 C ARG A 9 -3.844 -5.822 -8.499 1.00 0.00 C ATOM 25 O ARG A 9 -3.695 -6.240 -9.647 1.00 0.00 O ATOM 26 CB ARG A 9 -3.331 -7.864 -7.151 1.00 0.00 C ATOM 27 CG ARG A 9 -3.295 -8.354 -5.714 1.00 0.00 C ATOM 28 CD ARG A 9 -1.912 -8.854 -5.329 1.00 0.00 C ATOM 29 NE ARG A 9 -1.726 -10.262 -5.667 1.00 0.00 N ATOM 30 CZ ARG A 9 -0.536 -10.853 -5.757 1.00 0.00 C ATOM 31 NH1 ARG A 9 0.574 -10.159 -5.536 1.00 0.00 N ATOM 32 NH2 ARG A 9 -0.455 -12.137 -6.071 1.00 0.00 N ATOM 0 H ARG A 9 -5.619 -8.041 -8.428 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.446 -6.158 -6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.570 -8.702 -7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.338 -7.513 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.589 -7.545 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.022 -9.156 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.156 -8.256 -5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.761 -8.715 -4.258 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.557 -10.827 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.517 -9.169 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.483 -10.616 -5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.305 -12.674 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.457 -12.589 -6.140 1.00 0.00 H new ATOM 46 N GLU A 10 -3.591 -4.566 -8.148 1.00 0.00 N ATOM 47 CA GLU A 10 -3.112 -3.586 -9.118 1.00 0.00 C ATOM 48 C GLU A 10 -2.084 -2.650 -8.490 1.00 0.00 C ATOM 49 O GLU A 10 -1.903 -2.641 -7.272 1.00 0.00 O ATOM 50 CB GLU A 10 -4.294 -2.785 -9.685 1.00 0.00 C ATOM 51 CG GLU A 10 -4.813 -1.675 -8.772 1.00 0.00 C ATOM 52 CD GLU A 10 -4.757 -2.032 -7.297 1.00 0.00 C ATOM 53 OE1 GLU A 10 -5.555 -2.888 -6.861 1.00 0.00 O ATOM 54 OE2 GLU A 10 -3.918 -1.450 -6.578 1.00 0.00 O ATOM 0 H GLU A 10 -3.709 -4.202 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.624 -4.120 -9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.993 -2.344 -10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.112 -3.473 -9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.228 -0.771 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.843 -1.443 -9.043 1.00 0.00 H new ATOM 61 N PHE A 11 -1.413 -1.863 -9.326 1.00 0.00 N ATOM 62 CA PHE A 11 -0.409 -0.923 -8.843 1.00 0.00 C ATOM 63 C PHE A 11 -0.875 0.512 -9.047 1.00 0.00 C ATOM 64 O PHE A 11 -1.612 0.809 -9.988 1.00 0.00 O ATOM 65 CB PHE A 11 0.934 -1.150 -9.542 1.00 0.00 C ATOM 66 CG PHE A 11 0.809 -1.486 -10.998 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.404 -0.526 -11.908 1.00 0.00 C ATOM 68 CD2 PHE A 11 1.098 -2.762 -11.452 1.00 0.00 C ATOM 69 CE1 PHE A 11 0.288 -0.833 -13.251 1.00 0.00 C ATOM 70 CE2 PHE A 11 0.985 -3.075 -12.794 1.00 0.00 C ATOM 71 CZ PHE A 11 0.580 -2.108 -13.695 1.00 0.00 C ATOM 0 H PHE A 11 -1.546 -1.858 -10.337 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.273 -1.096 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.544 -0.253 -9.437 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.464 -1.957 -9.037 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.176 0.473 -11.566 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.415 -3.520 -10.751 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.031 -0.076 -13.953 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.213 -4.073 -13.138 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.492 -2.349 -14.744 1.00 0.00 H new ATOM 81 N LEU A 12 -0.457 1.396 -8.149 1.00 0.00 N ATOM 82 CA LEU A 12 -0.852 2.799 -8.221 1.00 0.00 C ATOM 83 C LEU A 12 0.360 3.723 -8.134 1.00 0.00 C ATOM 84 O LEU A 12 1.100 3.705 -7.150 1.00 0.00 O ATOM 85 CB LEU A 12 -1.843 3.126 -7.099 1.00 0.00 C ATOM 86 CG LEU A 12 -2.668 1.934 -6.588 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.220 1.520 -5.194 1.00 0.00 C ATOM 88 CD2 LEU A 12 -4.154 2.266 -6.595 1.00 0.00 C ATOM 0 H LEU A 12 0.154 1.168 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.333 2.963 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.291 3.552 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.528 3.896 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.499 1.094 -7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.819 0.675 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.169 1.232 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.350 2.356 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.720 1.409 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.338 3.124 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.469 2.503 -7.611 1.00 0.00 H new ATOM 100 N THR A 13 0.551 4.537 -9.170 1.00 0.00 N ATOM 101 CA THR A 13 1.667 5.478 -9.216 1.00 0.00 C ATOM 102 C THR A 13 1.318 6.752 -8.453 1.00 0.00 C ATOM 103 O THR A 13 0.165 7.182 -8.443 1.00 0.00 O ATOM 104 CB THR A 13 2.019 5.813 -10.663 1.00 0.00 C ATOM 105 OG1 THR A 13 2.341 4.637 -11.386 1.00 0.00 O ATOM 106 CG2 THR A 13 3.188 6.762 -10.790 1.00 0.00 C ATOM 0 H THR A 13 -0.054 4.563 -9.990 1.00 0.00 H new ATOM 0 HA THR A 13 2.532 5.012 -8.744 1.00 0.00 H new ATOM 0 HB THR A 13 1.132 6.298 -11.071 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.562 4.872 -12.311 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.385 6.958 -11.844 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.953 7.699 -10.285 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.071 6.315 -10.333 1.00 0.00 H new ATOM 114 N PHE A 14 2.315 7.349 -7.804 1.00 0.00 N ATOM 115 CA PHE A 14 2.092 8.566 -7.033 1.00 0.00 C ATOM 116 C PHE A 14 3.239 9.561 -7.181 1.00 0.00 C ATOM 117 O PHE A 14 4.287 9.251 -7.745 1.00 0.00 O ATOM 118 CB PHE A 14 1.892 8.219 -5.558 1.00 0.00 C ATOM 119 CG PHE A 14 0.698 7.341 -5.308 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.583 7.803 -5.565 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.858 6.055 -4.819 1.00 0.00 C ATOM 122 CE1 PHE A 14 -1.682 6.999 -5.338 1.00 0.00 C ATOM 123 CE2 PHE A 14 -0.238 5.246 -4.590 1.00 0.00 C ATOM 124 CZ PHE A 14 -1.510 5.718 -4.850 1.00 0.00 C ATOM 0 H PHE A 14 3.278 7.012 -7.797 1.00 0.00 H new ATOM 0 HA PHE A 14 1.194 9.041 -7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.786 7.719 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.782 9.141 -4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.723 8.803 -5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.850 5.681 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.675 7.371 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.101 4.245 -4.208 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.368 5.087 -4.672 1.00 0.00 H new ATOM 134 N GLU A 15 3.020 10.760 -6.652 1.00 0.00 N ATOM 135 CA GLU A 15 4.013 11.829 -6.687 1.00 0.00 C ATOM 136 C GLU A 15 3.994 12.564 -5.353 1.00 0.00 C ATOM 137 O GLU A 15 3.043 13.285 -5.048 1.00 0.00 O ATOM 138 CB GLU A 15 3.726 12.804 -7.833 1.00 0.00 C ATOM 139 CG GLU A 15 2.943 12.191 -8.986 1.00 0.00 C ATOM 140 CD GLU A 15 1.443 12.232 -8.759 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.021 12.200 -7.583 1.00 0.00 O ATOM 142 OE2 GLU A 15 0.695 12.296 -9.755 1.00 0.00 O ATOM 0 H GLU A 15 2.150 11.019 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 15 4.999 11.396 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.169 13.655 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.672 13.190 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.182 12.723 -9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.258 11.157 -9.125 1.00 0.00 H new ATOM 149 N VAL A 16 5.021 12.347 -4.541 1.00 0.00 N ATOM 150 CA VAL A 16 5.085 12.958 -3.218 1.00 0.00 C ATOM 151 C VAL A 16 6.086 14.110 -3.140 1.00 0.00 C ATOM 152 O VAL A 16 7.289 13.909 -3.307 1.00 0.00 O ATOM 153 CB VAL A 16 5.464 11.908 -2.157 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.302 12.477 -0.759 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.629 10.648 -2.331 1.00 0.00 C ATOM 0 H VAL A 16 5.818 11.755 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 16 4.091 13.360 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 16 6.512 11.642 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.575 11.720 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.950 13.346 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.265 12.775 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.911 9.917 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.573 10.894 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.805 10.229 -3.322 1.00 0.00 H new ATOM 165 N PRO A 17 5.604 15.335 -2.849 1.00 0.00 N ATOM 166 CA PRO A 17 6.460 16.508 -2.712 1.00 0.00 C ATOM 167 C PRO A 17 6.995 16.629 -1.289 1.00 0.00 C ATOM 168 O PRO A 17 6.227 16.571 -0.329 1.00 0.00 O ATOM 169 CB PRO A 17 5.504 17.652 -3.027 1.00 0.00 C ATOM 170 CG PRO A 17 4.180 17.182 -2.518 1.00 0.00 C ATOM 171 CD PRO A 17 4.189 15.672 -2.603 1.00 0.00 C ATOM 0 HA PRO A 17 7.339 16.482 -3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.813 18.575 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.468 17.857 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.022 17.510 -1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.367 17.598 -3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.826 15.218 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.548 15.314 -3.409 1.00 0.00 H new ATOM 179 N LEU A 18 8.309 16.772 -1.147 1.00 0.00 N ATOM 180 CA LEU A 18 8.919 16.868 0.175 1.00 0.00 C ATOM 181 C LEU A 18 9.722 18.147 0.348 1.00 0.00 C ATOM 182 O LEU A 18 10.680 18.188 1.121 1.00 0.00 O ATOM 183 CB LEU A 18 9.823 15.671 0.407 1.00 0.00 C ATOM 184 CG LEU A 18 10.867 15.482 -0.681 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.248 15.308 -0.074 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.509 14.298 -1.564 1.00 0.00 C ATOM 0 H LEU A 18 8.968 16.824 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 18 8.111 16.883 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.326 15.786 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.212 14.771 0.474 1.00 0.00 H new ATOM 0 HG LEU A 18 10.882 16.377 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.981 15.174 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.503 16.193 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.253 14.432 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.268 14.178 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.462 13.393 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.540 14.472 -2.031 1.00 0.00 H new ATOM 198 N ASN A 19 9.321 19.190 -0.363 1.00 0.00 N ATOM 199 CA ASN A 19 9.994 20.488 -0.279 1.00 0.00 C ATOM 200 C ASN A 19 10.367 20.824 1.165 1.00 0.00 C ATOM 201 O ASN A 19 11.364 21.500 1.422 1.00 0.00 O ATOM 202 CB ASN A 19 9.099 21.596 -0.843 1.00 0.00 C ATOM 203 CG ASN A 19 7.618 21.270 -0.737 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.117 21.178 0.491 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 6.933 21.105 -1.746 1.00 0.00 N flip ATOM 0 H ASN A 19 8.531 19.168 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 19 10.907 20.423 -0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.300 22.525 -0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.355 21.766 -1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.358 21.185 -2.670 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.940 20.888 -1.659 1.00 0.00 H new ATOM 212 N ASP A 20 9.560 20.334 2.099 1.00 0.00 N ATOM 213 CA ASP A 20 9.791 20.561 3.520 1.00 0.00 C ATOM 214 C ASP A 20 10.146 19.253 4.208 1.00 0.00 C ATOM 215 O ASP A 20 10.917 19.228 5.167 1.00 0.00 O ATOM 216 CB ASP A 20 8.550 21.162 4.179 1.00 0.00 C ATOM 217 CG ASP A 20 8.149 22.488 3.565 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.998 23.403 3.522 1.00 0.00 O ATOM 219 OD2 ASP A 20 6.986 22.613 3.128 1.00 0.00 O ATOM 0 H ASP A 20 8.733 19.772 1.895 1.00 0.00 H new ATOM 0 HA ASP A 20 10.620 21.262 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.721 20.460 4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.740 21.301 5.243 1.00 0.00 H new ATOM 224 N SER A 21 9.572 18.166 3.705 1.00 0.00 N ATOM 225 CA SER A 21 9.819 16.846 4.258 1.00 0.00 C ATOM 226 C SER A 21 11.238 16.374 3.947 1.00 0.00 C ATOM 227 O SER A 21 11.668 15.333 4.441 1.00 0.00 O ATOM 228 CB SER A 21 8.797 15.851 3.708 1.00 0.00 C ATOM 229 OG SER A 21 9.049 14.541 4.187 1.00 0.00 O ATOM 0 H SER A 21 8.930 18.177 2.912 1.00 0.00 H new ATOM 0 HA SER A 21 9.715 16.905 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.792 16.160 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.831 15.856 2.619 1.00 0.00 H new ATOM 0 HG SER A 21 9.987 14.468 4.462 1.00 0.00 H new ATOM 235 N GLY A 22 11.965 17.144 3.131 1.00 0.00 N ATOM 236 CA GLY A 22 13.331 16.779 2.783 1.00 0.00 C ATOM 237 C GLY A 22 14.127 16.284 3.978 1.00 0.00 C ATOM 238 O GLY A 22 15.021 15.450 3.835 1.00 0.00 O ATOM 0 H GLY A 22 11.632 18.010 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.312 16.003 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.834 17.643 2.349 1.00 0.00 H new ATOM 242 N SER A 23 13.789 16.791 5.160 1.00 0.00 N ATOM 243 CA SER A 23 14.468 16.388 6.387 1.00 0.00 C ATOM 244 C SER A 23 13.872 15.090 6.924 1.00 0.00 C ATOM 245 O SER A 23 14.594 14.208 7.389 1.00 0.00 O ATOM 246 CB SER A 23 14.360 17.491 7.441 1.00 0.00 C ATOM 247 OG SER A 23 15.308 18.517 7.207 1.00 0.00 O ATOM 0 H SER A 23 13.050 17.481 5.294 1.00 0.00 H new ATOM 0 HA SER A 23 15.521 16.221 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.355 17.912 7.429 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.517 17.067 8.433 1.00 0.00 H new ATOM 0 HG SER A 23 15.216 19.210 7.894 1.00 0.00 H new ATOM 253 N ALA A 24 12.550 14.980 6.848 1.00 0.00 N ATOM 254 CA ALA A 24 11.852 13.790 7.317 1.00 0.00 C ATOM 255 C ALA A 24 11.924 12.663 6.287 1.00 0.00 C ATOM 256 O ALA A 24 11.476 11.547 6.545 1.00 0.00 O ATOM 257 CB ALA A 24 10.398 14.121 7.630 1.00 0.00 C ATOM 0 H ALA A 24 11.940 15.702 6.465 1.00 0.00 H new ATOM 0 HA ALA A 24 12.345 13.448 8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.888 13.223 7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.358 14.886 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.907 14.490 6.730 1.00 0.00 H new ATOM 263 N GLY A 25 12.482 12.964 5.115 1.00 0.00 N ATOM 264 CA GLY A 25 12.587 11.967 4.065 1.00 0.00 C ATOM 265 C GLY A 25 11.373 11.968 3.160 1.00 0.00 C ATOM 266 O GLY A 25 11.498 11.960 1.935 1.00 0.00 O ATOM 0 H GLY A 25 12.862 13.880 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.482 12.157 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.705 10.980 4.512 1.00 0.00 H new ATOM 270 N LEU A 26 10.194 11.989 3.771 1.00 0.00 N ATOM 271 CA LEU A 26 8.938 12.003 3.032 1.00 0.00 C ATOM 272 C LEU A 26 7.751 11.996 3.988 1.00 0.00 C ATOM 273 O LEU A 26 6.715 12.590 3.704 1.00 0.00 O ATOM 274 CB LEU A 26 8.854 10.814 2.073 1.00 0.00 C ATOM 275 CG LEU A 26 8.207 11.125 0.721 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.841 12.354 0.086 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.317 9.926 -0.209 1.00 0.00 C ATOM 0 H LEU A 26 10.082 11.997 4.785 1.00 0.00 H new ATOM 0 HA LEU A 26 8.905 12.920 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.860 10.433 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.290 10.015 2.555 1.00 0.00 H new ATOM 0 HG LEU A 26 7.151 11.338 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.364 12.555 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.708 13.213 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.905 12.176 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.852 10.164 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.368 9.683 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.810 9.071 0.238 1.00 0.00 H new ATOM 289 N GLY A 27 7.912 11.332 5.130 1.00 0.00 N ATOM 290 CA GLY A 27 6.844 11.288 6.112 1.00 0.00 C ATOM 291 C GLY A 27 6.087 9.974 6.126 1.00 0.00 C ATOM 292 O GLY A 27 4.858 9.967 6.096 1.00 0.00 O ATOM 0 H GLY A 27 8.759 10.826 5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.264 11.466 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.144 12.099 5.912 1.00 0.00 H new ATOM 296 N VAL A 28 6.811 8.859 6.186 1.00 0.00 N ATOM 297 CA VAL A 28 6.172 7.547 6.218 1.00 0.00 C ATOM 298 C VAL A 28 7.093 6.484 6.802 1.00 0.00 C ATOM 299 O VAL A 28 8.315 6.600 6.736 1.00 0.00 O ATOM 300 CB VAL A 28 5.736 7.084 4.813 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.728 8.044 4.217 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.942 6.932 3.897 1.00 0.00 C ATOM 0 H VAL A 28 7.830 8.837 6.213 1.00 0.00 H new ATOM 0 HA VAL A 28 5.294 7.662 6.853 1.00 0.00 H new ATOM 0 HB VAL A 28 5.258 6.109 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.436 7.696 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.848 8.092 4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.173 9.036 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.611 6.605 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.454 7.890 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.625 6.192 4.315 1.00 0.00 H new ATOM 312 N SER A 29 6.490 5.434 7.349 1.00 0.00 N ATOM 313 CA SER A 29 7.244 4.329 7.918 1.00 0.00 C ATOM 314 C SER A 29 7.035 3.084 7.066 1.00 0.00 C ATOM 315 O SER A 29 5.934 2.538 7.016 1.00 0.00 O ATOM 316 CB SER A 29 6.809 4.067 9.363 1.00 0.00 C ATOM 317 OG SER A 29 6.019 5.133 9.860 1.00 0.00 O ATOM 0 H SER A 29 5.477 5.327 7.409 1.00 0.00 H new ATOM 0 HA SER A 29 8.303 4.586 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.243 3.137 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.689 3.938 9.993 1.00 0.00 H new ATOM 0 HG SER A 29 5.148 5.132 9.411 1.00 0.00 H new ATOM 323 N VAL A 30 8.086 2.655 6.375 1.00 0.00 N ATOM 324 CA VAL A 30 7.998 1.487 5.506 1.00 0.00 C ATOM 325 C VAL A 30 8.715 0.283 6.101 1.00 0.00 C ATOM 326 O VAL A 30 9.779 0.412 6.706 1.00 0.00 O ATOM 327 CB VAL A 30 8.586 1.775 4.111 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.579 2.520 3.249 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.886 2.560 4.224 1.00 0.00 C ATOM 0 H VAL A 30 9.005 3.097 6.399 1.00 0.00 H new ATOM 0 HA VAL A 30 6.937 1.258 5.411 1.00 0.00 H new ATOM 0 HB VAL A 30 8.807 0.822 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.013 2.714 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.680 1.915 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.322 3.466 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.283 2.752 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.696 3.508 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.611 1.983 4.798 1.00 0.00 H new ATOM 339 N LYS A 31 8.123 -0.891 5.911 1.00 0.00 N ATOM 340 CA LYS A 31 8.700 -2.132 6.413 1.00 0.00 C ATOM 341 C LYS A 31 8.398 -3.278 5.455 1.00 0.00 C ATOM 342 O LYS A 31 7.251 -3.478 5.054 1.00 0.00 O ATOM 343 CB LYS A 31 8.151 -2.452 7.804 1.00 0.00 C ATOM 344 CG LYS A 31 6.643 -2.641 7.834 1.00 0.00 C ATOM 345 CD LYS A 31 6.267 -4.107 7.983 1.00 0.00 C ATOM 346 CE LYS A 31 4.821 -4.351 7.586 1.00 0.00 C ATOM 347 NZ LYS A 31 4.140 -5.295 8.516 1.00 0.00 N ATOM 0 H LYS A 31 7.241 -1.009 5.412 1.00 0.00 H new ATOM 0 HA LYS A 31 9.780 -2.007 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.630 -3.358 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.422 -1.646 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.220 -2.070 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.207 -2.244 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.924 -4.718 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.420 -4.420 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.283 -3.403 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.786 -4.751 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.109 -5.205 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.428 -6.269 8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.407 -5.070 9.496 1.00 0.00 H new ATOM 361 N GLY A 32 9.432 -4.024 5.084 1.00 0.00 N ATOM 362 CA GLY A 32 9.252 -5.132 4.166 1.00 0.00 C ATOM 363 C GLY A 32 8.980 -6.445 4.869 1.00 0.00 C ATOM 364 O GLY A 32 9.314 -6.613 6.042 1.00 0.00 O ATOM 0 H GLY A 32 10.391 -3.881 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.424 -4.908 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.145 -5.235 3.550 1.00 0.00 H new ATOM 368 N ASN A 33 8.373 -7.379 4.145 1.00 0.00 N ATOM 369 CA ASN A 33 8.052 -8.691 4.699 1.00 0.00 C ATOM 370 C ASN A 33 8.856 -9.785 4.008 1.00 0.00 C ATOM 371 O ASN A 33 9.665 -9.511 3.123 1.00 0.00 O ATOM 372 CB ASN A 33 6.556 -8.980 4.556 1.00 0.00 C ATOM 373 CG ASN A 33 5.738 -8.378 5.681 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.895 -7.076 5.897 1.00 0.00 O flip ATOM 375 ND2 ASN A 33 4.970 -9.073 6.347 1.00 0.00 N flip ATOM 0 H ASN A 33 8.093 -7.253 3.172 1.00 0.00 H new ATOM 0 HA ASN A 33 8.315 -8.682 5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.203 -8.586 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.398 -10.058 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.880 -10.069 6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.424 -8.652 7.099 1.00 0.00 H new ATOM 382 N ARG A 34 8.622 -11.026 4.419 1.00 0.00 N ATOM 383 CA ARG A 34 9.320 -12.167 3.841 1.00 0.00 C ATOM 384 C ARG A 34 8.346 -13.309 3.570 1.00 0.00 C ATOM 385 O ARG A 34 7.319 -13.433 4.237 1.00 0.00 O ATOM 386 CB ARG A 34 10.433 -12.641 4.777 1.00 0.00 C ATOM 387 CG ARG A 34 11.777 -11.989 4.503 1.00 0.00 C ATOM 388 CD ARG A 34 12.846 -12.492 5.459 1.00 0.00 C ATOM 389 NE ARG A 34 14.122 -11.807 5.266 1.00 0.00 N ATOM 390 CZ ARG A 34 15.099 -11.792 6.171 1.00 0.00 C ATOM 391 NH1 ARG A 34 14.949 -12.419 7.331 1.00 0.00 N ATOM 392 NH2 ARG A 34 16.229 -11.147 5.913 1.00 0.00 N ATOM 0 H ARG A 34 7.954 -11.267 5.151 1.00 0.00 H new ATOM 0 HA ARG A 34 9.764 -11.854 2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.142 -12.435 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.538 -13.722 4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.080 -12.195 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.683 -10.907 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.510 -12.349 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.985 -13.564 5.316 1.00 0.00 H new ATOM 0 HE ARG A 34 14.273 -11.312 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.082 -12.916 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.701 -12.404 8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.349 -10.664 5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.978 -11.134 6.605 1.00 0.00 H new ATOM 406 N SER A 35 8.674 -14.139 2.586 1.00 0.00 N ATOM 407 CA SER A 35 7.825 -15.271 2.227 1.00 0.00 C ATOM 408 C SER A 35 7.541 -16.150 3.442 1.00 0.00 C ATOM 409 O SER A 35 8.398 -16.324 4.309 1.00 0.00 O ATOM 410 CB SER A 35 8.486 -16.101 1.125 1.00 0.00 C ATOM 411 OG SER A 35 8.737 -15.312 -0.026 1.00 0.00 O ATOM 0 H SER A 35 9.520 -14.050 2.023 1.00 0.00 H new ATOM 0 HA SER A 35 6.877 -14.878 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.422 -16.521 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.842 -16.940 0.861 1.00 0.00 H new ATOM 0 HG SER A 35 9.336 -14.573 0.208 1.00 0.00 H new ATOM 417 N LYS A 36 6.333 -16.700 3.499 1.00 0.00 N ATOM 418 CA LYS A 36 5.935 -17.559 4.609 1.00 0.00 C ATOM 419 C LYS A 36 6.754 -18.845 4.625 1.00 0.00 C ATOM 420 O LYS A 36 7.049 -19.391 5.687 1.00 0.00 O ATOM 421 CB LYS A 36 4.445 -17.892 4.517 1.00 0.00 C ATOM 422 CG LYS A 36 4.003 -18.327 3.129 1.00 0.00 C ATOM 423 CD LYS A 36 3.284 -17.206 2.395 1.00 0.00 C ATOM 424 CE LYS A 36 3.468 -17.313 0.889 1.00 0.00 C ATOM 425 NZ LYS A 36 4.215 -16.149 0.338 1.00 0.00 N ATOM 0 H LYS A 36 5.612 -16.567 2.790 1.00 0.00 H new ATOM 0 HA LYS A 36 6.123 -17.018 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.214 -18.685 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.867 -17.018 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.872 -18.642 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.344 -19.191 3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.221 -17.236 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.661 -16.244 2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.003 -18.233 0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.492 -17.379 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.995 -16.042 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.936 -15.285 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.237 -16.305 0.455 1.00 0.00 H new ATOM 439 N GLU A 37 7.119 -19.324 3.440 1.00 0.00 N ATOM 440 CA GLU A 37 7.905 -20.546 3.319 1.00 0.00 C ATOM 441 C GLU A 37 9.392 -20.257 3.503 1.00 0.00 C ATOM 442 O GLU A 37 9.995 -20.668 4.495 1.00 0.00 O ATOM 443 CB GLU A 37 7.661 -21.200 1.957 1.00 0.00 C ATOM 444 CG GLU A 37 7.374 -22.691 2.041 1.00 0.00 C ATOM 445 CD GLU A 37 6.213 -23.112 1.161 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.247 -22.812 -0.051 1.00 0.00 O ATOM 447 OE2 GLU A 37 5.271 -23.744 1.684 1.00 0.00 O ATOM 0 H GLU A 37 6.883 -18.884 2.550 1.00 0.00 H new ATOM 0 HA GLU A 37 7.589 -21.233 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.822 -20.704 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.535 -21.042 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.266 -23.246 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.156 -22.958 3.075 1.00 0.00 H new ATOM 454 N ASN A 38 9.976 -19.549 2.543 1.00 0.00 N ATOM 455 CA ASN A 38 11.392 -19.205 2.600 1.00 0.00 C ATOM 456 C ASN A 38 11.591 -17.825 3.219 1.00 0.00 C ATOM 457 O ASN A 38 10.642 -17.210 3.705 1.00 0.00 O ATOM 458 CB ASN A 38 12.004 -19.246 1.198 1.00 0.00 C ATOM 459 CG ASN A 38 11.652 -20.517 0.451 1.00 0.00 C ATOM 460 OD1 ASN A 38 12.385 -21.504 0.503 1.00 0.00 O ATOM 461 ND2 ASN A 38 10.525 -20.498 -0.251 1.00 0.00 N ATOM 0 H ASN A 38 9.491 -19.202 1.716 1.00 0.00 H new ATOM 0 HA ASN A 38 11.896 -19.939 3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.657 -18.385 0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.088 -19.161 1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.237 -21.324 -0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.947 -19.657 -0.266 1.00 0.00 H new ATOM 468 N HIS A 39 12.829 -17.346 3.200 1.00 0.00 N ATOM 469 CA HIS A 39 13.150 -16.039 3.762 1.00 0.00 C ATOM 470 C HIS A 39 13.295 -14.991 2.663 1.00 0.00 C ATOM 471 O HIS A 39 14.067 -14.041 2.795 1.00 0.00 O ATOM 472 CB HIS A 39 14.439 -16.116 4.583 1.00 0.00 C ATOM 473 CG HIS A 39 14.262 -16.789 5.908 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.342 -16.374 6.847 1.00 0.00 N ATOM 475 CD2 HIS A 39 14.895 -17.857 6.452 1.00 0.00 C ATOM 476 CE1 HIS A 39 13.415 -17.155 7.910 1.00 0.00 C ATOM 477 NE2 HIS A 39 14.349 -18.063 7.695 1.00 0.00 N ATOM 0 H HIS A 39 13.627 -17.842 2.802 1.00 0.00 H new ATOM 0 HA HIS A 39 12.329 -15.742 4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.194 -16.653 4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.819 -15.107 4.744 1.00 0.00 H new ATOM 0 HD1 HIS A 39 12.704 -15.586 6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.682 -18.438 5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.813 -17.066 8.802 1.00 0.00 H new ATOM 486 N ALA A 40 12.546 -15.170 1.579 1.00 0.00 N ATOM 487 CA ALA A 40 12.592 -14.240 0.458 1.00 0.00 C ATOM 488 C ALA A 40 11.696 -13.030 0.715 1.00 0.00 C ATOM 489 O ALA A 40 10.522 -13.177 1.050 1.00 0.00 O ATOM 490 CB ALA A 40 12.180 -14.942 -0.827 1.00 0.00 C ATOM 0 H ALA A 40 11.901 -15.950 1.454 1.00 0.00 H new ATOM 0 HA ALA A 40 13.617 -13.885 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.219 -14.236 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.861 -15.770 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.164 -15.324 -0.723 1.00 0.00 H new ATOM 496 N ASP A 41 12.260 -11.838 0.557 1.00 0.00 N ATOM 497 CA ASP A 41 11.514 -10.604 0.774 1.00 0.00 C ATOM 498 C ASP A 41 10.275 -10.546 -0.116 1.00 0.00 C ATOM 499 O ASP A 41 10.268 -11.087 -1.222 1.00 0.00 O ATOM 500 CB ASP A 41 12.406 -9.391 0.502 1.00 0.00 C ATOM 501 CG ASP A 41 13.155 -9.506 -0.811 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.173 -10.228 -0.852 1.00 0.00 O ATOM 503 OD2 ASP A 41 12.724 -8.875 -1.800 1.00 0.00 O ATOM 0 H ASP A 41 13.232 -11.700 0.279 1.00 0.00 H new ATOM 0 HA ASP A 41 11.190 -10.586 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.794 -8.489 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.122 -9.280 1.317 1.00 0.00 H new ATOM 508 N LEU A 42 9.230 -9.887 0.375 1.00 0.00 N ATOM 509 CA LEU A 42 7.985 -9.758 -0.375 1.00 0.00 C ATOM 510 C LEU A 42 7.730 -8.305 -0.785 1.00 0.00 C ATOM 511 O LEU A 42 6.732 -8.006 -1.440 1.00 0.00 O ATOM 512 CB LEU A 42 6.810 -10.275 0.457 1.00 0.00 C ATOM 513 CG LEU A 42 6.983 -11.688 1.021 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.700 -12.152 1.695 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.389 -12.657 -0.079 1.00 0.00 C ATOM 0 H LEU A 42 9.220 -9.434 1.289 1.00 0.00 H new ATOM 0 HA LEU A 42 8.078 -10.357 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.643 -9.588 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.912 -10.255 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 42 7.777 -11.666 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.840 -13.158 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.451 -11.473 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.888 -12.158 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.507 -13.656 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.618 -12.676 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.333 -12.334 -0.518 1.00 0.00 H new ATOM 527 N GLY A 43 8.633 -7.407 -0.395 1.00 0.00 N ATOM 528 CA GLY A 43 8.479 -6.003 -0.733 1.00 0.00 C ATOM 529 C GLY A 43 8.241 -5.140 0.489 1.00 0.00 C ATOM 530 O GLY A 43 8.005 -5.656 1.582 1.00 0.00 O ATOM 0 H GLY A 43 9.467 -7.628 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.373 -5.656 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.645 -5.888 -1.425 1.00 0.00 H new ATOM 534 N ILE A 44 8.297 -3.823 0.303 1.00 0.00 N ATOM 535 CA ILE A 44 8.080 -2.884 1.401 1.00 0.00 C ATOM 536 C ILE A 44 6.687 -2.275 1.329 1.00 0.00 C ATOM 537 O ILE A 44 6.261 -1.803 0.275 1.00 0.00 O ATOM 538 CB ILE A 44 9.120 -1.745 1.404 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.395 -1.262 -0.023 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.404 -2.198 2.084 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.526 -1.998 -0.710 1.00 0.00 C ATOM 0 H ILE A 44 8.491 -3.382 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 44 8.187 -3.457 2.322 1.00 0.00 H new ATOM 0 HB ILE A 44 8.714 -0.907 1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.487 -1.375 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.629 -0.198 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.127 -1.382 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.189 -2.484 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.817 -3.053 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.661 -1.600 -1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.446 -1.864 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.287 -3.060 -0.769 1.00 0.00 H new ATOM 553 N PHE A 45 5.985 -2.288 2.455 1.00 0.00 N ATOM 554 CA PHE A 45 4.635 -1.738 2.522 1.00 0.00 C ATOM 555 C PHE A 45 4.563 -0.599 3.529 1.00 0.00 C ATOM 556 O PHE A 45 5.233 -0.627 4.564 1.00 0.00 O ATOM 557 CB PHE A 45 3.626 -2.831 2.895 1.00 0.00 C ATOM 558 CG PHE A 45 4.053 -4.214 2.485 1.00 0.00 C ATOM 559 CD1 PHE A 45 5.053 -4.874 3.178 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.455 -4.849 1.408 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.453 -6.142 2.805 1.00 0.00 C ATOM 562 CE2 PHE A 45 3.851 -6.119 1.030 1.00 0.00 C ATOM 563 CZ PHE A 45 4.851 -6.766 1.731 1.00 0.00 C ATOM 0 H PHE A 45 6.327 -2.673 3.335 1.00 0.00 H new ATOM 0 HA PHE A 45 4.383 -1.346 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.468 -2.814 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.668 -2.603 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.526 -4.392 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.672 -4.347 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.236 -6.645 3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.380 -6.604 0.188 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.161 -7.758 1.439 1.00 0.00 H new ATOM 573 N VAL A 46 3.743 0.399 3.220 1.00 0.00 N ATOM 574 CA VAL A 46 3.575 1.548 4.096 1.00 0.00 C ATOM 575 C VAL A 46 3.038 1.114 5.454 1.00 0.00 C ATOM 576 O VAL A 46 1.857 0.799 5.592 1.00 0.00 O ATOM 577 CB VAL A 46 2.617 2.584 3.476 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.548 3.836 4.337 1.00 0.00 C ATOM 579 CG2 VAL A 46 3.048 2.929 2.057 1.00 0.00 C ATOM 0 H VAL A 46 3.184 0.434 2.367 1.00 0.00 H new ATOM 0 HA VAL A 46 4.555 2.008 4.225 1.00 0.00 H new ATOM 0 HB VAL A 46 1.620 2.146 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.866 4.554 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.187 3.574 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.541 4.278 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.360 3.662 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.055 3.345 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.038 2.028 1.444 1.00 0.00 H new ATOM 589 N LYS A 47 3.915 1.098 6.452 1.00 0.00 N ATOM 590 CA LYS A 47 3.531 0.700 7.800 1.00 0.00 C ATOM 591 C LYS A 47 2.703 1.792 8.465 1.00 0.00 C ATOM 592 O LYS A 47 1.703 1.512 9.125 1.00 0.00 O ATOM 593 CB LYS A 47 4.775 0.401 8.641 1.00 0.00 C ATOM 594 CG LYS A 47 4.460 0.006 10.073 1.00 0.00 C ATOM 595 CD LYS A 47 3.992 -1.437 10.161 1.00 0.00 C ATOM 596 CE LYS A 47 3.006 -1.635 11.301 1.00 0.00 C ATOM 597 NZ LYS A 47 1.864 -2.505 10.903 1.00 0.00 N ATOM 0 H LYS A 47 4.897 1.356 6.352 1.00 0.00 H new ATOM 0 HA LYS A 47 2.926 -0.204 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.339 -0.402 8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.418 1.281 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.347 0.141 10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.689 0.665 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.525 -1.727 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.852 -2.091 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.521 -2.079 12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.628 -0.666 11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.215 -2.615 11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.357 -2.069 10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.222 -3.439 10.617 1.00 0.00 H new ATOM 611 N SER A 48 3.126 3.036 8.280 1.00 0.00 N ATOM 612 CA SER A 48 2.421 4.170 8.861 1.00 0.00 C ATOM 613 C SER A 48 2.891 5.483 8.245 1.00 0.00 C ATOM 614 O SER A 48 4.068 5.837 8.333 1.00 0.00 O ATOM 615 CB SER A 48 2.622 4.203 10.377 1.00 0.00 C ATOM 616 OG SER A 48 1.432 4.591 11.041 1.00 0.00 O ATOM 0 H SER A 48 3.951 3.284 7.734 1.00 0.00 H new ATOM 0 HA SER A 48 1.359 4.050 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.933 3.219 10.727 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.424 4.898 10.626 1.00 0.00 H new ATOM 0 HG SER A 48 1.586 4.603 12.009 1.00 0.00 H new ATOM 622 N ILE A 49 1.963 6.200 7.624 1.00 0.00 N ATOM 623 CA ILE A 49 2.276 7.475 6.993 1.00 0.00 C ATOM 624 C ILE A 49 2.215 8.614 8.003 1.00 0.00 C ATOM 625 O ILE A 49 1.163 8.895 8.576 1.00 0.00 O ATOM 626 CB ILE A 49 1.311 7.776 5.829 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.352 6.643 4.809 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.650 9.106 5.164 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.353 6.807 3.685 1.00 0.00 C ATOM 0 H ILE A 49 0.986 5.919 7.544 1.00 0.00 H new ATOM 0 HA ILE A 49 3.290 7.397 6.600 1.00 0.00 H new ATOM 0 HB ILE A 49 0.301 7.852 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.355 6.581 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.162 5.699 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.953 9.292 4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.573 9.909 5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.667 9.068 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.438 5.966 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.656 6.839 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.556 7.735 3.150 1.00 0.00 H new ATOM 641 N ILE A 50 3.350 9.268 8.209 1.00 0.00 N ATOM 642 CA ILE A 50 3.432 10.385 9.144 1.00 0.00 C ATOM 643 C ILE A 50 2.406 11.457 8.786 1.00 0.00 C ATOM 644 O ILE A 50 2.573 12.178 7.805 1.00 0.00 O ATOM 645 CB ILE A 50 4.852 11.004 9.158 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.814 10.108 9.940 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.839 12.407 9.760 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.903 9.488 9.092 1.00 0.00 C ATOM 0 H ILE A 50 4.229 9.045 7.741 1.00 0.00 H new ATOM 0 HA ILE A 50 3.216 9.998 10.140 1.00 0.00 H new ATOM 0 HB ILE A 50 5.193 11.080 8.126 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.276 10.694 10.735 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.244 9.313 10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.850 12.814 9.756 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.186 13.050 9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.471 12.360 10.785 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.543 8.867 9.719 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.452 8.873 8.313 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.499 10.276 8.632 1.00 0.00 H new ATOM 660 N ASN A 51 1.349 11.551 9.585 1.00 0.00 N ATOM 661 CA ASN A 51 0.298 12.534 9.349 1.00 0.00 C ATOM 662 C ASN A 51 0.840 13.952 9.504 1.00 0.00 C ATOM 663 O ASN A 51 0.572 14.628 10.496 1.00 0.00 O ATOM 664 CB ASN A 51 -0.871 12.312 10.310 1.00 0.00 C ATOM 665 CG ASN A 51 -0.414 12.140 11.744 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.220 10.893 12.156 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -0.238 13.115 12.474 1.00 0.00 N flip ATOM 0 H ASN A 51 1.197 10.959 10.401 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.059 12.408 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.555 13.159 10.248 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.429 11.428 10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.399 14.056 12.116 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.069 12.982 13.438 1.00 0.00 H new ATOM 674 N GLY A 52 1.609 14.388 8.513 1.00 0.00 N ATOM 675 CA GLY A 52 2.187 15.716 8.547 1.00 0.00 C ATOM 676 C GLY A 52 3.338 15.868 7.573 1.00 0.00 C ATOM 677 O GLY A 52 3.627 16.974 7.114 1.00 0.00 O ATOM 0 H GLY A 52 1.843 13.842 7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.417 16.451 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.537 15.931 9.556 1.00 0.00 H new ATOM 681 N GLY A 53 4.002 14.757 7.257 1.00 0.00 N ATOM 682 CA GLY A 53 5.119 14.804 6.335 1.00 0.00 C ATOM 683 C GLY A 53 4.690 15.062 4.902 1.00 0.00 C ATOM 684 O GLY A 53 3.573 15.509 4.645 1.00 0.00 O ATOM 0 H GLY A 53 3.785 13.830 7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.810 15.586 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.663 13.861 6.382 1.00 0.00 H new ATOM 688 N ALA A 54 5.594 14.783 3.969 1.00 0.00 N ATOM 689 CA ALA A 54 5.334 14.988 2.549 1.00 0.00 C ATOM 690 C ALA A 54 4.337 13.978 1.991 1.00 0.00 C ATOM 691 O ALA A 54 3.463 14.328 1.199 1.00 0.00 O ATOM 692 CB ALA A 54 6.637 14.913 1.774 1.00 0.00 C ATOM 0 H ALA A 54 6.521 14.411 4.174 1.00 0.00 H new ATOM 0 HA ALA A 54 4.890 15.977 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.439 15.067 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.318 15.685 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.091 13.933 1.920 1.00 0.00 H new ATOM 698 N ALA A 55 4.480 12.725 2.399 1.00 0.00 N ATOM 699 CA ALA A 55 3.595 11.666 1.926 1.00 0.00 C ATOM 700 C ALA A 55 2.169 11.886 2.399 1.00 0.00 C ATOM 701 O ALA A 55 1.217 11.727 1.635 1.00 0.00 O ATOM 702 CB ALA A 55 4.100 10.310 2.385 1.00 0.00 C ATOM 0 H ALA A 55 5.198 12.416 3.055 1.00 0.00 H new ATOM 0 HA ALA A 55 3.595 11.692 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.429 9.531 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.100 10.140 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.134 10.284 3.474 1.00 0.00 H new ATOM 708 N SER A 56 2.028 12.260 3.663 1.00 0.00 N ATOM 709 CA SER A 56 0.714 12.511 4.233 1.00 0.00 C ATOM 710 C SER A 56 0.098 13.744 3.590 1.00 0.00 C ATOM 711 O SER A 56 -1.109 13.808 3.358 1.00 0.00 O ATOM 712 CB SER A 56 0.820 12.702 5.743 1.00 0.00 C ATOM 713 OG SER A 56 0.626 11.478 6.428 1.00 0.00 O ATOM 0 H SER A 56 2.805 12.396 4.310 1.00 0.00 H new ATOM 0 HA SER A 56 0.074 11.651 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.799 13.111 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.078 13.429 6.073 1.00 0.00 H new ATOM 0 HG SER A 56 -0.330 11.348 6.602 1.00 0.00 H new ATOM 719 N LYS A 57 0.950 14.720 3.295 1.00 0.00 N ATOM 720 CA LYS A 57 0.519 15.957 2.666 1.00 0.00 C ATOM 721 C LYS A 57 0.078 15.703 1.232 1.00 0.00 C ATOM 722 O LYS A 57 -0.842 16.346 0.725 1.00 0.00 O ATOM 723 CB LYS A 57 1.645 16.969 2.697 1.00 0.00 C ATOM 724 CG LYS A 57 1.766 17.652 4.042 1.00 0.00 C ATOM 725 CD LYS A 57 2.979 18.543 4.086 1.00 0.00 C ATOM 726 CE LYS A 57 2.723 19.842 3.348 1.00 0.00 C ATOM 727 NZ LYS A 57 3.859 20.795 3.486 1.00 0.00 N ATOM 0 H LYS A 57 1.951 14.674 3.485 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.332 16.354 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.585 16.471 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.477 17.720 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.870 18.241 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.832 16.902 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.242 18.755 5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.830 18.028 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.552 19.632 2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.813 20.304 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.643 21.670 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.006 21.016 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.722 20.365 3.096 1.00 0.00 H new ATOM 741 N ASP A 58 0.743 14.751 0.586 1.00 0.00 N ATOM 742 CA ASP A 58 0.428 14.393 -0.791 1.00 0.00 C ATOM 743 C ASP A 58 -1.013 13.907 -0.907 1.00 0.00 C ATOM 744 O ASP A 58 -1.631 14.015 -1.967 1.00 0.00 O ATOM 745 CB ASP A 58 1.385 13.309 -1.287 1.00 0.00 C ATOM 746 CG ASP A 58 1.497 13.287 -2.799 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.538 14.378 -3.406 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.542 12.180 -3.374 1.00 0.00 O ATOM 0 H ASP A 58 1.506 14.212 0.996 1.00 0.00 H new ATOM 0 HA ASP A 58 0.545 15.282 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.372 13.473 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.041 12.336 -0.936 1.00 0.00 H new ATOM 753 N GLY A 59 -1.541 13.367 0.188 1.00 0.00 N ATOM 754 CA GLY A 59 -2.902 12.868 0.187 1.00 0.00 C ATOM 755 C GLY A 59 -3.120 11.789 -0.855 1.00 0.00 C ATOM 756 O GLY A 59 -4.236 11.602 -1.340 1.00 0.00 O ATOM 0 H GLY A 59 -1.049 13.267 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.141 12.471 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.589 13.694 0.001 1.00 0.00 H new ATOM 760 N ARG A 60 -2.051 11.080 -1.201 1.00 0.00 N ATOM 761 CA ARG A 60 -2.126 10.017 -2.196 1.00 0.00 C ATOM 762 C ARG A 60 -1.679 8.683 -1.609 1.00 0.00 C ATOM 763 O ARG A 60 -2.117 7.624 -2.055 1.00 0.00 O ATOM 764 CB ARG A 60 -1.257 10.366 -3.403 1.00 0.00 C ATOM 765 CG ARG A 60 -2.037 10.955 -4.564 1.00 0.00 C ATOM 766 CD ARG A 60 -1.150 11.820 -5.441 1.00 0.00 C ATOM 767 NE ARG A 60 -0.869 13.114 -4.824 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.564 14.215 -5.510 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.487 14.182 -6.835 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.328 15.350 -4.868 1.00 0.00 N ATOM 0 H ARG A 60 -1.121 11.223 -0.806 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.165 9.923 -2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.490 11.076 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.742 9.467 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.469 10.151 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.867 11.550 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.212 11.299 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.634 11.975 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.909 13.179 -3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.662 13.310 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.253 15.029 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.380 15.380 -3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.094 16.193 -5.392 1.00 0.00 H new ATOM 784 N LEU A 61 -0.796 8.743 -0.620 1.00 0.00 N ATOM 785 CA LEU A 61 -0.278 7.538 0.019 1.00 0.00 C ATOM 786 C LEU A 61 -1.298 6.922 0.970 1.00 0.00 C ATOM 787 O LEU A 61 -2.132 7.619 1.547 1.00 0.00 O ATOM 788 CB LEU A 61 1.012 7.850 0.775 1.00 0.00 C ATOM 789 CG LEU A 61 2.248 8.002 -0.104 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.468 9.462 -0.472 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.474 7.424 0.589 1.00 0.00 C ATOM 0 H LEU A 61 -0.423 9.614 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.070 6.814 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.871 8.771 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.194 7.055 1.499 1.00 0.00 H new ATOM 0 HG LEU A 61 2.086 7.442 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.355 9.549 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.600 9.835 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.607 10.049 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.346 7.542 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.643 7.950 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.313 6.365 0.790 1.00 0.00 H new ATOM 803 N ARG A 62 -1.212 5.604 1.128 1.00 0.00 N ATOM 804 CA ARG A 62 -2.111 4.869 2.008 1.00 0.00 C ATOM 805 C ARG A 62 -1.380 3.689 2.640 1.00 0.00 C ATOM 806 O ARG A 62 -0.709 2.922 1.950 1.00 0.00 O ATOM 807 CB ARG A 62 -3.330 4.366 1.233 1.00 0.00 C ATOM 808 CG ARG A 62 -4.337 5.455 0.905 1.00 0.00 C ATOM 809 CD ARG A 62 -4.149 5.985 -0.508 1.00 0.00 C ATOM 810 NE ARG A 62 -4.071 4.908 -1.495 1.00 0.00 N ATOM 811 CZ ARG A 62 -2.947 4.516 -2.092 1.00 0.00 C ATOM 812 NH1 ARG A 62 -1.789 5.096 -1.807 1.00 0.00 N ATOM 813 NH2 ARG A 62 -2.981 3.533 -2.977 1.00 0.00 N ATOM 0 H ARG A 62 -0.523 5.021 0.653 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.449 5.544 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.994 3.903 0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.825 3.589 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.348 5.062 1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.234 6.273 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.978 6.647 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.239 6.583 -0.552 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.935 4.425 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.752 5.852 -1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.935 4.786 -2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.866 3.078 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.122 3.230 -3.436 1.00 0.00 H new ATOM 827 N VAL A 63 -1.510 3.551 3.953 1.00 0.00 N ATOM 828 CA VAL A 63 -0.856 2.464 4.671 1.00 0.00 C ATOM 829 C VAL A 63 -1.282 1.105 4.119 1.00 0.00 C ATOM 830 O VAL A 63 -2.443 0.910 3.764 1.00 0.00 O ATOM 831 CB VAL A 63 -1.160 2.526 6.183 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.412 1.433 6.933 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.801 3.896 6.739 1.00 0.00 C ATOM 0 H VAL A 63 -2.061 4.176 4.542 1.00 0.00 H new ATOM 0 HA VAL A 63 0.217 2.585 4.525 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.228 2.362 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.643 1.498 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.717 0.458 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.661 1.560 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.021 3.925 7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.261 4.085 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.385 4.661 6.228 1.00 0.00 H new ATOM 843 N ASN A 64 -0.324 0.176 4.053 1.00 0.00 N ATOM 844 CA ASN A 64 -0.563 -1.182 3.549 1.00 0.00 C ATOM 845 C ASN A 64 -0.330 -1.271 2.042 1.00 0.00 C ATOM 846 O ASN A 64 -0.766 -2.223 1.395 1.00 0.00 O ATOM 847 CB ASN A 64 -1.978 -1.670 3.886 1.00 0.00 C ATOM 848 CG ASN A 64 -2.369 -1.377 5.322 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.664 -1.751 6.259 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.500 -0.703 5.501 1.00 0.00 N ATOM 0 H ASN A 64 0.638 0.343 4.347 1.00 0.00 H new ATOM 0 HA ASN A 64 0.155 -1.831 4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.692 -1.194 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.040 -2.744 3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.815 -0.476 6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.054 -0.412 4.695 1.00 0.00 H new ATOM 857 N ASP A 65 0.370 -0.284 1.488 1.00 0.00 N ATOM 858 CA ASP A 65 0.667 -0.270 0.060 1.00 0.00 C ATOM 859 C ASP A 65 2.114 -0.683 -0.184 1.00 0.00 C ATOM 860 O ASP A 65 3.038 -0.078 0.358 1.00 0.00 O ATOM 861 CB ASP A 65 0.418 1.122 -0.522 1.00 0.00 C ATOM 862 CG ASP A 65 -1.047 1.508 -0.483 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.803 0.893 0.300 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.438 2.425 -1.233 1.00 0.00 O ATOM 0 H ASP A 65 0.741 0.513 2.005 1.00 0.00 H new ATOM 0 HA ASP A 65 0.008 -0.982 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.000 1.856 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.772 1.151 -1.553 1.00 0.00 H new ATOM 869 N GLN A 66 2.308 -1.721 -0.993 1.00 0.00 N ATOM 870 CA GLN A 66 3.648 -2.208 -1.290 1.00 0.00 C ATOM 871 C GLN A 66 4.302 -1.364 -2.383 1.00 0.00 C ATOM 872 O GLN A 66 3.664 -1.015 -3.376 1.00 0.00 O ATOM 873 CB GLN A 66 3.604 -3.697 -1.676 1.00 0.00 C ATOM 874 CG GLN A 66 3.761 -3.979 -3.164 1.00 0.00 C ATOM 875 CD GLN A 66 5.212 -4.103 -3.587 1.00 0.00 C ATOM 876 OE1 GLN A 66 5.655 -3.442 -4.524 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.961 -4.957 -2.896 1.00 0.00 N ATOM 0 H GLN A 66 1.557 -2.237 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 66 4.260 -2.113 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.393 -4.221 -1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.656 -4.117 -1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.235 -4.901 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.288 -3.179 -3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.552 -5.486 -2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.944 -5.083 -3.137 1.00 0.00 H new ATOM 886 N LEU A 67 5.573 -1.027 -2.185 1.00 0.00 N ATOM 887 CA LEU A 67 6.308 -0.212 -3.147 1.00 0.00 C ATOM 888 C LEU A 67 6.957 -1.070 -4.229 1.00 0.00 C ATOM 889 O LEU A 67 7.631 -2.056 -3.934 1.00 0.00 O ATOM 890 CB LEU A 67 7.383 0.609 -2.432 1.00 0.00 C ATOM 891 CG LEU A 67 6.886 1.454 -1.257 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.008 1.679 -0.256 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.336 2.782 -1.753 1.00 0.00 C ATOM 0 H LEU A 67 6.115 -1.306 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 67 5.593 0.457 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.154 -0.070 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.856 1.269 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 67 6.081 0.915 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.640 2.282 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.358 0.718 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.832 2.199 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.987 3.371 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.121 3.329 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.505 2.600 -2.435 1.00 0.00 H new ATOM 905 N ILE A 68 6.758 -0.676 -5.483 1.00 0.00 N ATOM 906 CA ILE A 68 7.331 -1.395 -6.613 1.00 0.00 C ATOM 907 C ILE A 68 8.418 -0.562 -7.284 1.00 0.00 C ATOM 908 O ILE A 68 9.405 -1.098 -7.786 1.00 0.00 O ATOM 909 CB ILE A 68 6.263 -1.751 -7.664 1.00 0.00 C ATOM 910 CG1 ILE A 68 5.064 -2.428 -7.001 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.855 -2.650 -8.740 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.847 -2.508 -7.897 1.00 0.00 C ATOM 0 H ILE A 68 6.203 0.140 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 68 7.757 -2.317 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 68 5.921 -0.829 -8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.348 -3.435 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.803 -1.882 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.087 -2.892 -9.475 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.679 -2.134 -9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.224 -3.569 -8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.034 -3.000 -7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.538 -1.502 -8.182 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.091 -3.080 -8.792 1.00 0.00 H new ATOM 924 N ALA A 69 8.225 0.752 -7.287 1.00 0.00 N ATOM 925 CA ALA A 69 9.185 1.666 -7.896 1.00 0.00 C ATOM 926 C ALA A 69 9.122 3.045 -7.244 1.00 0.00 C ATOM 927 O ALA A 69 8.113 3.420 -6.649 1.00 0.00 O ATOM 928 CB ALA A 69 8.929 1.775 -9.392 1.00 0.00 C ATOM 0 H ALA A 69 7.412 1.209 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 69 10.186 1.264 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.652 2.460 -9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.031 0.792 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.920 2.152 -9.562 1.00 0.00 H new ATOM 934 N VAL A 70 10.210 3.797 -7.367 1.00 0.00 N ATOM 935 CA VAL A 70 10.292 5.138 -6.800 1.00 0.00 C ATOM 936 C VAL A 70 11.060 6.066 -7.738 1.00 0.00 C ATOM 937 O VAL A 70 12.180 5.757 -8.144 1.00 0.00 O ATOM 938 CB VAL A 70 10.979 5.123 -5.420 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.393 4.571 -5.532 1.00 0.00 C ATOM 940 CG2 VAL A 70 10.987 6.517 -4.809 1.00 0.00 C ATOM 0 H VAL A 70 11.053 3.498 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 70 9.273 5.505 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 70 10.410 4.468 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.862 4.568 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.356 3.553 -5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.975 5.196 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.476 6.485 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.529 7.199 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.962 6.867 -4.688 1.00 0.00 H new ATOM 950 N ASN A 71 10.453 7.195 -8.087 1.00 0.00 N ATOM 951 CA ASN A 71 11.086 8.154 -8.989 1.00 0.00 C ATOM 952 C ASN A 71 11.368 7.520 -10.348 1.00 0.00 C ATOM 953 O ASN A 71 12.191 8.018 -11.116 1.00 0.00 O ATOM 954 CB ASN A 71 12.390 8.673 -8.382 1.00 0.00 C ATOM 955 CG ASN A 71 12.166 9.457 -7.106 1.00 0.00 C ATOM 956 OD1 ASN A 71 11.788 10.628 -7.141 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.398 8.813 -5.968 1.00 0.00 N ATOM 0 H ASN A 71 9.526 7.469 -7.761 1.00 0.00 H new ATOM 0 HA ASN A 71 10.398 8.988 -9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.051 7.831 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.898 9.306 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.264 9.289 -5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.710 7.842 -5.986 1.00 0.00 H new ATOM 964 N GLY A 72 10.687 6.415 -10.638 1.00 0.00 N ATOM 965 CA GLY A 72 10.887 5.729 -11.900 1.00 0.00 C ATOM 966 C GLY A 72 11.995 4.699 -11.820 1.00 0.00 C ATOM 967 O GLY A 72 12.644 4.393 -12.818 1.00 0.00 O ATOM 0 H GLY A 72 10.000 5.983 -10.020 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.959 5.240 -12.197 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.126 6.458 -12.674 1.00 0.00 H new ATOM 971 N GLU A 73 12.213 4.167 -10.620 1.00 0.00 N ATOM 972 CA GLU A 73 13.254 3.170 -10.403 1.00 0.00 C ATOM 973 C GLU A 73 12.694 1.950 -9.679 1.00 0.00 C ATOM 974 O GLU A 73 12.502 1.971 -8.463 1.00 0.00 O ATOM 975 CB GLU A 73 14.408 3.771 -9.591 1.00 0.00 C ATOM 976 CG GLU A 73 14.598 5.267 -9.803 1.00 0.00 C ATOM 977 CD GLU A 73 16.051 5.648 -10.001 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.920 5.037 -9.343 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.321 6.558 -10.814 1.00 0.00 O ATOM 0 H GLU A 73 11.682 4.411 -9.784 1.00 0.00 H new ATOM 0 HA GLU A 73 13.629 2.856 -11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.230 3.584 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.332 3.256 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.022 5.583 -10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.199 5.806 -8.943 1.00 0.00 H new ATOM 986 N SER A 74 12.432 0.889 -10.434 1.00 0.00 N ATOM 987 CA SER A 74 11.893 -0.341 -9.864 1.00 0.00 C ATOM 988 C SER A 74 12.895 -0.990 -8.915 1.00 0.00 C ATOM 989 O SER A 74 14.106 -0.878 -9.105 1.00 0.00 O ATOM 990 CB SER A 74 11.520 -1.321 -10.978 1.00 0.00 C ATOM 991 OG SER A 74 10.914 -2.487 -10.451 1.00 0.00 O ATOM 0 H SER A 74 12.584 0.855 -11.442 1.00 0.00 H new ATOM 0 HA SER A 74 10.998 -0.086 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.838 -0.838 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.413 -1.594 -11.540 1.00 0.00 H new ATOM 0 HG SER A 74 10.684 -3.096 -11.184 1.00 0.00 H new ATOM 997 N LEU A 75 12.381 -1.666 -7.894 1.00 0.00 N ATOM 998 CA LEU A 75 13.233 -2.333 -6.913 1.00 0.00 C ATOM 999 C LEU A 75 12.791 -3.779 -6.688 1.00 0.00 C ATOM 1000 O LEU A 75 13.210 -4.420 -5.723 1.00 0.00 O ATOM 1001 CB LEU A 75 13.229 -1.571 -5.582 1.00 0.00 C ATOM 1002 CG LEU A 75 12.182 -0.464 -5.457 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.807 -1.056 -5.188 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.571 0.510 -4.357 1.00 0.00 C ATOM 0 H LEU A 75 11.381 -1.767 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 75 14.248 -2.342 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.073 -2.287 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.215 -1.132 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 75 12.140 0.080 -6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.075 -0.253 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.527 -1.715 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.831 -1.625 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.816 1.292 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.641 -0.022 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.536 0.959 -4.593 1.00 0.00 H new ATOM 1016 N LEU A 76 11.949 -4.291 -7.582 1.00 0.00 N ATOM 1017 CA LEU A 76 11.462 -5.662 -7.471 1.00 0.00 C ATOM 1018 C LEU A 76 12.616 -6.659 -7.521 1.00 0.00 C ATOM 1019 O LEU A 76 12.492 -7.789 -7.048 1.00 0.00 O ATOM 1020 CB LEU A 76 10.465 -5.962 -8.594 1.00 0.00 C ATOM 1021 CG LEU A 76 9.510 -7.125 -8.317 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.356 -6.672 -7.435 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.988 -7.707 -9.622 1.00 0.00 C ATOM 0 H LEU A 76 11.591 -3.779 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 76 10.960 -5.765 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.876 -5.065 -8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.022 -6.178 -9.506 1.00 0.00 H new ATOM 0 HG LEU A 76 10.060 -7.903 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.688 -7.513 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.746 -6.302 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.806 -5.876 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.310 -8.533 -9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.455 -6.935 -10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.825 -8.070 -10.219 1.00 0.00 H new ATOM 1035 N GLY A 77 13.737 -6.235 -8.098 1.00 0.00 N ATOM 1036 CA GLY A 77 14.894 -7.107 -8.197 1.00 0.00 C ATOM 1037 C GLY A 77 15.716 -7.134 -6.923 1.00 0.00 C ATOM 1038 O GLY A 77 16.392 -8.124 -6.637 1.00 0.00 O ATOM 0 H GLY A 77 13.865 -5.305 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.563 -8.118 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.523 -6.777 -9.024 1.00 0.00 H new ATOM 1042 N LYS A 78 15.663 -6.049 -6.158 1.00 0.00 N ATOM 1043 CA LYS A 78 16.412 -5.957 -4.910 1.00 0.00 C ATOM 1044 C LYS A 78 15.546 -6.330 -3.720 1.00 0.00 C ATOM 1045 O LYS A 78 14.334 -6.515 -3.846 1.00 0.00 O ATOM 1046 CB LYS A 78 16.987 -4.552 -4.729 1.00 0.00 C ATOM 1047 CG LYS A 78 15.933 -3.474 -4.537 1.00 0.00 C ATOM 1048 CD LYS A 78 16.564 -2.091 -4.481 1.00 0.00 C ATOM 1049 CE LYS A 78 17.326 -1.777 -5.757 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.784 -2.039 -5.611 1.00 0.00 N ATOM 0 H LYS A 78 15.110 -5.221 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 78 17.237 -6.668 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.654 -4.552 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.592 -4.303 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.214 -3.515 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.380 -3.662 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.788 -1.342 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.240 -2.032 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.929 -2.379 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.170 -0.732 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.321 -1.230 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.014 -2.173 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.037 -2.897 -6.142 1.00 0.00 H new ATOM 1064 N ALA A 79 16.185 -6.449 -2.569 1.00 0.00 N ATOM 1065 CA ALA A 79 15.502 -6.817 -1.341 1.00 0.00 C ATOM 1066 C ALA A 79 14.723 -5.640 -0.761 1.00 0.00 C ATOM 1067 O ALA A 79 14.927 -4.493 -1.155 1.00 0.00 O ATOM 1068 CB ALA A 79 16.513 -7.340 -0.340 1.00 0.00 C ATOM 0 H ALA A 79 17.187 -6.294 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 79 14.779 -7.601 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.002 -7.617 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.015 -8.215 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.250 -6.565 -0.128 1.00 0.00 H new ATOM 1074 N ASN A 80 13.825 -5.939 0.174 1.00 0.00 N ATOM 1075 CA ASN A 80 13.007 -4.910 0.808 1.00 0.00 C ATOM 1076 C ASN A 80 13.875 -3.837 1.460 1.00 0.00 C ATOM 1077 O ASN A 80 13.642 -2.645 1.272 1.00 0.00 O ATOM 1078 CB ASN A 80 12.074 -5.529 1.853 1.00 0.00 C ATOM 1079 CG ASN A 80 12.761 -6.573 2.713 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.826 -6.328 3.279 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.153 -7.748 2.813 1.00 0.00 N ATOM 0 H ASN A 80 13.646 -6.886 0.509 1.00 0.00 H new ATOM 0 HA ASN A 80 12.407 -4.441 0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.680 -4.740 2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.222 -5.985 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.568 -8.491 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.271 -7.909 2.327 1.00 0.00 H new ATOM 1088 N GLN A 81 14.872 -4.265 2.228 1.00 0.00 N ATOM 1089 CA GLN A 81 15.768 -3.335 2.906 1.00 0.00 C ATOM 1090 C GLN A 81 16.491 -2.444 1.901 1.00 0.00 C ATOM 1091 O GLN A 81 16.599 -1.231 2.093 1.00 0.00 O ATOM 1092 CB GLN A 81 16.788 -4.092 3.759 1.00 0.00 C ATOM 1093 CG GLN A 81 17.422 -5.277 3.049 1.00 0.00 C ATOM 1094 CD GLN A 81 18.772 -4.945 2.449 1.00 0.00 C ATOM 1095 OE1 GLN A 81 18.909 -5.173 1.150 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 19.678 -4.487 3.145 1.00 0.00 N flip ATOM 0 H GLN A 81 15.080 -5.249 2.396 1.00 0.00 H new ATOM 0 HA GLN A 81 15.163 -2.704 3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.574 -3.402 4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.299 -4.444 4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.535 -6.100 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.754 -5.623 2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.526 -4.328 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.581 -4.266 2.726 1.00 0.00 H new ATOM 1105 N GLU A 82 16.970 -3.049 0.822 1.00 0.00 N ATOM 1106 CA GLU A 82 17.667 -2.311 -0.220 1.00 0.00 C ATOM 1107 C GLU A 82 16.685 -1.428 -0.972 1.00 0.00 C ATOM 1108 O GLU A 82 17.033 -0.342 -1.433 1.00 0.00 O ATOM 1109 CB GLU A 82 18.361 -3.277 -1.183 1.00 0.00 C ATOM 1110 CG GLU A 82 19.877 -3.262 -1.072 1.00 0.00 C ATOM 1111 CD GLU A 82 20.516 -2.205 -1.948 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.318 -2.256 -3.181 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.215 -1.324 -1.403 1.00 0.00 O ATOM 0 H GLU A 82 16.888 -4.050 0.647 1.00 0.00 H new ATOM 0 HA GLU A 82 18.427 -1.680 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 82 18.001 -4.288 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.077 -3.025 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.160 -3.087 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.267 -4.242 -1.348 1.00 0.00 H new ATOM 1120 N ALA A 83 15.450 -1.906 -1.084 1.00 0.00 N ATOM 1121 CA ALA A 83 14.412 -1.162 -1.772 1.00 0.00 C ATOM 1122 C ALA A 83 14.026 0.077 -0.979 1.00 0.00 C ATOM 1123 O ALA A 83 13.948 1.177 -1.525 1.00 0.00 O ATOM 1124 CB ALA A 83 13.203 -2.047 -2.025 1.00 0.00 C ATOM 0 H ALA A 83 15.148 -2.804 -0.706 1.00 0.00 H new ATOM 0 HA ALA A 83 14.800 -0.836 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.434 -1.473 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.497 -2.897 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.810 -2.407 -1.074 1.00 0.00 H new ATOM 1130 N MET A 84 13.803 -0.101 0.320 1.00 0.00 N ATOM 1131 CA MET A 84 13.448 1.015 1.187 1.00 0.00 C ATOM 1132 C MET A 84 14.578 2.034 1.207 1.00 0.00 C ATOM 1133 O MET A 84 14.347 3.237 1.322 1.00 0.00 O ATOM 1134 CB MET A 84 13.149 0.531 2.604 1.00 0.00 C ATOM 1135 CG MET A 84 14.276 -0.271 3.231 1.00 0.00 C ATOM 1136 SD MET A 84 13.885 -0.818 4.904 1.00 0.00 S ATOM 1137 CE MET A 84 12.157 -1.249 4.718 1.00 0.00 C ATOM 0 H MET A 84 13.862 -1.003 0.792 1.00 0.00 H new ATOM 0 HA MET A 84 12.547 1.486 0.793 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.936 1.394 3.235 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.247 -0.081 2.586 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.489 -1.140 2.609 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.181 0.336 3.253 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.790 -1.690 5.645 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.581 -0.352 4.490 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.047 -1.968 3.906 1.00 0.00 H new ATOM 1147 N GLU A 85 15.805 1.539 1.063 1.00 0.00 N ATOM 1148 CA GLU A 85 16.977 2.400 1.032 1.00 0.00 C ATOM 1149 C GLU A 85 17.011 3.136 -0.300 1.00 0.00 C ATOM 1150 O GLU A 85 17.418 4.295 -0.381 1.00 0.00 O ATOM 1151 CB GLU A 85 18.251 1.565 1.226 1.00 0.00 C ATOM 1152 CG GLU A 85 19.521 2.231 0.714 1.00 0.00 C ATOM 1153 CD GLU A 85 20.662 2.154 1.709 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.665 2.949 2.672 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.555 1.301 1.523 1.00 0.00 O ATOM 0 H GLU A 85 16.010 0.545 0.966 1.00 0.00 H new ATOM 0 HA GLU A 85 16.925 3.127 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.371 1.348 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.126 0.609 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.825 1.756 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.312 3.276 0.487 1.00 0.00 H new ATOM 1162 N THR A 86 16.558 2.445 -1.340 1.00 0.00 N ATOM 1163 CA THR A 86 16.503 3.008 -2.675 1.00 0.00 C ATOM 1164 C THR A 86 15.550 4.199 -2.704 1.00 0.00 C ATOM 1165 O THR A 86 15.782 5.174 -3.417 1.00 0.00 O ATOM 1166 CB THR A 86 16.067 1.931 -3.677 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.159 1.098 -4.021 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.494 2.483 -4.963 1.00 0.00 C ATOM 0 H THR A 86 16.221 1.484 -1.278 1.00 0.00 H new ATOM 0 HA THR A 86 17.495 3.361 -2.958 1.00 0.00 H new ATOM 0 HB THR A 86 15.281 1.375 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.344 0.480 -3.283 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.210 1.659 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.616 3.088 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.243 3.100 -5.460 1.00 0.00 H new ATOM 1176 N LEU A 87 14.488 4.123 -1.907 1.00 0.00 N ATOM 1177 CA LEU A 87 13.517 5.213 -1.830 1.00 0.00 C ATOM 1178 C LEU A 87 14.106 6.336 -1.000 1.00 0.00 C ATOM 1179 O LEU A 87 13.878 7.514 -1.265 1.00 0.00 O ATOM 1180 CB LEU A 87 12.178 4.766 -1.217 1.00 0.00 C ATOM 1181 CG LEU A 87 11.984 3.259 -1.028 1.00 0.00 C ATOM 1182 CD1 LEU A 87 10.798 2.989 -0.116 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.790 2.574 -2.371 1.00 0.00 C ATOM 0 H LEU A 87 14.278 3.324 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 87 13.309 5.549 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.069 5.249 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.372 5.137 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 87 12.880 2.851 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.673 1.913 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.974 3.449 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.895 3.411 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.654 1.504 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.909 2.985 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.668 2.742 -2.995 1.00 0.00 H new ATOM 1195 N ARG A 88 14.876 5.945 0.007 1.00 0.00 N ATOM 1196 CA ARG A 88 15.530 6.887 0.895 1.00 0.00 C ATOM 1197 C ARG A 88 16.435 7.830 0.111 1.00 0.00 C ATOM 1198 O ARG A 88 16.345 9.050 0.242 1.00 0.00 O ATOM 1199 CB ARG A 88 16.344 6.115 1.930 1.00 0.00 C ATOM 1200 CG ARG A 88 15.968 6.438 3.363 1.00 0.00 C ATOM 1201 CD ARG A 88 16.956 5.832 4.350 1.00 0.00 C ATOM 1202 NE ARG A 88 17.624 6.852 5.157 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.139 7.331 6.301 1.00 0.00 C ATOM 1204 NH1 ARG A 88 15.969 6.910 6.767 1.00 0.00 N ATOM 1205 NH2 ARG A 88 17.825 8.240 6.981 1.00 0.00 N ATOM 0 H ARG A 88 15.062 4.967 0.228 1.00 0.00 H new ATOM 0 HA ARG A 88 14.772 7.488 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.211 5.046 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.402 6.332 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.936 7.519 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.967 6.061 3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.432 5.137 5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.703 5.254 3.806 1.00 0.00 H new ATOM 0 HE ARG A 88 18.515 7.219 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.434 6.214 6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.606 7.283 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.723 8.571 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.455 8.608 7.857 1.00 0.00 H new ATOM 1219 N ARG A 89 17.305 7.248 -0.707 1.00 0.00 N ATOM 1220 CA ARG A 89 18.228 8.026 -1.520 1.00 0.00 C ATOM 1221 C ARG A 89 17.484 8.734 -2.649 1.00 0.00 C ATOM 1222 O ARG A 89 17.731 9.906 -2.929 1.00 0.00 O ATOM 1223 CB ARG A 89 19.343 7.111 -2.064 1.00 0.00 C ATOM 1224 CG ARG A 89 19.335 6.898 -3.577 1.00 0.00 C ATOM 1225 CD ARG A 89 18.404 5.764 -3.974 1.00 0.00 C ATOM 1226 NE ARG A 89 19.019 4.867 -4.949 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.039 5.098 -6.260 1.00 0.00 C ATOM 1228 NH1 ARG A 89 18.487 6.198 -6.758 1.00 0.00 N ATOM 1229 NH2 ARG A 89 19.617 4.226 -7.076 1.00 0.00 N ATOM 0 H ARG A 89 17.389 6.238 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 89 18.690 8.796 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.307 7.532 -1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.263 6.139 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.023 7.817 -4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.346 6.678 -3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.124 5.197 -3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.486 6.178 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 89 19.459 4.013 -4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.044 6.873 -6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.506 6.368 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.045 3.381 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.633 4.401 -8.081 1.00 0.00 H new ATOM 1243 N SER A 90 16.573 8.017 -3.293 1.00 0.00 N ATOM 1244 CA SER A 90 15.798 8.582 -4.389 1.00 0.00 C ATOM 1245 C SER A 90 14.883 9.700 -3.898 1.00 0.00 C ATOM 1246 O SER A 90 14.573 10.627 -4.640 1.00 0.00 O ATOM 1247 CB SER A 90 14.973 7.493 -5.079 1.00 0.00 C ATOM 1248 OG SER A 90 14.717 7.828 -6.432 1.00 0.00 O ATOM 0 H SER A 90 16.353 7.045 -3.076 1.00 0.00 H new ATOM 0 HA SER A 90 16.498 9.005 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.506 6.543 -5.031 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.030 7.357 -4.550 1.00 0.00 H new ATOM 0 HG SER A 90 14.641 7.008 -6.963 1.00 0.00 H new ATOM 1254 N MET A 91 14.452 9.606 -2.644 1.00 0.00 N ATOM 1255 CA MET A 91 13.569 10.617 -2.069 1.00 0.00 C ATOM 1256 C MET A 91 14.360 11.748 -1.412 1.00 0.00 C ATOM 1257 O MET A 91 13.829 12.834 -1.191 1.00 0.00 O ATOM 1258 CB MET A 91 12.619 9.978 -1.053 1.00 0.00 C ATOM 1259 CG MET A 91 13.240 9.732 0.316 1.00 0.00 C ATOM 1260 SD MET A 91 12.092 8.963 1.478 1.00 0.00 S ATOM 1261 CE MET A 91 11.009 8.072 0.365 1.00 0.00 C ATOM 0 H MET A 91 14.697 8.846 -2.010 1.00 0.00 H new ATOM 0 HA MET A 91 12.986 11.047 -2.883 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.747 10.621 -0.933 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.262 9.029 -1.453 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.117 9.094 0.203 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.586 10.680 0.728 1.00 0.00 H new ATOM 0 HE1 MET A 91 10.314 7.463 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.449 8.782 -0.244 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.603 7.428 -0.283 1.00 0.00 H new ATOM 1271 N SER A 92 15.623 11.486 -1.087 1.00 0.00 N ATOM 1272 CA SER A 92 16.464 12.489 -0.440 1.00 0.00 C ATOM 1273 C SER A 92 17.686 12.836 -1.285 1.00 0.00 C ATOM 1274 O SER A 92 18.722 13.232 -0.752 1.00 0.00 O ATOM 1275 CB SER A 92 16.912 11.988 0.934 1.00 0.00 C ATOM 1276 OG SER A 92 16.711 12.976 1.930 1.00 0.00 O ATOM 0 H SER A 92 16.085 10.593 -1.260 1.00 0.00 H new ATOM 0 HA SER A 92 15.868 13.395 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.357 11.087 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.966 11.713 0.898 1.00 0.00 H new ATOM 0 HG SER A 92 17.004 12.629 2.799 1.00 0.00 H new ATOM 1282 N THR A 93 17.568 12.689 -2.600 1.00 0.00 N ATOM 1283 CA THR A 93 18.681 12.994 -3.493 1.00 0.00 C ATOM 1284 C THR A 93 18.217 13.179 -4.940 1.00 0.00 C ATOM 1285 O THR A 93 18.819 13.943 -5.694 1.00 0.00 O ATOM 1286 CB THR A 93 19.739 11.887 -3.394 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.986 12.426 -2.996 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.964 11.117 -4.678 1.00 0.00 C ATOM 0 H THR A 93 16.722 12.364 -3.068 1.00 0.00 H new ATOM 0 HA THR A 93 19.121 13.940 -3.179 1.00 0.00 H new ATOM 0 HB THR A 93 19.341 11.192 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.649 11.707 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.727 10.356 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 93 19.033 10.639 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.294 11.801 -5.460 1.00 0.00 H new ATOM 1296 N GLU A 94 17.160 12.473 -5.330 1.00 0.00 N ATOM 1297 CA GLU A 94 16.645 12.565 -6.690 1.00 0.00 C ATOM 1298 C GLU A 94 15.279 13.241 -6.727 1.00 0.00 C ATOM 1299 O GLU A 94 15.153 14.384 -7.168 1.00 0.00 O ATOM 1300 CB GLU A 94 16.567 11.172 -7.314 1.00 0.00 C ATOM 1301 CG GLU A 94 17.880 10.413 -7.248 1.00 0.00 C ATOM 1302 CD GLU A 94 18.060 9.454 -8.409 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.636 9.796 -9.533 1.00 0.00 O ATOM 1304 OE2 GLU A 94 18.628 8.362 -8.196 1.00 0.00 O ATOM 0 H GLU A 94 16.645 11.833 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 94 17.333 13.180 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.795 10.595 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.260 11.264 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.706 11.124 -7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.927 9.857 -6.312 1.00 0.00 H new ATOM 1311 N GLY A 95 14.258 12.530 -6.263 1.00 0.00 N ATOM 1312 CA GLY A 95 12.911 13.075 -6.253 1.00 0.00 C ATOM 1313 C GLY A 95 12.848 14.465 -5.648 1.00 0.00 C ATOM 1314 O GLY A 95 11.998 15.274 -6.021 1.00 0.00 O ATOM 0 H GLY A 95 14.338 11.583 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.529 13.109 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.257 12.408 -5.691 1.00 0.00 H new ATOM 1318 N ASN A 96 13.753 14.743 -4.717 1.00 0.00 N ATOM 1319 CA ASN A 96 13.804 16.043 -4.063 1.00 0.00 C ATOM 1320 C ASN A 96 14.369 17.094 -5.018 1.00 0.00 C ATOM 1321 O ASN A 96 13.959 18.254 -4.994 1.00 0.00 O ATOM 1322 CB ASN A 96 14.648 15.953 -2.782 1.00 0.00 C ATOM 1323 CG ASN A 96 15.262 17.279 -2.371 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.495 18.353 -2.508 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.412 17.336 -1.934 1.00 0.00 N flip ATOM 0 H ASN A 96 14.463 14.083 -4.398 1.00 0.00 H new ATOM 0 HA ASN A 96 12.793 16.345 -3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.023 15.583 -1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.444 15.223 -2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.967 16.485 -1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.810 18.235 -1.661 1.00 0.00 H new ATOM 1332 N LYS A 97 15.309 16.669 -5.858 1.00 0.00 N ATOM 1333 CA LYS A 97 15.943 17.553 -6.835 1.00 0.00 C ATOM 1334 C LYS A 97 14.931 18.504 -7.467 1.00 0.00 C ATOM 1335 O LYS A 97 15.245 19.654 -7.771 1.00 0.00 O ATOM 1336 CB LYS A 97 16.623 16.726 -7.912 1.00 0.00 C ATOM 1337 CG LYS A 97 17.743 15.873 -7.358 1.00 0.00 C ATOM 1338 CD LYS A 97 18.644 15.369 -8.458 1.00 0.00 C ATOM 1339 CE LYS A 97 19.446 16.494 -9.088 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.911 16.310 -8.895 1.00 0.00 N ATOM 0 H LYS A 97 15.652 15.709 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 97 16.687 18.155 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.885 16.085 -8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.020 17.389 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.327 16.454 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.323 15.028 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.324 14.618 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.044 14.877 -9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.224 16.545 -10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.140 17.445 -8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.422 17.099 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.127 16.287 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 21.209 15.415 -9.332 1.00 0.00 H new ATOM 1354 N ARG A 98 13.710 18.011 -7.650 1.00 0.00 N ATOM 1355 CA ARG A 98 12.643 18.809 -8.235 1.00 0.00 C ATOM 1356 C ARG A 98 11.654 19.256 -7.163 1.00 0.00 C ATOM 1357 O ARG A 98 10.973 20.271 -7.318 1.00 0.00 O ATOM 1358 CB ARG A 98 11.917 18.017 -9.321 1.00 0.00 C ATOM 1359 CG ARG A 98 11.549 16.609 -8.895 1.00 0.00 C ATOM 1360 CD ARG A 98 12.434 15.571 -9.569 1.00 0.00 C ATOM 1361 NE ARG A 98 11.770 14.943 -10.708 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.909 13.933 -10.602 1.00 0.00 C ATOM 1363 NH1 ARG A 98 10.600 13.435 -9.412 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.353 13.420 -11.692 1.00 0.00 N ATOM 0 H ARG A 98 13.437 17.061 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 98 13.090 19.695 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.010 18.551 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.549 17.967 -10.208 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.642 16.520 -7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.505 16.414 -9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.357 16.044 -9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.712 14.806 -8.844 1.00 0.00 H new ATOM 0 HE ARG A 98 11.978 15.300 -11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.023 13.826 -8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.939 12.661 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.585 13.799 -12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.693 12.646 -11.612 1.00 0.00 H new ATOM 1378 N GLY A 99 11.579 18.497 -6.069 1.00 0.00 N ATOM 1379 CA GLY A 99 10.672 18.840 -4.991 1.00 0.00 C ATOM 1380 C GLY A 99 9.687 17.731 -4.669 1.00 0.00 C ATOM 1381 O GLY A 99 8.955 17.819 -3.685 1.00 0.00 O ATOM 0 H GLY A 99 12.130 17.653 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.251 19.075 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.121 19.741 -5.260 1.00 0.00 H new ATOM 1385 N MET A 100 9.660 16.689 -5.498 1.00 0.00 N ATOM 1386 CA MET A 100 8.748 15.573 -5.288 1.00 0.00 C ATOM 1387 C MET A 100 9.281 14.289 -5.915 1.00 0.00 C ATOM 1388 O MET A 100 9.908 14.315 -6.975 1.00 0.00 O ATOM 1389 CB MET A 100 7.378 15.903 -5.873 1.00 0.00 C ATOM 1390 CG MET A 100 7.420 16.222 -7.358 1.00 0.00 C ATOM 1391 SD MET A 100 6.389 15.120 -8.342 1.00 0.00 S ATOM 1392 CE MET A 100 7.443 13.677 -8.445 1.00 0.00 C ATOM 0 H MET A 100 10.259 16.597 -6.319 1.00 0.00 H new ATOM 0 HA MET A 100 8.659 15.412 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.708 15.060 -5.708 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.957 16.754 -5.337 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.094 17.251 -7.513 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.450 16.158 -7.709 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.028 12.974 -9.167 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.441 13.977 -8.764 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.503 13.200 -7.467 1.00 0.00 H new ATOM 1402 N ILE A 101 9.026 13.168 -5.249 1.00 0.00 N ATOM 1403 CA ILE A 101 9.472 11.866 -5.724 1.00 0.00 C ATOM 1404 C ILE A 101 8.289 11.015 -6.183 1.00 0.00 C ATOM 1405 O ILE A 101 7.234 11.008 -5.550 1.00 0.00 O ATOM 1406 CB ILE A 101 10.269 11.108 -4.627 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.634 9.749 -4.305 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.389 11.946 -3.363 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.351 8.992 -3.209 1.00 0.00 C ATOM 0 H ILE A 101 8.508 13.137 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 101 10.131 12.041 -6.574 1.00 0.00 H new ATOM 0 HB ILE A 101 11.269 10.928 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.596 9.903 -4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.622 9.139 -5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.951 11.392 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.908 12.877 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.394 12.170 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.848 8.041 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.382 8.807 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.340 9.582 -2.292 1.00 0.00 H new ATOM 1421 N GLN A 102 8.480 10.282 -7.276 1.00 0.00 N ATOM 1422 CA GLN A 102 7.435 9.411 -7.800 1.00 0.00 C ATOM 1423 C GLN A 102 7.353 8.147 -6.951 1.00 0.00 C ATOM 1424 O GLN A 102 8.352 7.723 -6.369 1.00 0.00 O ATOM 1425 CB GLN A 102 7.717 9.051 -9.261 1.00 0.00 C ATOM 1426 CG GLN A 102 6.542 8.383 -9.960 1.00 0.00 C ATOM 1427 CD GLN A 102 6.963 7.215 -10.832 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.831 6.359 -10.303 1.00 0.00 O flip ATOM 1429 NE2 GLN A 102 6.513 7.082 -11.970 1.00 0.00 N flip ATOM 0 H GLN A 102 9.346 10.274 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 102 6.481 9.936 -7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.986 9.957 -9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.580 8.386 -9.303 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.831 8.034 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.023 9.120 -10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.848 7.762 -12.338 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.805 6.291 -12.545 1.00 0.00 H new ATOM 1438 N LEU A 103 6.168 7.554 -6.862 1.00 0.00 N ATOM 1439 CA LEU A 103 5.994 6.353 -6.054 1.00 0.00 C ATOM 1440 C LEU A 103 5.016 5.372 -6.686 1.00 0.00 C ATOM 1441 O LEU A 103 3.813 5.619 -6.732 1.00 0.00 O ATOM 1442 CB LEU A 103 5.505 6.733 -4.657 1.00 0.00 C ATOM 1443 CG LEU A 103 6.609 6.990 -3.634 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.282 8.214 -2.795 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.810 5.769 -2.752 1.00 0.00 C ATOM 0 H LEU A 103 5.324 7.880 -7.333 1.00 0.00 H new ATOM 0 HA LEU A 103 6.964 5.860 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.888 7.628 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.863 5.935 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 103 7.540 7.182 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.079 8.383 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.190 9.085 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.342 8.053 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.600 5.969 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.883 5.545 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.091 4.916 -3.370 1.00 0.00 H new ATOM 1457 N ILE A 104 5.538 4.239 -7.144 1.00 0.00 N ATOM 1458 CA ILE A 104 4.706 3.205 -7.739 1.00 0.00 C ATOM 1459 C ILE A 104 4.483 2.083 -6.734 1.00 0.00 C ATOM 1460 O ILE A 104 5.422 1.385 -6.352 1.00 0.00 O ATOM 1461 CB ILE A 104 5.343 2.626 -9.018 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.700 3.751 -9.989 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.400 1.630 -9.678 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.673 3.330 -11.069 1.00 0.00 C ATOM 0 H ILE A 104 6.533 4.016 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 104 3.754 3.661 -8.011 1.00 0.00 H new ATOM 0 HB ILE A 104 6.259 2.102 -8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.787 4.120 -10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.129 4.582 -9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.865 1.231 -10.579 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.190 0.814 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.468 2.131 -9.942 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.881 4.178 -11.722 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.601 2.989 -10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.239 2.520 -11.654 1.00 0.00 H new ATOM 1476 N VAL A 105 3.241 1.925 -6.293 1.00 0.00 N ATOM 1477 CA VAL A 105 2.911 0.898 -5.313 1.00 0.00 C ATOM 1478 C VAL A 105 1.943 -0.134 -5.883 1.00 0.00 C ATOM 1479 O VAL A 105 1.456 0.004 -7.004 1.00 0.00 O ATOM 1480 CB VAL A 105 2.303 1.514 -4.035 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.146 2.683 -3.551 1.00 0.00 C ATOM 1482 CG2 VAL A 105 0.865 1.959 -4.274 1.00 0.00 C ATOM 0 H VAL A 105 2.449 2.492 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 105 3.846 0.400 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 105 2.297 0.746 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.701 3.104 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.156 2.337 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.187 3.448 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.460 2.389 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.842 2.707 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.262 1.100 -4.568 1.00 0.00 H new ATOM 1492 N ALA A 106 1.671 -1.164 -5.092 1.00 0.00 N ATOM 1493 CA ALA A 106 0.760 -2.222 -5.497 1.00 0.00 C ATOM 1494 C ALA A 106 0.008 -2.784 -4.297 1.00 0.00 C ATOM 1495 O ALA A 106 0.589 -3.010 -3.233 1.00 0.00 O ATOM 1496 CB ALA A 106 1.515 -3.324 -6.222 1.00 0.00 C ATOM 0 H ALA A 106 2.072 -1.288 -4.162 1.00 0.00 H new ATOM 0 HA ALA A 106 0.027 -1.796 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.818 -4.108 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.997 -2.912 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.272 -3.743 -5.559 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.288 -3.004 -4.479 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.133 -3.537 -3.419 1.00 0.00 C ATOM 1504 C ARG A 107 -3.363 -4.221 -4.003 1.00 0.00 C ATOM 1505 O ARG A 107 -3.520 -4.301 -5.221 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.558 -2.429 -2.450 1.00 0.00 C ATOM 1507 CG ARG A 107 -2.717 -1.065 -3.101 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.015 -0.970 -3.887 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.140 -0.576 -3.042 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.413 -0.650 -3.421 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -6.730 -1.111 -4.626 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.375 -0.266 -2.593 1.00 0.00 N ATOM 0 H ARG A 107 -1.778 -2.821 -5.355 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.551 -4.275 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.503 -2.710 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.819 -2.355 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.697 -0.290 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.874 -0.877 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.898 -0.247 -4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.230 -1.933 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.937 -0.223 -2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.995 -1.411 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.708 -1.165 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.139 0.086 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.351 -0.323 -2.884 1.00 0.00 H new ATOM 1526 N ARG A 108 -4.230 -4.715 -3.130 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.445 -5.396 -3.562 1.00 0.00 C ATOM 1528 C ARG A 108 -6.675 -4.531 -3.304 1.00 0.00 C ATOM 1529 O ARG A 108 -6.830 -3.961 -2.224 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.587 -6.735 -2.837 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.706 -7.607 -3.386 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.258 -9.050 -3.556 1.00 0.00 C ATOM 1533 NE ARG A 108 -5.559 -9.550 -2.374 1.00 0.00 N ATOM 1534 CZ ARG A 108 -4.781 -10.629 -2.375 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -4.598 -11.324 -3.491 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -4.182 -11.014 -1.257 1.00 0.00 N ATOM 0 H ARG A 108 -4.116 -4.657 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.370 -5.577 -4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.645 -7.279 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.769 -6.549 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.562 -7.568 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.038 -7.213 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.126 -9.678 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.603 -9.126 -4.424 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.674 -9.042 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.055 -11.032 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.000 -12.150 -3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.318 -10.483 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.585 -11.841 -1.257 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.548 -4.439 -4.304 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.765 -3.646 -4.182 1.00 0.00 C ATOM 1552 C ILE A 109 -9.690 -4.228 -3.119 1.00 0.00 C ATOM 1553 O ILE A 109 -10.337 -5.252 -3.335 1.00 0.00 O ATOM 1554 CB ILE A 109 -9.524 -3.564 -5.522 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -8.600 -3.055 -6.628 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -10.742 -2.662 -5.389 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -9.144 -3.287 -8.021 1.00 0.00 C ATOM 0 H ILE A 109 -7.435 -4.903 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.461 -2.641 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.864 -4.565 -5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.429 -1.988 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.632 -3.548 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.266 -2.615 -6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.410 -3.063 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.423 -1.660 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.438 -2.902 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.289 -4.355 -8.182 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.098 -2.771 -8.130 1.00 0.00 H new ATOM 1569 N SER A 110 -9.746 -3.565 -1.970 1.00 0.00 N ATOM 1570 CA SER A 110 -10.591 -4.012 -0.868 1.00 0.00 C ATOM 1571 C SER A 110 -11.640 -2.959 -0.526 1.00 0.00 C ATOM 1572 O SER A 110 -11.561 -2.302 0.513 1.00 0.00 O ATOM 1573 CB SER A 110 -9.737 -4.321 0.363 1.00 0.00 C ATOM 1574 OG SER A 110 -10.412 -5.200 1.245 1.00 0.00 O ATOM 0 H SER A 110 -9.216 -2.715 -1.777 1.00 0.00 H new ATOM 0 HA SER A 110 -11.105 -4.921 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.793 -4.768 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.495 -3.394 0.883 1.00 0.00 H new ATOM 0 HG SER A 110 -9.844 -5.383 2.023 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.326 -13.621 6.187 1.00 0.00 N ATOM 1582 CA ASP B 3 3.424 -13.454 5.242 1.00 0.00 C ATOM 1583 C ASP B 3 4.536 -12.605 5.849 1.00 0.00 C ATOM 1584 O ASP B 3 5.224 -11.866 5.142 1.00 0.00 O ATOM 1585 CB ASP B 3 2.919 -12.806 3.951 1.00 0.00 C ATOM 1586 CG ASP B 3 2.357 -13.823 2.977 1.00 0.00 C ATOM 1587 OD1 ASP B 3 1.192 -14.234 3.154 1.00 0.00 O ATOM 1588 OD2 ASP B 3 3.083 -14.208 2.035 1.00 0.00 O ATOM 0 HA ASP B 3 3.827 -14.440 5.011 1.00 0.00 H new ATOM 0 HB2 ASP B 3 2.149 -12.073 4.192 1.00 0.00 H new ATOM 0 HB3 ASP B 3 3.737 -12.264 3.475 1.00 0.00 H new ATOM 1593 N GLU B 4 4.707 -12.714 7.162 1.00 0.00 N ATOM 1594 CA GLU B 4 5.737 -11.957 7.865 1.00 0.00 C ATOM 1595 C GLU B 4 6.822 -12.883 8.405 1.00 0.00 C ATOM 1596 O GLU B 4 6.626 -14.094 8.501 1.00 0.00 O ATOM 1597 CB GLU B 4 5.117 -11.156 9.013 1.00 0.00 C ATOM 1598 CG GLU B 4 3.805 -10.481 8.649 1.00 0.00 C ATOM 1599 CD GLU B 4 3.716 -9.060 9.174 1.00 0.00 C ATOM 1600 OE1 GLU B 4 4.350 -8.165 8.577 1.00 0.00 O ATOM 1601 OE2 GLU B 4 3.009 -8.844 10.181 1.00 0.00 O ATOM 0 H GLU B 4 4.146 -13.319 7.761 1.00 0.00 H new ATOM 0 HA GLU B 4 6.194 -11.268 7.154 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.950 -11.822 9.860 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.828 -10.397 9.340 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.694 -10.472 7.565 1.00 0.00 H new ATOM 0 HG3 GLU B 4 2.976 -11.065 9.049 1.00 0.00 H new ATOM 1608 N ASP B 5 7.965 -12.305 8.758 1.00 0.00 N ATOM 1609 CA ASP B 5 9.081 -13.077 9.289 1.00 0.00 C ATOM 1610 C ASP B 5 9.118 -12.996 10.813 1.00 0.00 C ATOM 1611 O ASP B 5 10.188 -13.039 11.421 1.00 0.00 O ATOM 1612 CB ASP B 5 10.403 -12.570 8.709 1.00 0.00 C ATOM 1613 CG ASP B 5 11.388 -13.692 8.443 1.00 0.00 C ATOM 1614 OD1 ASP B 5 11.011 -14.666 7.759 1.00 0.00 O ATOM 1615 OD2 ASP B 5 12.538 -13.598 8.923 1.00 0.00 O ATOM 0 H ASP B 5 8.142 -11.303 8.686 1.00 0.00 H new ATOM 0 HA ASP B 5 8.942 -14.118 8.999 1.00 0.00 H new ATOM 0 HB2 ASP B 5 10.207 -12.035 7.780 1.00 0.00 H new ATOM 0 HB3 ASP B 5 10.849 -11.855 9.400 1.00 0.00 H new ATOM 1620 N GLN B 6 7.943 -12.877 11.423 1.00 0.00 N ATOM 1621 CA GLN B 6 7.840 -12.790 12.875 1.00 0.00 C ATOM 1622 C GLN B 6 8.581 -11.564 13.398 1.00 0.00 C ATOM 1623 O GLN B 6 9.720 -11.663 13.855 1.00 0.00 O ATOM 1624 CB GLN B 6 8.401 -14.055 13.526 1.00 0.00 C ATOM 1625 CG GLN B 6 7.579 -15.302 13.241 1.00 0.00 C ATOM 1626 CD GLN B 6 6.131 -15.153 13.663 1.00 0.00 C ATOM 1627 OE1 GLN B 6 5.832 -14.958 14.841 1.00 0.00 O ATOM 1628 NE2 GLN B 6 5.220 -15.246 12.699 1.00 0.00 N ATOM 0 H GLN B 6 7.049 -12.839 10.934 1.00 0.00 H new ATOM 0 HA GLN B 6 6.786 -12.695 13.134 1.00 0.00 H new ATOM 0 HB2 GLN B 6 9.420 -14.213 13.174 1.00 0.00 H new ATOM 0 HB3 GLN B 6 8.456 -13.905 14.604 1.00 0.00 H new ATOM 0 HG2 GLN B 6 7.622 -15.526 12.175 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.020 -16.151 13.763 1.00 0.00 H new ATOM 0 HE21 GLN B 6 5.512 -15.408 11.735 1.00 0.00 H new ATOM 0 HE22 GLN B 6 4.229 -15.155 12.923 1.00 0.00 H new ATOM 1637 N HIS B 7 7.928 -10.408 13.327 1.00 0.00 N ATOM 1638 CA HIS B 7 8.527 -9.161 13.794 1.00 0.00 C ATOM 1639 C HIS B 7 9.823 -8.872 13.045 1.00 0.00 C ATOM 1640 O HIS B 7 10.861 -9.470 13.326 1.00 0.00 O ATOM 1641 CB HIS B 7 8.798 -9.233 15.297 1.00 0.00 C ATOM 1642 CG HIS B 7 7.574 -9.512 16.113 1.00 0.00 C ATOM 1643 ND1 HIS B 7 7.578 -10.337 17.218 1.00 0.00 N ATOM 1644 CD2 HIS B 7 6.300 -9.068 15.982 1.00 0.00 C ATOM 1645 CE1 HIS B 7 6.361 -10.390 17.730 1.00 0.00 C ATOM 1646 NE2 HIS B 7 5.568 -9.629 16.999 1.00 0.00 N ATOM 0 H HIS B 7 6.985 -10.308 12.951 1.00 0.00 H new ATOM 0 HA HIS B 7 7.824 -8.351 13.598 1.00 0.00 H new ATOM 0 HB2 HIS B 7 9.537 -10.011 15.488 1.00 0.00 H new ATOM 0 HB3 HIS B 7 9.236 -8.290 15.625 1.00 0.00 H new ATOM 0 HD2 HIS B 7 5.930 -8.398 15.220 1.00 0.00 H new ATOM 0 HE1 HIS B 7 6.065 -10.959 18.599 1.00 0.00 H new ATOM 0 HE2 HIS B 7 4.572 -9.482 17.163 1.00 0.00 H new ATOM 1655 N SER B 8 9.756 -7.952 12.087 1.00 0.00 N ATOM 1656 CA SER B 8 10.927 -7.590 11.298 1.00 0.00 C ATOM 1657 C SER B 8 11.531 -6.270 11.781 1.00 0.00 C ATOM 1658 O SER B 8 12.427 -6.264 12.624 1.00 0.00 O ATOM 1659 CB SER B 8 10.560 -7.499 9.814 1.00 0.00 C ATOM 1660 OG SER B 8 10.846 -8.714 9.142 1.00 0.00 O ATOM 0 H SER B 8 8.906 -7.446 11.840 1.00 0.00 H new ATOM 0 HA SER B 8 11.677 -8.370 11.428 1.00 0.00 H new ATOM 0 HB2 SER B 8 9.501 -7.264 9.712 1.00 0.00 H new ATOM 0 HB3 SER B 8 11.114 -6.683 9.349 1.00 0.00 H new ATOM 0 HG SER B 8 10.601 -8.631 8.197 1.00 0.00 H new ATOM 1666 N GLN B 9 11.041 -5.153 11.240 1.00 0.00 N ATOM 1667 CA GLN B 9 11.535 -3.835 11.615 1.00 0.00 C ATOM 1668 C GLN B 9 10.973 -2.780 10.676 1.00 0.00 C ATOM 1669 O GLN B 9 10.666 -3.069 9.519 1.00 0.00 O ATOM 1670 CB GLN B 9 13.064 -3.794 11.588 1.00 0.00 C ATOM 1671 CG GLN B 9 13.669 -4.477 10.378 1.00 0.00 C ATOM 1672 CD GLN B 9 13.245 -3.839 9.070 1.00 0.00 C ATOM 1673 OE1 GLN B 9 13.272 -2.512 9.021 1.00 0.00 O flip ATOM 1674 NE2 GLN B 9 12.898 -4.530 8.114 1.00 0.00 N flip ATOM 0 H GLN B 9 10.300 -5.139 10.539 1.00 0.00 H new ATOM 0 HA GLN B 9 11.204 -3.625 12.632 1.00 0.00 H new ATOM 0 HB2 GLN B 9 13.391 -2.755 11.609 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.448 -4.268 12.492 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.756 -4.448 10.456 1.00 0.00 H new ATOM 0 HG3 GLN B 9 13.378 -5.527 10.376 1.00 0.00 H new ATOM 0 HE21 GLN B 9 12.892 -5.547 8.195 1.00 0.00 H new ATOM 0 HE22 GLN B 9 12.616 -4.086 7.240 1.00 0.00 H new ATOM 1683 N ILE B 10 10.830 -1.559 11.171 1.00 0.00 N ATOM 1684 CA ILE B 10 10.296 -0.480 10.359 1.00 0.00 C ATOM 1685 C ILE B 10 11.360 0.568 10.066 1.00 0.00 C ATOM 1686 O ILE B 10 12.218 0.852 10.903 1.00 0.00 O ATOM 1687 CB ILE B 10 9.088 0.202 11.029 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.331 -0.783 11.925 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.164 0.774 9.969 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.583 -1.857 11.161 1.00 0.00 C ATOM 0 H ILE B 10 11.075 -1.294 12.125 1.00 0.00 H new ATOM 0 HA ILE B 10 9.966 -0.933 9.424 1.00 0.00 H new ATOM 0 HB ILE B 10 9.453 1.014 11.657 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.039 -1.259 12.604 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.623 -0.229 12.541 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.312 1.255 10.450 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.705 1.508 9.372 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.810 -0.029 9.323 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.073 -2.515 11.864 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.850 -1.391 10.502 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.288 -2.438 10.566 1.00 0.00 H new ATOM 1702 N THR B 11 11.294 1.135 8.872 1.00 0.00 N ATOM 1703 CA THR B 11 12.247 2.154 8.450 1.00 0.00 C ATOM 1704 C THR B 11 11.532 3.465 8.140 1.00 0.00 C ATOM 1705 O THR B 11 10.964 3.634 7.061 1.00 0.00 O ATOM 1706 CB THR B 11 13.022 1.675 7.219 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.756 0.501 7.517 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.996 2.701 6.683 1.00 0.00 C ATOM 0 H THR B 11 10.587 0.906 8.173 1.00 0.00 H new ATOM 0 HA THR B 11 12.948 2.327 9.266 1.00 0.00 H new ATOM 0 HB THR B 11 12.265 1.488 6.457 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.176 0.162 6.699 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.510 2.295 5.812 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.454 3.602 6.397 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.727 2.946 7.454 1.00 0.00 H new ATOM 1716 N LYS B 12 11.562 4.391 9.092 1.00 0.00 N ATOM 1717 CA LYS B 12 10.913 5.685 8.917 1.00 0.00 C ATOM 1718 C LYS B 12 11.690 6.556 7.938 1.00 0.00 C ATOM 1719 O LYS B 12 12.873 6.832 8.136 1.00 0.00 O ATOM 1720 CB LYS B 12 10.777 6.402 10.260 1.00 0.00 C ATOM 1721 CG LYS B 12 9.508 7.232 10.374 1.00 0.00 C ATOM 1722 CD LYS B 12 9.344 7.812 11.769 1.00 0.00 C ATOM 1723 CE LYS B 12 8.603 6.853 12.688 1.00 0.00 C ATOM 1724 NZ LYS B 12 8.855 7.151 14.124 1.00 0.00 N ATOM 0 H LYS B 12 12.028 4.270 9.991 1.00 0.00 H new ATOM 0 HA LYS B 12 9.918 5.509 8.508 1.00 0.00 H new ATOM 0 HB2 LYS B 12 10.793 5.663 11.061 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.641 7.050 10.407 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.534 8.041 9.644 1.00 0.00 H new ATOM 0 HG3 LYS B 12 8.644 6.613 10.133 1.00 0.00 H new ATOM 0 HD2 LYS B 12 10.325 8.035 12.189 1.00 0.00 H new ATOM 0 HD3 LYS B 12 8.800 8.755 11.711 1.00 0.00 H new ATOM 0 HE2 LYS B 12 7.533 6.912 12.488 1.00 0.00 H new ATOM 0 HE3 LYS B 12 8.912 5.831 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 8.332 6.475 14.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 9.873 7.069 14.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 8.537 8.118 14.339 1.00 0.00 H new ATOM 1738 N VAL B 13 11.013 6.985 6.879 1.00 0.00 N ATOM 1739 CA VAL B 13 11.630 7.826 5.862 1.00 0.00 C ATOM 1740 C VAL B 13 10.763 9.041 5.554 1.00 0.00 C ATOM 1741 O VAL B 13 9.933 9.408 6.412 1.00 0.00 O ATOM 1742 CB VAL B 13 11.879 7.040 4.561 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.842 5.891 4.808 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.565 6.529 3.983 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.917 9.612 4.455 1.00 0.00 O ATOM 0 H VAL B 13 10.033 6.763 6.703 1.00 0.00 H new ATOM 0 HA VAL B 13 12.587 8.160 6.263 1.00 0.00 H new ATOM 0 HB VAL B 13 12.331 7.714 3.833 1.00 0.00 H new ATOM 0 HG11 VAL B 13 13.006 5.347 3.878 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.792 6.284 5.171 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.420 5.216 5.553 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.762 5.976 3.064 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.081 5.872 4.705 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.911 7.373 3.765 1.00 0.00 H new TER 1755 VAL B 13