USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 736 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 ASN : amide:sc= 0.924 K(o=2.3,f=-5.5) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 0.0675 K(o=2.3,f=-12!) USER MOD Set 1.3: A 111 SER OG : rot 165:sc= 1.28 USER MOD Set 2.1: A 70 SER OG : rot -170:sc=-0.00684 USER MOD Set 2.2: A 96 THR OG1 : rot -126:sc= 1.44 USER MOD Set 3.1: A 76 SER OG : rot -158:sc= 1.92 USER MOD Set 3.2: A 83 GLN : amide:sc= 0.78 K(o=2.7,f=2) USER MOD Set 4.1: A 82 HIS : no HD1:sc= -0.395 K(o=0.72,f=0.042) USER MOD Set 4.2: A 93 SER OG : rot 80:sc= 1.12 USER MOD Set 5.1: A 54 ASN : amide:sc= 0.388 X(o=0.67,f=1.2) USER MOD Set 5.2: A 64 SER OG : rot -110:sc= 0.286 USER MOD Set 6.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 33 GLN : amide:sc= -1.81 X(o=-1.8,f=-1.7) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 9 ASN : amide:sc= 0.0116 X(o=0.012,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.5!) USER MOD Single : A 17 SER OG : rot 78:sc= 0.152 USER MOD Single : A 19 HIS : no HD1:sc= -0.887 X(o=-0.89,f=-0.71) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 28 SER OG : rot 93:sc= 1.34 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -152:sc= -6.27! (180deg=-8.92!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= -4.34 (180deg=-4.68!) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0383) USER MOD Single : A 57 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1.1) USER MOD Single : A 63 ASN : amide:sc=-0.00317 X(o=-0.0032,f=-0.0032) USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.14 (180deg=-0.689) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 73 SER OG : rot -38:sc= 0.363 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -158:sc= 0.726 USER MOD Single : A 80 SER OG : rot -53:sc= 0.225 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -100:sc= -0.68! USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.0339 USER MOD ----------------------------------------------------------------- ATOM 21 N GLN A 7 -18.562 -4.154 -5.829 1.00 0.86 N ATOM 22 CA GLN A 7 -17.348 -3.765 -5.119 1.00 0.74 C ATOM 23 C GLN A 7 -16.372 -4.919 -5.037 1.00 0.69 C ATOM 24 O GLN A 7 -15.163 -4.722 -4.938 1.00 0.64 O ATOM 25 CB GLN A 7 -17.696 -3.305 -3.717 1.00 0.85 C ATOM 26 CG GLN A 7 -16.512 -3.212 -2.764 1.00 0.75 C ATOM 27 CD GLN A 7 -16.939 -2.824 -1.361 1.00 1.15 C ATOM 28 OE1 GLN A 7 -17.224 -3.683 -0.523 1.00 1.96 O ATOM 29 NE2 GLN A 7 -16.989 -1.532 -1.097 1.00 1.70 N ATOM 0 HA GLN A 7 -16.880 -2.950 -5.672 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -18.173 -2.327 -3.778 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -18.430 -3.992 -3.296 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.996 -4.171 -2.733 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -15.800 -2.479 -3.142 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -16.745 -0.854 -1.819 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -17.272 -1.211 -0.171 1.00 1.70 H new ATOM 38 N ASP A 8 -16.902 -6.123 -5.069 1.00 0.78 N ATOM 39 CA ASP A 8 -16.084 -7.313 -4.983 1.00 0.84 C ATOM 40 C ASP A 8 -15.129 -7.387 -6.165 1.00 0.77 C ATOM 41 O ASP A 8 -13.988 -7.826 -6.034 1.00 0.84 O ATOM 42 CB ASP A 8 -16.964 -8.560 -4.929 1.00 1.01 C ATOM 43 CG ASP A 8 -17.701 -8.818 -6.233 1.00 1.83 C ATOM 44 OD1 ASP A 8 -17.547 -9.921 -6.796 1.00 1.78 O ATOM 45 OD2 ASP A 8 -18.416 -7.906 -6.717 1.00 2.81 O ATOM 0 H ASP A 8 -17.902 -6.304 -5.155 1.00 0.78 H new ATOM 0 HA ASP A 8 -15.496 -7.264 -4.067 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -16.346 -9.425 -4.689 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -17.689 -8.453 -4.122 1.00 1.01 H new ATOM 50 N ASN A 9 -15.601 -6.938 -7.311 1.00 0.72 N ATOM 51 CA ASN A 9 -14.766 -6.843 -8.494 1.00 0.70 C ATOM 52 C ASN A 9 -14.007 -5.533 -8.477 1.00 0.55 C ATOM 53 O ASN A 9 -12.846 -5.460 -8.882 1.00 0.53 O ATOM 54 CB ASN A 9 -15.619 -6.914 -9.757 1.00 0.80 C ATOM 55 CG ASN A 9 -16.058 -8.326 -10.098 1.00 1.28 C ATOM 56 OD1 ASN A 9 -15.381 -9.034 -10.845 1.00 2.04 O ATOM 57 ND2 ASN A 9 -17.190 -8.751 -9.557 1.00 1.78 N ATOM 0 H ASN A 9 -16.564 -6.631 -7.449 1.00 0.72 H new ATOM 0 HA ASN A 9 -14.065 -7.677 -8.493 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.501 -6.286 -9.629 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -15.054 -6.503 -10.594 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -17.527 -9.693 -9.755 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -17.724 -8.136 -8.943 1.00 1.78 H new ATOM 64 N ALA A 10 -14.676 -4.506 -7.979 1.00 0.51 N ATOM 65 CA ALA A 10 -14.123 -3.164 -7.947 1.00 0.45 C ATOM 66 C ALA A 10 -12.860 -3.118 -7.134 1.00 0.38 C ATOM 67 O ALA A 10 -11.848 -2.632 -7.604 1.00 0.35 O ATOM 68 CB ALA A 10 -15.109 -2.189 -7.354 1.00 0.49 C ATOM 0 H ALA A 10 -15.615 -4.580 -7.587 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.904 -2.885 -8.978 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.671 -1.191 -7.341 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -16.018 -2.179 -7.956 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.352 -2.492 -6.335 1.00 0.49 H new ATOM 74 N ARG A 11 -12.939 -3.630 -5.914 1.00 0.41 N ATOM 75 CA ARG A 11 -11.821 -3.602 -4.982 1.00 0.44 C ATOM 76 C ARG A 11 -10.551 -4.070 -5.662 1.00 0.35 C ATOM 77 O ARG A 11 -9.531 -3.394 -5.625 1.00 0.41 O ATOM 78 CB ARG A 11 -12.111 -4.485 -3.775 1.00 0.54 C ATOM 79 CG ARG A 11 -12.458 -5.912 -4.144 1.00 1.44 C ATOM 80 CD ARG A 11 -12.890 -6.702 -2.937 1.00 1.95 C ATOM 81 NE ARG A 11 -14.228 -6.340 -2.474 1.00 2.91 N ATOM 82 CZ ARG A 11 -14.808 -6.899 -1.412 1.00 3.53 C ATOM 83 NH1 ARG A 11 -14.119 -7.741 -0.652 1.00 3.46 N ATOM 84 NH2 ARG A 11 -16.060 -6.601 -1.094 1.00 4.41 N ATOM 0 H ARG A 11 -13.778 -4.076 -5.543 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.685 -2.574 -4.646 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -11.240 -4.489 -3.119 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -12.936 -4.053 -3.208 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -13.256 -5.914 -4.886 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -11.594 -6.391 -4.604 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -12.869 -7.765 -3.177 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -12.175 -6.543 -2.129 1.00 1.95 H new ATOM 0 HE ARG A 11 -14.743 -5.625 -2.988 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -13.149 -7.958 -0.881 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -14.559 -8.171 0.162 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -16.587 -5.939 -1.664 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -16.496 -7.033 -0.280 1.00 4.41 H new ATOM 98 N LYS A 12 -10.643 -5.209 -6.318 1.00 0.28 N ATOM 99 CA LYS A 12 -9.517 -5.787 -7.007 1.00 0.27 C ATOM 100 C LYS A 12 -8.913 -4.785 -7.973 1.00 0.23 C ATOM 101 O LYS A 12 -7.709 -4.607 -8.001 1.00 0.37 O ATOM 102 CB LYS A 12 -9.959 -7.027 -7.776 1.00 0.37 C ATOM 103 CG LYS A 12 -8.811 -7.870 -8.269 1.00 0.49 C ATOM 104 CD LYS A 12 -8.280 -8.756 -7.160 1.00 0.94 C ATOM 105 CE LYS A 12 -7.027 -9.474 -7.600 1.00 0.88 C ATOM 106 NZ LYS A 12 -6.505 -10.393 -6.554 1.00 1.56 N ATOM 0 H LYS A 12 -11.501 -5.756 -6.386 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.766 -6.064 -6.267 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -10.596 -7.635 -7.134 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.566 -6.719 -8.628 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -9.139 -8.485 -9.107 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -8.014 -7.226 -8.640 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -8.068 -8.153 -6.277 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -9.040 -9.483 -6.874 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -7.236 -10.041 -8.507 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -6.260 -8.741 -7.852 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -5.645 -10.863 -6.902 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -6.280 -9.850 -5.696 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -7.225 -11.110 -6.331 1.00 1.56 H new ATOM 120 N SER A 13 -9.763 -4.094 -8.715 1.00 0.21 N ATOM 121 CA SER A 13 -9.305 -3.222 -9.782 1.00 0.24 C ATOM 122 C SER A 13 -8.940 -1.832 -9.261 1.00 0.24 C ATOM 123 O SER A 13 -7.886 -1.288 -9.597 1.00 0.28 O ATOM 124 CB SER A 13 -10.399 -3.132 -10.842 1.00 0.30 C ATOM 125 OG SER A 13 -10.619 -4.397 -11.444 1.00 0.90 O ATOM 0 H SER A 13 -10.776 -4.121 -8.597 1.00 0.21 H new ATOM 0 HA SER A 13 -8.398 -3.642 -10.217 1.00 0.24 H new ATOM 0 HB2 SER A 13 -11.323 -2.774 -10.388 1.00 0.30 H new ATOM 0 HB3 SER A 13 -10.115 -2.406 -11.604 1.00 0.30 H new ATOM 0 HG SER A 13 -11.325 -4.320 -12.119 1.00 0.90 H new ATOM 131 N ARG A 14 -9.809 -1.276 -8.425 1.00 0.25 N ATOM 132 CA ARG A 14 -9.616 0.060 -7.877 1.00 0.30 C ATOM 133 C ARG A 14 -8.346 0.125 -7.046 1.00 0.24 C ATOM 134 O ARG A 14 -7.646 1.138 -7.044 1.00 0.30 O ATOM 135 CB ARG A 14 -10.814 0.472 -7.014 1.00 0.37 C ATOM 136 CG ARG A 14 -10.993 -0.415 -5.803 1.00 0.36 C ATOM 137 CD ARG A 14 -11.892 0.205 -4.753 1.00 0.52 C ATOM 138 NE ARG A 14 -13.263 0.402 -5.232 1.00 1.14 N ATOM 139 CZ ARG A 14 -13.789 1.602 -5.506 1.00 1.41 C ATOM 140 NH1 ARG A 14 -13.081 2.706 -5.298 1.00 1.66 N ATOM 141 NH2 ARG A 14 -15.029 1.699 -5.964 1.00 2.05 N ATOM 0 H ARG A 14 -10.663 -1.736 -8.110 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.527 0.751 -8.715 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -10.684 1.504 -6.687 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -11.720 0.441 -7.619 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -11.413 -1.371 -6.117 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.018 -0.624 -5.363 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.908 -0.434 -3.870 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -11.477 1.165 -4.445 1.00 0.52 H new ATOM 0 HE ARG A 14 -13.850 -0.422 -5.364 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -12.133 2.642 -4.928 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -13.486 3.618 -5.508 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -15.586 0.857 -6.109 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -15.426 2.615 -6.171 1.00 2.05 H new ATOM 155 N ILE A 15 -8.048 -0.956 -6.339 1.00 0.17 N ATOM 156 CA ILE A 15 -6.846 -1.012 -5.553 1.00 0.15 C ATOM 157 C ILE A 15 -5.674 -1.250 -6.465 1.00 0.13 C ATOM 158 O ILE A 15 -4.685 -0.558 -6.384 1.00 0.13 O ATOM 159 CB ILE A 15 -6.883 -2.140 -4.520 1.00 0.19 C ATOM 160 CG1 ILE A 15 -8.085 -1.975 -3.589 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.598 -2.139 -3.712 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.330 -3.177 -2.713 1.00 0.34 C ATOM 0 H ILE A 15 -8.625 -1.796 -6.300 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.756 -0.063 -5.024 1.00 0.15 H new ATOM 0 HB ILE A 15 -6.978 -3.091 -5.044 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -7.930 -1.100 -2.958 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -8.976 -1.783 -4.187 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.629 -2.944 -2.978 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.749 -2.289 -4.379 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.492 -1.183 -3.198 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -9.196 -2.994 -2.078 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.516 -4.051 -3.338 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.454 -3.357 -2.089 1.00 0.34 H new ATOM 174 N GLN A 16 -5.829 -2.228 -7.344 1.00 0.15 N ATOM 175 CA GLN A 16 -4.777 -2.675 -8.240 1.00 0.20 C ATOM 176 C GLN A 16 -4.101 -1.541 -8.998 1.00 0.21 C ATOM 177 O GLN A 16 -2.869 -1.493 -9.061 1.00 0.24 O ATOM 178 CB GLN A 16 -5.363 -3.672 -9.213 1.00 0.25 C ATOM 179 CG GLN A 16 -4.840 -5.073 -9.001 1.00 0.40 C ATOM 180 CD GLN A 16 -5.384 -6.069 -10.005 1.00 1.08 C ATOM 181 OE1 GLN A 16 -5.554 -7.247 -9.695 1.00 1.85 O ATOM 182 NE2 GLN A 16 -5.646 -5.610 -11.218 1.00 1.71 N ATOM 0 H GLN A 16 -6.704 -2.741 -7.456 1.00 0.15 H new ATOM 0 HA GLN A 16 -3.999 -3.133 -7.629 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.448 -3.675 -9.113 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.137 -3.355 -10.231 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -3.752 -5.061 -9.063 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -5.099 -5.403 -7.995 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -5.491 -4.625 -11.435 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -6.003 -6.241 -11.936 1.00 1.71 H new ATOM 191 N SER A 17 -4.891 -0.635 -9.568 1.00 0.23 N ATOM 192 CA SER A 17 -4.334 0.487 -10.310 1.00 0.28 C ATOM 193 C SER A 17 -3.380 1.283 -9.431 1.00 0.25 C ATOM 194 O SER A 17 -2.310 1.698 -9.865 1.00 0.34 O ATOM 195 CB SER A 17 -5.458 1.386 -10.829 1.00 0.33 C ATOM 196 OG SER A 17 -6.395 0.636 -11.584 1.00 1.04 O ATOM 0 H SER A 17 -5.910 -0.657 -9.530 1.00 0.23 H new ATOM 0 HA SER A 17 -3.775 0.100 -11.162 1.00 0.28 H new ATOM 0 HB2 SER A 17 -5.962 1.867 -9.990 1.00 0.33 H new ATOM 0 HB3 SER A 17 -5.039 2.180 -11.447 1.00 0.33 H new ATOM 0 HG SER A 17 -6.984 0.142 -10.976 1.00 1.04 H new ATOM 202 N GLU A 18 -3.765 1.448 -8.182 1.00 0.19 N ATOM 203 CA GLU A 18 -2.981 2.198 -7.223 1.00 0.20 C ATOM 204 C GLU A 18 -1.938 1.317 -6.555 1.00 0.16 C ATOM 205 O GLU A 18 -0.845 1.764 -6.267 1.00 0.17 O ATOM 206 CB GLU A 18 -3.913 2.786 -6.195 1.00 0.28 C ATOM 207 CG GLU A 18 -5.005 3.594 -6.846 1.00 0.37 C ATOM 208 CD GLU A 18 -4.523 4.925 -7.364 1.00 1.43 C ATOM 209 OE1 GLU A 18 -3.789 4.937 -8.365 1.00 2.36 O ATOM 210 OE2 GLU A 18 -4.895 5.969 -6.791 1.00 1.76 O ATOM 0 H GLU A 18 -4.631 1.065 -7.803 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.447 2.995 -7.741 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.354 1.986 -5.601 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.349 3.418 -5.509 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -5.431 3.022 -7.670 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.806 3.759 -6.126 1.00 0.37 H new ATOM 217 N HIS A 19 -2.295 0.067 -6.305 1.00 0.15 N ATOM 218 CA HIS A 19 -1.396 -0.904 -5.702 1.00 0.14 C ATOM 219 C HIS A 19 -0.067 -0.879 -6.424 1.00 0.13 C ATOM 220 O HIS A 19 0.948 -0.662 -5.790 1.00 0.13 O ATOM 221 CB HIS A 19 -2.049 -2.304 -5.701 1.00 0.15 C ATOM 222 CG HIS A 19 -1.098 -3.452 -5.567 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.315 -3.673 -4.456 1.00 0.26 N ATOM 224 CD2 HIS A 19 -0.826 -4.459 -6.423 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.397 -4.769 -4.639 1.00 0.35 C ATOM 226 NE2 HIS A 19 0.104 -5.267 -5.824 1.00 0.36 N ATOM 0 H HIS A 19 -3.221 -0.304 -6.516 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.206 -0.645 -4.660 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.768 -2.351 -4.883 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.611 -2.425 -6.627 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.262 -4.602 -7.401 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.102 -5.188 -3.936 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.504 -6.114 -6.228 1.00 0.36 H new ATOM 235 N ARG A 20 -0.096 -1.017 -7.744 1.00 0.14 N ATOM 236 CA ARG A 20 1.119 -0.929 -8.553 1.00 0.14 C ATOM 237 C ARG A 20 1.872 0.370 -8.259 1.00 0.12 C ATOM 238 O ARG A 20 3.092 0.367 -8.104 1.00 0.15 O ATOM 239 CB ARG A 20 0.761 -0.997 -10.036 1.00 0.19 C ATOM 240 CG ARG A 20 0.177 -2.331 -10.464 1.00 0.25 C ATOM 241 CD ARG A 20 1.247 -3.274 -11.001 1.00 0.90 C ATOM 242 NE ARG A 20 2.236 -3.646 -9.985 1.00 2.11 N ATOM 243 CZ ARG A 20 3.546 -3.394 -10.082 1.00 2.93 C ATOM 244 NH1 ARG A 20 4.026 -2.724 -11.121 1.00 2.80 N ATOM 245 NH2 ARG A 20 4.377 -3.818 -9.138 1.00 4.14 N ATOM 0 H ARG A 20 -0.947 -1.190 -8.279 1.00 0.14 H new ATOM 0 HA ARG A 20 1.766 -1.769 -8.298 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.045 -0.207 -10.264 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.655 -0.796 -10.626 1.00 0.19 H new ATOM 0 HG2 ARG A 20 -0.325 -2.797 -9.616 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -0.580 -2.167 -11.231 1.00 0.25 H new ATOM 0 HD2 ARG A 20 0.771 -4.176 -11.386 1.00 0.90 H new ATOM 0 HD3 ARG A 20 1.755 -2.799 -11.840 1.00 0.90 H new ATOM 0 HE ARG A 20 1.904 -4.128 -9.150 1.00 2.11 H new ATOM 0 HH11 ARG A 20 3.395 -2.397 -11.853 1.00 2.80 H new ATOM 0 HH12 ARG A 20 5.026 -2.535 -11.188 1.00 2.80 H new ATOM 0 HH21 ARG A 20 4.017 -4.337 -8.337 1.00 4.14 H new ATOM 0 HH22 ARG A 20 5.376 -3.625 -9.213 1.00 4.14 H new ATOM 259 N GLU A 21 1.124 1.471 -8.165 1.00 0.14 N ATOM 260 CA GLU A 21 1.685 2.775 -7.821 1.00 0.14 C ATOM 261 C GLU A 21 2.400 2.725 -6.471 1.00 0.11 C ATOM 262 O GLU A 21 3.545 3.147 -6.358 1.00 0.13 O ATOM 263 CB GLU A 21 0.573 3.832 -7.750 1.00 0.20 C ATOM 264 CG GLU A 21 -0.343 3.883 -8.957 1.00 0.33 C ATOM 265 CD GLU A 21 0.385 4.305 -10.213 1.00 0.52 C ATOM 266 OE1 GLU A 21 1.221 5.227 -10.143 1.00 0.98 O ATOM 267 OE2 GLU A 21 0.102 3.731 -11.282 1.00 0.82 O ATOM 0 H GLU A 21 0.117 1.482 -8.325 1.00 0.14 H new ATOM 0 HA GLU A 21 2.402 3.041 -8.598 1.00 0.14 H new ATOM 0 HB2 GLU A 21 -0.031 3.643 -6.863 1.00 0.20 H new ATOM 0 HB3 GLU A 21 1.032 4.812 -7.620 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.791 2.901 -9.112 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -1.159 4.579 -8.762 1.00 0.33 H new ATOM 274 N LEU A 22 1.717 2.206 -5.453 1.00 0.10 N ATOM 275 CA LEU A 22 2.254 2.207 -4.092 1.00 0.09 C ATOM 276 C LEU A 22 3.514 1.365 -3.978 1.00 0.09 C ATOM 277 O LEU A 22 4.402 1.683 -3.193 1.00 0.12 O ATOM 278 CB LEU A 22 1.219 1.736 -3.059 1.00 0.10 C ATOM 279 CG LEU A 22 0.165 2.771 -2.652 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.806 4.139 -2.471 1.00 0.18 C ATOM 281 CD2 LEU A 22 -0.945 2.851 -3.668 1.00 0.22 C ATOM 0 H LEU A 22 0.794 1.781 -5.543 1.00 0.10 H new ATOM 0 HA LEU A 22 2.509 3.244 -3.872 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.706 0.861 -3.459 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.749 1.413 -2.163 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.266 2.451 -1.703 1.00 0.15 H new ATOM 0 HD11 LEU A 22 0.044 4.863 -2.182 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.568 4.084 -1.693 1.00 0.18 H new ATOM 0 HD13 LEU A 22 1.267 4.452 -3.408 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.676 3.594 -3.350 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.533 3.138 -4.635 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.430 1.879 -3.755 1.00 0.22 H new ATOM 293 N VAL A 23 3.611 0.293 -4.748 1.00 0.08 N ATOM 294 CA VAL A 23 4.813 -0.507 -4.709 1.00 0.09 C ATOM 295 C VAL A 23 5.903 0.143 -5.554 1.00 0.11 C ATOM 296 O VAL A 23 7.085 0.067 -5.217 1.00 0.12 O ATOM 297 CB VAL A 23 4.582 -1.975 -5.120 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.142 -2.251 -5.508 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.509 -2.379 -6.235 1.00 0.12 C ATOM 0 H VAL A 23 2.889 -0.033 -5.391 1.00 0.08 H new ATOM 0 HA VAL A 23 5.140 -0.541 -3.670 1.00 0.09 H new ATOM 0 HB VAL A 23 4.803 -2.580 -4.240 1.00 0.11 H new ATOM 0 HG11 VAL A 23 3.035 -3.299 -5.788 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.489 -2.033 -4.663 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.865 -1.619 -6.352 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.323 -3.419 -6.504 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.333 -1.743 -7.103 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.543 -2.268 -5.907 1.00 0.12 H new ATOM 309 N SER A 24 5.496 0.805 -6.633 1.00 0.12 N ATOM 310 CA SER A 24 6.411 1.638 -7.401 1.00 0.15 C ATOM 311 C SER A 24 6.989 2.705 -6.478 1.00 0.13 C ATOM 312 O SER A 24 8.128 3.147 -6.630 1.00 0.15 O ATOM 313 CB SER A 24 5.673 2.299 -8.570 1.00 0.19 C ATOM 314 OG SER A 24 6.569 2.964 -9.445 1.00 0.74 O ATOM 0 H SER A 24 4.542 0.780 -6.993 1.00 0.12 H new ATOM 0 HA SER A 24 7.214 1.023 -7.808 1.00 0.15 H new ATOM 0 HB2 SER A 24 5.117 1.543 -9.124 1.00 0.19 H new ATOM 0 HB3 SER A 24 4.944 3.012 -8.184 1.00 0.19 H new ATOM 0 HG SER A 24 6.066 3.373 -10.180 1.00 0.74 H new ATOM 320 N ALA A 25 6.187 3.080 -5.495 1.00 0.10 N ATOM 321 CA ALA A 25 6.588 4.068 -4.509 1.00 0.09 C ATOM 322 C ALA A 25 7.435 3.425 -3.428 1.00 0.08 C ATOM 323 O ALA A 25 8.350 4.053 -2.914 1.00 0.08 O ATOM 324 CB ALA A 25 5.373 4.721 -3.889 1.00 0.12 C ATOM 0 H ALA A 25 5.246 2.711 -5.359 1.00 0.10 H new ATOM 0 HA ALA A 25 7.180 4.832 -5.013 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.692 5.458 -3.153 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.788 5.214 -4.666 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.761 3.962 -3.401 1.00 0.12 H new ATOM 330 N ILE A 26 7.127 2.176 -3.078 1.00 0.08 N ATOM 331 CA ILE A 26 7.937 1.440 -2.128 1.00 0.08 C ATOM 332 C ILE A 26 9.371 1.363 -2.621 1.00 0.09 C ATOM 333 O ILE A 26 10.306 1.704 -1.904 1.00 0.12 O ATOM 334 CB ILE A 26 7.392 0.008 -1.881 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.471 -0.003 -0.673 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.515 -1.000 -1.683 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.153 -1.398 -0.193 1.00 0.20 C ATOM 0 H ILE A 26 6.325 1.661 -3.440 1.00 0.08 H new ATOM 0 HA ILE A 26 7.897 1.977 -1.180 1.00 0.08 H new ATOM 0 HB ILE A 26 6.832 -0.285 -2.769 1.00 0.11 H new ATOM 0 HG12 ILE A 26 6.936 0.558 0.138 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.543 0.510 -0.925 1.00 0.18 H new ATOM 0 HG21 ILE A 26 8.090 -1.989 -1.513 1.00 0.15 H new ATOM 0 HG22 ILE A 26 9.144 -1.023 -2.573 1.00 0.15 H new ATOM 0 HG23 ILE A 26 9.116 -0.710 -0.821 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.492 -1.343 0.672 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.661 -1.954 -0.991 1.00 0.20 H new ATOM 0 HD13 ILE A 26 7.076 -1.905 0.088 1.00 0.20 H new ATOM 349 N GLN A 27 9.519 0.950 -3.868 1.00 0.09 N ATOM 350 CA GLN A 27 10.825 0.781 -4.477 1.00 0.11 C ATOM 351 C GLN A 27 11.558 2.120 -4.543 1.00 0.13 C ATOM 352 O GLN A 27 12.788 2.180 -4.516 1.00 0.17 O ATOM 353 CB GLN A 27 10.647 0.177 -5.869 1.00 0.11 C ATOM 354 CG GLN A 27 9.900 -1.143 -5.846 1.00 0.13 C ATOM 355 CD GLN A 27 9.757 -1.761 -7.220 1.00 0.19 C ATOM 356 OE1 GLN A 27 8.784 -1.507 -7.932 1.00 0.99 O ATOM 357 NE2 GLN A 27 10.723 -2.580 -7.603 1.00 1.25 N ATOM 0 H GLN A 27 8.739 0.723 -4.485 1.00 0.09 H new ATOM 0 HA GLN A 27 11.432 0.106 -3.873 1.00 0.11 H new ATOM 0 HB2 GLN A 27 10.108 0.883 -6.500 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.627 0.027 -6.323 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.424 -1.840 -5.192 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.910 -0.987 -5.418 1.00 0.13 H new ATOM 0 HE21 GLN A 27 11.512 -2.764 -6.983 1.00 1.25 H new ATOM 0 HE22 GLN A 27 10.679 -3.028 -8.518 1.00 1.25 H new ATOM 366 N SER A 28 10.776 3.186 -4.602 1.00 0.13 N ATOM 367 CA SER A 28 11.293 4.540 -4.591 1.00 0.16 C ATOM 368 C SER A 28 11.684 4.965 -3.165 1.00 0.18 C ATOM 369 O SER A 28 12.821 5.365 -2.916 1.00 0.22 O ATOM 370 CB SER A 28 10.218 5.459 -5.170 1.00 0.16 C ATOM 371 OG SER A 28 9.958 5.135 -6.527 1.00 0.68 O ATOM 0 H SER A 28 9.759 3.133 -4.659 1.00 0.13 H new ATOM 0 HA SER A 28 12.197 4.603 -5.197 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.302 5.367 -4.587 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.541 6.497 -5.094 1.00 0.16 H new ATOM 0 HG SER A 28 9.218 4.494 -6.574 1.00 0.68 H new ATOM 377 N TYR A 29 10.728 4.857 -2.242 1.00 0.16 N ATOM 378 CA TYR A 29 10.935 5.148 -0.823 1.00 0.19 C ATOM 379 C TYR A 29 12.147 4.398 -0.291 1.00 0.24 C ATOM 380 O TYR A 29 13.071 4.991 0.260 1.00 0.28 O ATOM 381 CB TYR A 29 9.674 4.720 -0.053 1.00 0.15 C ATOM 382 CG TYR A 29 9.640 5.036 1.439 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.456 4.875 2.147 1.00 0.17 C ATOM 384 CD2 TYR A 29 10.759 5.475 2.140 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.383 5.137 3.502 1.00 0.22 C ATOM 386 CE2 TYR A 29 10.691 5.738 3.491 1.00 0.27 C ATOM 387 CZ TYR A 29 9.504 5.570 4.168 1.00 0.22 C ATOM 388 OH TYR A 29 9.444 5.837 5.517 1.00 0.32 O ATOM 0 H TYR A 29 9.777 4.561 -2.461 1.00 0.16 H new ATOM 0 HA TYR A 29 11.116 6.215 -0.692 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.812 5.196 -0.521 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.550 3.644 -0.176 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.572 4.537 1.627 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.694 5.612 1.618 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.452 5.002 4.033 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.570 6.076 4.019 1.00 0.27 H new ATOM 0 HH TYR A 29 10.324 6.132 5.832 1.00 0.32 H new ATOM 398 N ILE A 30 12.128 3.094 -0.467 1.00 0.25 N ATOM 399 CA ILE A 30 13.150 2.227 0.077 1.00 0.32 C ATOM 400 C ILE A 30 14.525 2.540 -0.491 1.00 0.38 C ATOM 401 O ILE A 30 15.516 2.535 0.237 1.00 0.44 O ATOM 402 CB ILE A 30 12.778 0.766 -0.184 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.482 0.457 0.568 1.00 0.28 C ATOM 404 CG2 ILE A 30 13.910 -0.161 0.217 1.00 0.40 C ATOM 405 CD1 ILE A 30 11.028 -0.972 0.472 1.00 0.29 C ATOM 0 H ILE A 30 11.403 2.605 -0.992 1.00 0.25 H new ATOM 0 HA ILE A 30 13.203 2.402 1.152 1.00 0.32 H new ATOM 0 HB ILE A 30 12.615 0.603 -1.249 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.618 0.711 1.619 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.692 1.102 0.184 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.621 -1.194 0.022 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.801 0.082 -0.361 1.00 0.40 H new ATOM 0 HG23 ILE A 30 14.122 -0.038 1.279 1.00 0.40 H new ATOM 0 HD11 ILE A 30 10.103 -1.098 1.034 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.855 -1.230 -0.573 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.796 -1.626 0.885 1.00 0.29 H new ATOM 417 N GLY A 31 14.578 2.852 -1.777 1.00 0.38 N ATOM 418 CA GLY A 31 15.846 3.179 -2.398 1.00 0.47 C ATOM 419 C GLY A 31 16.375 4.516 -1.922 1.00 0.50 C ATOM 420 O GLY A 31 17.541 4.848 -2.132 1.00 0.57 O ATOM 0 H GLY A 31 13.771 2.885 -2.400 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.573 2.399 -2.173 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.726 3.200 -3.481 1.00 0.47 H new ATOM 424 N ALA A 32 15.507 5.277 -1.270 1.00 0.48 N ATOM 425 CA ALA A 32 15.863 6.575 -0.728 1.00 0.51 C ATOM 426 C ALA A 32 16.232 6.468 0.739 1.00 0.54 C ATOM 427 O ALA A 32 16.969 7.305 1.266 1.00 0.60 O ATOM 428 CB ALA A 32 14.701 7.534 -0.879 1.00 0.46 C ATOM 0 H ALA A 32 14.537 5.009 -1.103 1.00 0.48 H new ATOM 0 HA ALA A 32 16.725 6.947 -1.282 1.00 0.51 H new ATOM 0 HB1 ALA A 32 14.976 8.506 -0.470 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.453 7.642 -1.935 1.00 0.46 H new ATOM 0 HB3 ALA A 32 13.836 7.145 -0.341 1.00 0.46 H new ATOM 434 N GLN A 33 15.699 5.441 1.395 1.00 0.50 N ATOM 435 CA GLN A 33 15.878 5.258 2.815 1.00 0.53 C ATOM 436 C GLN A 33 17.333 5.209 3.233 1.00 0.65 C ATOM 437 O GLN A 33 18.229 4.941 2.428 1.00 0.70 O ATOM 438 CB GLN A 33 15.202 3.984 3.257 1.00 0.50 C ATOM 439 CG GLN A 33 13.724 4.154 3.454 1.00 0.42 C ATOM 440 CD GLN A 33 13.380 4.503 4.892 1.00 0.44 C ATOM 441 OE1 GLN A 33 14.142 5.188 5.569 1.00 1.04 O ATOM 442 NE2 GLN A 33 12.247 4.023 5.376 1.00 1.19 N ATOM 0 H GLN A 33 15.133 4.718 0.950 1.00 0.50 H new ATOM 0 HA GLN A 33 15.428 6.127 3.296 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.379 3.206 2.514 1.00 0.50 H new ATOM 0 HB3 GLN A 33 15.652 3.642 4.189 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.358 4.939 2.792 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.212 3.234 3.171 1.00 0.42 H new ATOM 0 HE21 GLN A 33 11.639 3.458 4.784 1.00 1.19 H new ATOM 0 HE22 GLN A 33 11.981 4.218 6.341 1.00 1.19 H new ATOM 451 N ASP A 34 17.544 5.450 4.515 1.00 0.72 N ATOM 452 CA ASP A 34 18.863 5.350 5.110 1.00 0.85 C ATOM 453 C ASP A 34 19.296 3.899 5.116 1.00 0.88 C ATOM 454 O ASP A 34 20.476 3.572 4.991 1.00 0.99 O ATOM 455 CB ASP A 34 18.833 5.892 6.532 1.00 0.90 C ATOM 456 CG ASP A 34 20.195 6.354 7.007 1.00 1.06 C ATOM 457 OD1 ASP A 34 20.995 5.516 7.470 1.00 1.14 O ATOM 458 OD2 ASP A 34 20.467 7.569 6.928 1.00 1.22 O ATOM 0 H ASP A 34 16.809 5.719 5.169 1.00 0.72 H new ATOM 0 HA ASP A 34 19.572 5.938 4.528 1.00 0.85 H new ATOM 0 HB2 ASP A 34 18.132 6.725 6.585 1.00 0.90 H new ATOM 0 HB3 ASP A 34 18.461 5.119 7.204 1.00 0.90 H new ATOM 463 N ASP A 35 18.306 3.038 5.245 1.00 0.82 N ATOM 464 CA ASP A 35 18.513 1.600 5.165 1.00 0.89 C ATOM 465 C ASP A 35 17.461 1.004 4.253 1.00 0.80 C ATOM 466 O ASP A 35 16.334 0.750 4.675 1.00 0.77 O ATOM 467 CB ASP A 35 18.422 0.901 6.530 1.00 0.99 C ATOM 468 CG ASP A 35 19.014 1.700 7.672 1.00 1.60 C ATOM 469 OD1 ASP A 35 18.295 2.537 8.260 1.00 2.19 O ATOM 470 OD2 ASP A 35 20.196 1.477 8.008 1.00 1.95 O ATOM 0 H ASP A 35 17.337 3.311 5.408 1.00 0.82 H new ATOM 0 HA ASP A 35 19.521 1.443 4.781 1.00 0.89 H new ATOM 0 HB2 ASP A 35 17.375 0.692 6.751 1.00 0.99 H new ATOM 0 HB3 ASP A 35 18.933 -0.060 6.469 1.00 0.99 H new ATOM 475 N PRO A 36 17.810 0.774 2.987 1.00 0.79 N ATOM 476 CA PRO A 36 16.927 0.135 2.008 1.00 0.72 C ATOM 477 C PRO A 36 16.819 -1.348 2.275 1.00 0.77 C ATOM 478 O PRO A 36 16.206 -2.099 1.527 1.00 0.77 O ATOM 479 CB PRO A 36 17.674 0.378 0.704 1.00 0.73 C ATOM 480 CG PRO A 36 19.083 0.295 1.132 1.00 0.84 C ATOM 481 CD PRO A 36 19.105 1.117 2.374 1.00 0.85 C ATOM 0 HA PRO A 36 15.907 0.520 2.020 1.00 0.72 H new ATOM 0 HB2 PRO A 36 17.432 -0.372 -0.049 1.00 0.73 H new ATOM 0 HB3 PRO A 36 17.436 1.351 0.273 1.00 0.73 H new ATOM 0 HG2 PRO A 36 19.387 -0.734 1.324 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.759 0.691 0.374 1.00 0.84 H new ATOM 0 HD2 PRO A 36 19.944 0.859 3.020 1.00 0.85 H new ATOM 0 HD3 PRO A 36 19.185 2.182 2.158 1.00 0.85 H new ATOM 489 N THR A 37 17.473 -1.749 3.336 1.00 0.84 N ATOM 490 CA THR A 37 17.621 -3.133 3.683 1.00 0.90 C ATOM 491 C THR A 37 16.453 -3.615 4.524 1.00 0.89 C ATOM 492 O THR A 37 16.060 -4.783 4.468 1.00 0.91 O ATOM 493 CB THR A 37 18.941 -3.310 4.448 1.00 1.03 C ATOM 494 OG1 THR A 37 18.822 -2.759 5.770 1.00 1.07 O ATOM 495 CG2 THR A 37 20.058 -2.576 3.722 1.00 1.06 C ATOM 0 H THR A 37 17.923 -1.110 3.991 1.00 0.84 H new ATOM 0 HA THR A 37 17.636 -3.731 2.772 1.00 0.90 H new ATOM 0 HB THR A 37 19.167 -4.375 4.508 1.00 1.03 H new ATOM 0 HG1 THR A 37 19.667 -2.878 6.251 1.00 1.07 H new ATOM 0 HG21 THR A 37 20.993 -2.704 4.268 1.00 1.06 H new ATOM 0 HG22 THR A 37 20.167 -2.982 2.716 1.00 1.06 H new ATOM 0 HG23 THR A 37 19.816 -1.515 3.661 1.00 1.06 H new ATOM 503 N ASN A 38 15.899 -2.698 5.289 1.00 0.87 N ATOM 504 CA ASN A 38 14.753 -2.986 6.130 1.00 0.88 C ATOM 505 C ASN A 38 14.082 -1.695 6.593 1.00 0.80 C ATOM 506 O ASN A 38 14.009 -1.420 7.791 1.00 0.86 O ATOM 507 CB ASN A 38 15.212 -3.794 7.328 1.00 1.05 C ATOM 508 CG ASN A 38 14.059 -4.412 8.100 1.00 1.02 C ATOM 509 OD1 ASN A 38 13.011 -4.723 7.531 1.00 1.43 O ATOM 510 ND2 ASN A 38 14.239 -4.597 9.399 1.00 1.64 N ATOM 0 H ASN A 38 16.228 -1.734 5.346 1.00 0.87 H new ATOM 0 HA ASN A 38 14.023 -3.557 5.556 1.00 0.88 H new ATOM 0 HB2 ASN A 38 15.883 -4.585 6.991 1.00 1.05 H new ATOM 0 HB3 ASN A 38 15.786 -3.151 7.995 1.00 1.05 H new ATOM 0 HD21 ASN A 38 13.496 -5.010 9.963 1.00 1.64 H new ATOM 0 HD22 ASN A 38 15.121 -4.327 9.835 1.00 1.64 H new ATOM 517 N PRO A 39 13.610 -0.871 5.642 1.00 0.68 N ATOM 518 CA PRO A 39 12.932 0.393 5.946 1.00 0.61 C ATOM 519 C PRO A 39 11.747 0.232 6.899 1.00 0.63 C ATOM 520 O PRO A 39 11.240 -0.873 7.110 1.00 0.73 O ATOM 521 CB PRO A 39 12.437 0.901 4.589 1.00 0.53 C ATOM 522 CG PRO A 39 12.702 -0.190 3.608 1.00 0.54 C ATOM 523 CD PRO A 39 13.736 -1.088 4.198 1.00 0.64 C ATOM 0 HA PRO A 39 13.615 1.076 6.451 1.00 0.61 H new ATOM 0 HB2 PRO A 39 11.374 1.138 4.628 1.00 0.53 H new ATOM 0 HB3 PRO A 39 12.958 1.815 4.303 1.00 0.53 H new ATOM 0 HG2 PRO A 39 11.788 -0.745 3.397 1.00 0.54 H new ATOM 0 HG3 PRO A 39 13.049 0.223 2.661 1.00 0.54 H new ATOM 0 HD2 PRO A 39 13.558 -2.130 3.934 1.00 0.64 H new ATOM 0 HD3 PRO A 39 14.735 -0.835 3.842 1.00 0.64 H new ATOM 531 N SER A 40 11.315 1.355 7.460 1.00 0.58 N ATOM 532 CA SER A 40 10.179 1.385 8.378 1.00 0.61 C ATOM 533 C SER A 40 8.889 1.028 7.650 1.00 0.53 C ATOM 534 O SER A 40 8.878 0.900 6.424 1.00 0.49 O ATOM 535 CB SER A 40 10.053 2.780 8.989 1.00 0.64 C ATOM 536 OG SER A 40 11.306 3.239 9.471 1.00 0.77 O ATOM 0 H SER A 40 11.739 2.268 7.294 1.00 0.58 H new ATOM 0 HA SER A 40 10.348 0.651 9.166 1.00 0.61 H new ATOM 0 HB2 SER A 40 9.670 3.475 8.242 1.00 0.64 H new ATOM 0 HB3 SER A 40 9.331 2.760 9.805 1.00 0.64 H new ATOM 0 HG SER A 40 11.201 4.134 9.856 1.00 0.77 H new ATOM 542 N GLU A 41 7.803 0.881 8.403 1.00 0.58 N ATOM 543 CA GLU A 41 6.518 0.574 7.820 1.00 0.55 C ATOM 544 C GLU A 41 6.095 1.676 6.882 1.00 0.51 C ATOM 545 O GLU A 41 5.978 2.843 7.257 1.00 0.72 O ATOM 546 CB GLU A 41 5.476 0.325 8.900 1.00 0.66 C ATOM 547 CG GLU A 41 4.058 0.600 8.449 1.00 0.66 C ATOM 548 CD GLU A 41 3.033 0.416 9.549 1.00 0.82 C ATOM 549 OE1 GLU A 41 2.937 -0.700 10.097 1.00 0.85 O ATOM 550 OE2 GLU A 41 2.314 1.388 9.870 1.00 0.99 O ATOM 0 H GLU A 41 7.796 0.971 9.419 1.00 0.58 H new ATOM 0 HA GLU A 41 6.607 -0.345 7.241 1.00 0.55 H new ATOM 0 HB2 GLU A 41 5.549 -0.711 9.231 1.00 0.66 H new ATOM 0 HB3 GLU A 41 5.702 0.952 9.763 1.00 0.66 H new ATOM 0 HG2 GLU A 41 3.996 1.620 8.071 1.00 0.66 H new ATOM 0 HG3 GLU A 41 3.813 -0.063 7.619 1.00 0.66 H new ATOM 557 N ILE A 42 5.889 1.276 5.654 1.00 0.29 N ATOM 558 CA ILE A 42 5.633 2.186 4.583 1.00 0.21 C ATOM 559 C ILE A 42 4.145 2.437 4.428 1.00 0.22 C ATOM 560 O ILE A 42 3.346 1.500 4.394 1.00 0.27 O ATOM 561 CB ILE A 42 6.241 1.620 3.299 1.00 0.16 C ATOM 562 CG1 ILE A 42 7.763 1.697 3.400 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.719 2.344 2.084 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.473 1.500 2.093 1.00 0.15 C ATOM 0 H ILE A 42 5.896 0.296 5.373 1.00 0.29 H new ATOM 0 HA ILE A 42 6.095 3.148 4.803 1.00 0.21 H new ATOM 0 HB ILE A 42 5.948 0.576 3.183 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.041 2.668 3.810 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.108 0.942 4.107 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.169 1.920 1.186 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.636 2.235 2.033 1.00 0.13 H new ATOM 0 HG23 ILE A 42 5.974 3.401 2.153 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.549 1.569 2.250 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.227 0.518 1.690 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.159 2.270 1.389 1.00 0.15 H new ATOM 576 N THR A 43 3.773 3.704 4.366 1.00 0.19 N ATOM 577 CA THR A 43 2.380 4.064 4.233 1.00 0.19 C ATOM 578 C THR A 43 2.180 5.026 3.097 1.00 0.16 C ATOM 579 O THR A 43 3.136 5.569 2.556 1.00 0.15 O ATOM 580 CB THR A 43 1.809 4.687 5.520 1.00 0.21 C ATOM 581 OG1 THR A 43 2.507 5.895 5.836 1.00 0.21 O ATOM 582 CG2 THR A 43 1.920 3.715 6.682 1.00 0.22 C ATOM 0 H THR A 43 4.416 4.495 4.406 1.00 0.19 H new ATOM 0 HA THR A 43 1.844 3.136 4.033 1.00 0.19 H new ATOM 0 HB THR A 43 0.756 4.913 5.351 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.135 6.283 6.655 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.511 4.175 7.582 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.361 2.808 6.452 1.00 0.22 H new ATOM 0 HG23 THR A 43 2.968 3.464 6.847 1.00 0.22 H new ATOM 590 N LEU A 44 0.935 5.243 2.758 1.00 0.16 N ATOM 591 CA LEU A 44 0.578 6.111 1.660 1.00 0.15 C ATOM 592 C LEU A 44 0.961 7.538 1.970 1.00 0.15 C ATOM 593 O LEU A 44 1.424 8.284 1.110 1.00 0.16 O ATOM 594 CB LEU A 44 -0.907 6.001 1.429 1.00 0.16 C ATOM 595 CG LEU A 44 -1.408 4.577 1.320 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.823 4.552 0.795 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.471 3.767 0.450 1.00 0.18 C ATOM 0 H LEU A 44 0.137 4.823 3.235 1.00 0.16 H new ATOM 0 HA LEU A 44 1.115 5.810 0.760 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.429 6.498 2.246 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -1.163 6.537 0.515 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.423 4.124 2.311 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -3.166 3.520 0.723 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.473 5.104 1.474 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.853 5.014 -0.192 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.837 2.743 0.376 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.425 4.209 -0.545 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.525 3.765 0.892 1.00 0.18 H new ATOM 609 N ALA A 45 0.782 7.890 3.225 1.00 0.15 N ATOM 610 CA ALA A 45 1.125 9.206 3.716 1.00 0.15 C ATOM 611 C ALA A 45 2.641 9.424 3.656 1.00 0.15 C ATOM 612 O ALA A 45 3.116 10.554 3.578 1.00 0.18 O ATOM 613 CB ALA A 45 0.587 9.359 5.129 1.00 0.18 C ATOM 0 H ALA A 45 0.393 7.269 3.935 1.00 0.15 H new ATOM 0 HA ALA A 45 0.670 9.970 3.085 1.00 0.15 H new ATOM 0 HB1 ALA A 45 0.840 10.349 5.510 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.496 9.240 5.121 1.00 0.18 H new ATOM 0 HB3 ALA A 45 1.031 8.599 5.772 1.00 0.18 H new ATOM 619 N LYS A 46 3.388 8.324 3.687 1.00 0.15 N ATOM 620 CA LYS A 46 4.836 8.349 3.538 1.00 0.15 C ATOM 621 C LYS A 46 5.239 8.254 2.076 1.00 0.13 C ATOM 622 O LYS A 46 6.286 8.757 1.677 1.00 0.13 O ATOM 623 CB LYS A 46 5.437 7.173 4.278 1.00 0.16 C ATOM 624 CG LYS A 46 5.298 7.236 5.781 1.00 0.20 C ATOM 625 CD LYS A 46 5.776 5.943 6.410 1.00 0.22 C ATOM 626 CE LYS A 46 5.293 5.804 7.837 1.00 0.30 C ATOM 627 NZ LYS A 46 5.938 6.778 8.755 1.00 0.36 N ATOM 0 H LYS A 46 3.003 7.388 3.817 1.00 0.15 H new ATOM 0 HA LYS A 46 5.202 9.291 3.946 1.00 0.15 H new ATOM 0 HB2 LYS A 46 4.966 6.257 3.921 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.496 7.106 4.027 1.00 0.16 H new ATOM 0 HG2 LYS A 46 5.876 8.073 6.171 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.257 7.415 6.049 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.419 5.098 5.821 1.00 0.22 H new ATOM 0 HD3 LYS A 46 6.865 5.909 6.389 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.212 5.943 7.866 1.00 0.30 H new ATOM 0 HE3 LYS A 46 5.494 4.792 8.188 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 5.573 6.641 9.719 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 6.967 6.630 8.750 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 5.726 7.746 8.439 1.00 0.36 H new ATOM 641 N LEU A 47 4.416 7.578 1.288 1.00 0.13 N ATOM 642 CA LEU A 47 4.705 7.348 -0.112 1.00 0.11 C ATOM 643 C LEU A 47 4.312 8.531 -0.969 1.00 0.12 C ATOM 644 O LEU A 47 4.617 8.572 -2.157 1.00 0.14 O ATOM 645 CB LEU A 47 3.996 6.081 -0.580 1.00 0.09 C ATOM 646 CG LEU A 47 4.578 4.784 -0.034 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.771 3.592 -0.516 1.00 0.10 C ATOM 648 CD2 LEU A 47 6.037 4.649 -0.435 1.00 0.11 C ATOM 0 H LEU A 47 3.533 7.176 1.604 1.00 0.13 H new ATOM 0 HA LEU A 47 5.782 7.219 -0.221 1.00 0.11 H new ATOM 0 HB2 LEU A 47 2.947 6.141 -0.292 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.026 6.046 -1.669 1.00 0.09 H new ATOM 0 HG LEU A 47 4.524 4.810 1.054 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.202 2.675 -0.115 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.741 3.688 -0.174 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.790 3.556 -1.605 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.439 3.717 -0.037 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.117 4.644 -1.522 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.604 5.489 -0.034 1.00 0.11 H new ATOM 660 N ALA A 48 3.663 9.494 -0.336 1.00 0.12 N ATOM 661 CA ALA A 48 3.293 10.764 -0.951 1.00 0.14 C ATOM 662 C ALA A 48 4.350 11.289 -1.934 1.00 0.15 C ATOM 663 O ALA A 48 4.055 11.516 -3.109 1.00 0.19 O ATOM 664 CB ALA A 48 3.083 11.776 0.156 1.00 0.16 C ATOM 0 H ALA A 48 3.372 9.416 0.638 1.00 0.12 H new ATOM 0 HA ALA A 48 2.384 10.606 -1.531 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.805 12.737 -0.277 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.288 11.432 0.817 1.00 0.16 H new ATOM 0 HB3 ALA A 48 4.005 11.888 0.726 1.00 0.16 H new ATOM 670 N PRO A 49 5.602 11.469 -1.470 1.00 0.15 N ATOM 671 CA PRO A 49 6.670 12.068 -2.259 1.00 0.19 C ATOM 672 C PRO A 49 7.249 11.127 -3.313 1.00 0.21 C ATOM 673 O PRO A 49 8.061 11.537 -4.145 1.00 0.28 O ATOM 674 CB PRO A 49 7.708 12.394 -1.198 1.00 0.21 C ATOM 675 CG PRO A 49 7.548 11.302 -0.234 1.00 0.37 C ATOM 676 CD PRO A 49 6.089 11.096 -0.138 1.00 0.14 C ATOM 0 HA PRO A 49 6.323 12.924 -2.838 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.715 12.421 -1.614 1.00 0.21 H new ATOM 0 HB3 PRO A 49 7.526 13.366 -0.740 1.00 0.21 H new ATOM 0 HG2 PRO A 49 8.054 10.398 -0.573 1.00 0.37 H new ATOM 0 HG3 PRO A 49 7.975 11.563 0.734 1.00 0.37 H new ATOM 0 HD2 PRO A 49 5.845 10.062 0.103 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.646 11.718 0.640 1.00 0.14 H new ATOM 684 N TYR A 50 6.831 9.868 -3.272 1.00 0.21 N ATOM 685 CA TYR A 50 7.349 8.860 -4.182 1.00 0.25 C ATOM 686 C TYR A 50 6.309 8.479 -5.227 1.00 0.27 C ATOM 687 O TYR A 50 6.589 7.699 -6.138 1.00 0.33 O ATOM 688 CB TYR A 50 7.792 7.632 -3.394 1.00 0.26 C ATOM 689 CG TYR A 50 8.759 7.965 -2.284 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.101 8.154 -2.558 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.338 8.065 -0.966 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.005 8.434 -1.555 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.233 8.350 0.047 1.00 0.30 C ATOM 694 CZ TYR A 50 10.511 8.626 -0.232 1.00 0.36 C ATOM 695 OH TYR A 50 11.464 8.808 0.752 1.00 0.42 O ATOM 0 H TYR A 50 6.132 9.522 -2.615 1.00 0.21 H new ATOM 0 HA TYR A 50 8.209 9.276 -4.707 1.00 0.25 H new ATOM 0 HB2 TYR A 50 6.915 7.142 -2.971 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.258 6.919 -4.074 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.448 8.081 -3.578 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.295 7.918 -0.728 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.062 8.506 -1.767 1.00 0.39 H new ATOM 0 HE2 TYR A 50 8.897 8.350 1.073 1.00 0.30 H new ATOM 0 HH TYR A 50 11.021 8.931 1.618 1.00 0.42 H new ATOM 705 N MET A 51 5.109 9.027 -5.094 1.00 0.28 N ATOM 706 CA MET A 51 4.077 8.821 -6.100 1.00 0.35 C ATOM 707 C MET A 51 4.113 9.969 -7.089 1.00 0.54 C ATOM 708 O MET A 51 4.779 10.979 -6.854 1.00 0.51 O ATOM 709 CB MET A 51 2.683 8.734 -5.481 1.00 0.29 C ATOM 710 CG MET A 51 2.623 7.961 -4.189 1.00 0.15 C ATOM 711 SD MET A 51 2.840 6.201 -4.395 1.00 0.26 S ATOM 712 CE MET A 51 1.497 5.804 -5.479 1.00 0.25 C ATOM 0 H MET A 51 4.828 9.612 -4.307 1.00 0.28 H new ATOM 0 HA MET A 51 4.279 7.873 -6.599 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.314 9.744 -5.303 1.00 0.29 H new ATOM 0 HB3 MET A 51 2.008 8.270 -6.200 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.393 8.337 -3.515 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.662 8.146 -3.710 1.00 0.15 H new ATOM 0 HE1 MET A 51 1.189 4.771 -5.314 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.658 6.469 -5.277 1.00 0.25 H new ATOM 0 HE3 MET A 51 1.816 5.926 -6.514 1.00 0.25 H new ATOM 722 N SER A 52 3.387 9.826 -8.180 1.00 0.90 N ATOM 723 CA SER A 52 3.375 10.852 -9.214 1.00 1.14 C ATOM 724 C SER A 52 2.147 10.735 -10.121 1.00 0.98 C ATOM 725 O SER A 52 1.738 11.715 -10.742 1.00 1.19 O ATOM 726 CB SER A 52 4.659 10.764 -10.047 1.00 1.43 C ATOM 727 OG SER A 52 4.761 11.839 -10.964 1.00 2.32 O ATOM 0 H SER A 52 2.799 9.016 -8.377 1.00 0.90 H new ATOM 0 HA SER A 52 3.324 11.823 -8.721 1.00 1.14 H new ATOM 0 HB2 SER A 52 5.524 10.767 -9.384 1.00 1.43 H new ATOM 0 HB3 SER A 52 4.677 9.819 -10.590 1.00 1.43 H new ATOM 0 HG SER A 52 5.591 11.753 -11.478 1.00 2.32 H new ATOM 733 N LYS A 53 1.543 9.544 -10.174 1.00 0.79 N ATOM 734 CA LYS A 53 0.434 9.273 -11.089 1.00 0.81 C ATOM 735 C LYS A 53 -0.717 10.251 -10.928 1.00 0.98 C ATOM 736 O LYS A 53 -1.441 10.559 -11.874 1.00 1.91 O ATOM 737 CB LYS A 53 -0.082 7.845 -10.893 1.00 0.99 C ATOM 738 CG LYS A 53 -1.020 7.634 -9.700 1.00 0.82 C ATOM 739 CD LYS A 53 -0.313 7.780 -8.360 1.00 0.69 C ATOM 740 CE LYS A 53 -1.266 7.561 -7.200 1.00 0.86 C ATOM 741 NZ LYS A 53 -1.762 6.163 -7.140 1.00 1.65 N ATOM 0 H LYS A 53 1.806 8.750 -9.590 1.00 0.79 H new ATOM 0 HA LYS A 53 0.829 9.395 -12.098 1.00 0.81 H new ATOM 0 HB2 LYS A 53 -0.604 7.539 -11.800 1.00 0.99 H new ATOM 0 HB3 LYS A 53 0.775 7.181 -10.779 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -1.837 8.353 -9.755 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -1.465 6.641 -9.765 1.00 0.82 H new ATOM 0 HD2 LYS A 53 0.506 7.063 -8.300 1.00 0.69 H new ATOM 0 HD3 LYS A 53 0.128 8.774 -8.287 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -0.761 7.806 -6.266 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -2.112 8.242 -7.293 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -2.473 6.079 -6.386 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -2.192 5.908 -8.052 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -0.968 5.521 -6.940 1.00 1.65 H new ATOM 755 N ASN A 54 -0.862 10.720 -9.721 1.00 0.79 N ATOM 756 CA ASN A 54 -1.988 11.561 -9.333 1.00 0.77 C ATOM 757 C ASN A 54 -1.800 12.023 -7.909 1.00 0.93 C ATOM 758 O ASN A 54 -2.749 12.347 -7.199 1.00 1.79 O ATOM 759 CB ASN A 54 -3.265 10.749 -9.432 1.00 0.75 C ATOM 760 CG ASN A 54 -4.474 11.585 -9.804 1.00 1.15 C ATOM 761 OD1 ASN A 54 -4.760 11.787 -10.985 1.00 2.06 O ATOM 762 ND2 ASN A 54 -5.198 12.068 -8.809 1.00 1.22 N ATOM 0 H ASN A 54 -0.204 10.535 -8.964 1.00 0.79 H new ATOM 0 HA ASN A 54 -2.047 12.428 -9.991 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -3.132 9.963 -10.175 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -3.451 10.257 -8.477 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -6.026 12.630 -9.007 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -4.929 11.879 -7.844 1.00 1.22 H new ATOM 769 N ALA A 55 -0.559 12.023 -7.497 1.00 0.45 N ATOM 770 CA ALA A 55 -0.219 12.266 -6.112 1.00 0.38 C ATOM 771 C ALA A 55 0.848 13.339 -5.979 1.00 0.49 C ATOM 772 O ALA A 55 1.659 13.536 -6.886 1.00 0.72 O ATOM 773 CB ALA A 55 0.247 10.970 -5.499 1.00 0.31 C ATOM 0 H ALA A 55 0.243 11.856 -8.105 1.00 0.45 H new ATOM 0 HA ALA A 55 -1.101 12.631 -5.586 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.508 11.135 -4.454 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.551 10.230 -5.561 1.00 0.31 H new ATOM 0 HB3 ALA A 55 1.122 10.606 -6.038 1.00 0.31 H new ATOM 779 N LYS A 56 0.844 14.018 -4.835 1.00 0.48 N ATOM 780 CA LYS A 56 1.766 15.114 -4.572 1.00 0.59 C ATOM 781 C LYS A 56 2.242 15.068 -3.125 1.00 0.45 C ATOM 782 O LYS A 56 3.347 14.611 -2.833 1.00 0.50 O ATOM 783 CB LYS A 56 1.095 16.462 -4.858 1.00 0.79 C ATOM 784 CG LYS A 56 0.801 16.693 -6.328 1.00 1.43 C ATOM 785 CD LYS A 56 2.086 16.823 -7.126 1.00 1.46 C ATOM 786 CE LYS A 56 1.826 16.763 -8.617 1.00 1.71 C ATOM 787 NZ LYS A 56 0.919 17.848 -9.071 1.00 2.30 N ATOM 0 H LYS A 56 0.202 13.823 -4.067 1.00 0.48 H new ATOM 0 HA LYS A 56 2.626 15.004 -5.232 1.00 0.59 H new ATOM 0 HB2 LYS A 56 0.163 16.521 -4.296 1.00 0.79 H new ATOM 0 HB3 LYS A 56 1.738 17.263 -4.494 1.00 0.79 H new ATOM 0 HG2 LYS A 56 0.208 15.866 -6.718 1.00 1.43 H new ATOM 0 HG3 LYS A 56 0.203 17.597 -6.445 1.00 1.43 H new ATOM 0 HD2 LYS A 56 2.574 17.766 -6.879 1.00 1.46 H new ATOM 0 HD3 LYS A 56 2.773 16.025 -6.844 1.00 1.46 H new ATOM 0 HE2 LYS A 56 2.773 16.835 -9.153 1.00 1.71 H new ATOM 0 HE3 LYS A 56 1.389 15.797 -8.870 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 0.876 17.852 -10.110 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 -0.034 17.688 -8.686 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 1.279 18.764 -8.736 1.00 2.30 H new ATOM 801 N ASN A 57 1.395 15.534 -2.220 1.00 0.36 N ATOM 802 CA ASN A 57 1.668 15.445 -0.801 1.00 0.26 C ATOM 803 C ASN A 57 0.782 14.388 -0.194 1.00 0.22 C ATOM 804 O ASN A 57 0.059 13.705 -0.916 1.00 0.24 O ATOM 805 CB ASN A 57 1.423 16.782 -0.097 1.00 0.31 C ATOM 806 CG ASN A 57 2.466 17.828 -0.434 1.00 0.35 C ATOM 807 OD1 ASN A 57 3.626 17.506 -0.689 1.00 1.02 O ATOM 808 ND2 ASN A 57 2.061 19.085 -0.439 1.00 1.32 N ATOM 0 H ASN A 57 0.507 15.980 -2.450 1.00 0.36 H new ATOM 0 HA ASN A 57 2.718 15.183 -0.669 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.438 17.157 -0.374 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.412 16.622 0.981 1.00 0.31 H new ATOM 0 HD21 ASN A 57 2.719 19.832 -0.660 1.00 1.32 H new ATOM 0 HD22 ASN A 57 1.090 19.309 -0.222 1.00 1.32 H new ATOM 815 N GLU A 58 0.824 14.270 1.119 1.00 0.23 N ATOM 816 CA GLU A 58 0.045 13.264 1.829 1.00 0.23 C ATOM 817 C GLU A 58 -1.441 13.389 1.497 1.00 0.30 C ATOM 818 O GLU A 58 -2.131 12.392 1.276 1.00 0.36 O ATOM 819 CB GLU A 58 0.297 13.385 3.332 1.00 0.27 C ATOM 820 CG GLU A 58 -0.938 13.694 4.137 1.00 0.36 C ATOM 821 CD GLU A 58 -0.658 13.839 5.616 1.00 0.46 C ATOM 822 OE1 GLU A 58 -0.654 14.978 6.118 1.00 0.68 O ATOM 823 OE2 GLU A 58 -0.435 12.808 6.286 1.00 0.59 O ATOM 0 H GLU A 58 1.393 14.862 1.723 1.00 0.23 H new ATOM 0 HA GLU A 58 0.363 12.273 1.505 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.730 12.452 3.694 1.00 0.27 H new ATOM 0 HB3 GLU A 58 1.036 14.168 3.504 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -1.386 14.616 3.766 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.670 12.901 3.987 1.00 0.36 H new ATOM 830 N ASP A 59 -1.912 14.621 1.417 1.00 0.37 N ATOM 831 CA ASP A 59 -3.308 14.891 1.104 1.00 0.48 C ATOM 832 C ASP A 59 -3.619 14.536 -0.344 1.00 0.41 C ATOM 833 O ASP A 59 -4.721 14.098 -0.668 1.00 0.50 O ATOM 834 CB ASP A 59 -3.620 16.359 1.367 1.00 0.63 C ATOM 835 CG ASP A 59 -5.003 16.760 0.900 1.00 0.65 C ATOM 836 OD1 ASP A 59 -5.988 16.452 1.608 1.00 0.90 O ATOM 837 OD2 ASP A 59 -5.116 17.384 -0.175 1.00 0.55 O ATOM 0 H ASP A 59 -1.346 15.456 1.565 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.934 14.271 1.745 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -3.530 16.559 2.435 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.878 16.979 0.864 1.00 0.63 H new ATOM 842 N GLY A 60 -2.634 14.709 -1.209 1.00 0.35 N ATOM 843 CA GLY A 60 -2.836 14.455 -2.620 1.00 0.41 C ATOM 844 C GLY A 60 -2.737 12.989 -2.974 1.00 0.43 C ATOM 845 O GLY A 60 -3.346 12.540 -3.939 1.00 0.83 O ATOM 0 H GLY A 60 -1.696 15.021 -0.960 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -3.816 14.829 -2.915 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -2.096 15.013 -3.194 1.00 0.41 H new ATOM 849 N ILE A 61 -1.964 12.242 -2.205 1.00 0.25 N ATOM 850 CA ILE A 61 -1.774 10.835 -2.473 1.00 0.20 C ATOM 851 C ILE A 61 -2.886 9.992 -1.876 1.00 0.15 C ATOM 852 O ILE A 61 -3.627 9.323 -2.592 1.00 0.17 O ATOM 853 CB ILE A 61 -0.393 10.349 -1.958 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.273 8.842 -2.055 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.135 10.782 -0.523 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.677 8.281 -3.403 1.00 0.20 C ATOM 0 H ILE A 61 -1.459 12.591 -1.390 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.805 10.710 -3.555 1.00 0.20 H new ATOM 0 HB ILE A 61 0.357 10.813 -2.599 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.758 8.555 -1.847 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -0.893 8.387 -1.282 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.842 10.420 -0.204 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.157 11.870 -0.462 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -0.905 10.366 0.127 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.564 7.197 -3.395 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.717 8.536 -3.606 1.00 0.20 H new ATOM 0 HD13 ILE A 61 -0.041 8.706 -4.179 1.00 0.20 H new ATOM 868 N VAL A 62 -3.007 10.059 -0.578 1.00 0.14 N ATOM 869 CA VAL A 62 -3.883 9.175 0.166 1.00 0.13 C ATOM 870 C VAL A 62 -5.330 9.394 -0.218 1.00 0.19 C ATOM 871 O VAL A 62 -6.069 8.446 -0.465 1.00 0.24 O ATOM 872 CB VAL A 62 -3.685 9.390 1.671 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.586 8.496 2.484 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.252 9.115 2.028 1.00 0.12 C ATOM 0 H VAL A 62 -2.502 10.729 0.002 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.626 8.145 -0.081 1.00 0.13 H new ATOM 0 HB VAL A 62 -3.941 10.424 1.902 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.417 8.677 3.545 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.627 8.710 2.241 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.367 7.453 2.255 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -2.108 9.267 3.098 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -2.004 8.085 1.771 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.603 9.793 1.474 1.00 0.12 H new ATOM 884 N ASN A 63 -5.714 10.650 -0.306 1.00 0.23 N ATOM 885 CA ASN A 63 -7.077 11.008 -0.673 1.00 0.28 C ATOM 886 C ASN A 63 -7.381 10.609 -2.118 1.00 0.26 C ATOM 887 O ASN A 63 -8.540 10.415 -2.490 1.00 0.32 O ATOM 888 CB ASN A 63 -7.293 12.505 -0.474 1.00 0.39 C ATOM 889 CG ASN A 63 -8.708 12.953 -0.803 1.00 0.56 C ATOM 890 OD1 ASN A 63 -8.997 13.354 -1.927 1.00 1.17 O ATOM 891 ND2 ASN A 63 -9.594 12.893 0.177 1.00 1.20 N ATOM 0 H ASN A 63 -5.102 11.447 -0.128 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.763 10.462 -0.026 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -7.068 12.764 0.561 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.590 13.054 -1.100 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -10.557 13.186 0.012 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -9.314 12.554 1.097 1.00 1.20 H new ATOM 898 N SER A 64 -6.332 10.477 -2.923 1.00 0.25 N ATOM 899 CA SER A 64 -6.480 10.051 -4.312 1.00 0.30 C ATOM 900 C SER A 64 -6.557 8.532 -4.394 1.00 0.28 C ATOM 901 O SER A 64 -7.106 7.977 -5.345 1.00 0.39 O ATOM 902 CB SER A 64 -5.309 10.556 -5.165 1.00 0.38 C ATOM 903 OG SER A 64 -5.604 10.461 -6.550 1.00 1.17 O ATOM 0 H SER A 64 -5.370 10.659 -2.638 1.00 0.25 H new ATOM 0 HA SER A 64 -7.405 10.479 -4.700 1.00 0.30 H new ATOM 0 HB2 SER A 64 -5.089 11.592 -4.908 1.00 0.38 H new ATOM 0 HB3 SER A 64 -4.415 9.975 -4.940 1.00 0.38 H new ATOM 0 HG SER A 64 -5.053 9.759 -6.954 1.00 1.17 H new ATOM 909 N LEU A 65 -6.026 7.875 -3.375 1.00 0.21 N ATOM 910 CA LEU A 65 -5.950 6.422 -3.333 1.00 0.20 C ATOM 911 C LEU A 65 -7.218 5.803 -2.767 1.00 0.20 C ATOM 912 O LEU A 65 -8.012 6.478 -2.108 1.00 0.22 O ATOM 913 CB LEU A 65 -4.770 5.984 -2.473 1.00 0.21 C ATOM 914 CG LEU A 65 -3.397 6.269 -3.043 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.339 5.961 -2.013 1.00 0.18 C ATOM 916 CD2 LEU A 65 -3.162 5.435 -4.273 1.00 0.71 C ATOM 0 H LEU A 65 -5.635 8.334 -2.552 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.823 6.078 -4.360 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -4.849 6.476 -1.503 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -4.853 4.912 -2.295 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.342 7.324 -3.312 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.354 6.168 -2.430 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.498 6.582 -1.131 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.400 4.910 -1.732 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -2.171 5.649 -4.674 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -3.228 4.378 -4.014 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -3.916 5.673 -5.023 1.00 0.71 H new ATOM 928 N ALA A 66 -7.406 4.514 -3.060 1.00 0.21 N ATOM 929 CA ALA A 66 -8.533 3.748 -2.541 1.00 0.21 C ATOM 930 C ALA A 66 -8.668 3.914 -1.044 1.00 0.17 C ATOM 931 O ALA A 66 -7.671 4.013 -0.321 1.00 0.15 O ATOM 932 CB ALA A 66 -8.382 2.269 -2.869 1.00 0.23 C ATOM 0 H ALA A 66 -6.782 3.977 -3.662 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.432 4.134 -3.022 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.235 1.719 -2.471 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.339 2.139 -3.950 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.464 1.889 -2.421 1.00 0.23 H new ATOM 938 N LYS A 67 -9.901 3.927 -0.584 1.00 0.21 N ATOM 939 CA LYS A 67 -10.182 4.169 0.808 1.00 0.22 C ATOM 940 C LYS A 67 -10.772 2.948 1.483 1.00 0.29 C ATOM 941 O LYS A 67 -11.625 2.253 0.926 1.00 0.38 O ATOM 942 CB LYS A 67 -11.109 5.371 0.971 1.00 0.26 C ATOM 943 CG LYS A 67 -10.463 6.697 0.586 1.00 0.26 C ATOM 944 CD LYS A 67 -9.023 6.762 1.073 1.00 0.35 C ATOM 945 CE LYS A 67 -8.503 8.185 1.185 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.313 8.994 2.130 1.00 0.20 N ATOM 0 H LYS A 67 -10.727 3.771 -1.161 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.234 4.390 1.298 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -11.998 5.219 0.360 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -11.441 5.426 2.008 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.491 6.818 -0.497 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -11.033 7.522 1.014 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.951 6.276 2.046 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.387 6.200 0.389 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -7.465 8.168 1.518 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -8.515 8.655 0.202 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.729 9.761 2.520 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -10.128 9.401 1.628 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -9.651 8.388 2.905 1.00 0.20 H new ATOM 960 N ASP A 68 -10.293 2.702 2.687 1.00 0.30 N ATOM 961 CA ASP A 68 -10.783 1.618 3.516 1.00 0.42 C ATOM 962 C ASP A 68 -11.982 2.135 4.301 1.00 0.49 C ATOM 963 O ASP A 68 -11.981 3.276 4.768 1.00 0.64 O ATOM 964 CB ASP A 68 -9.677 1.141 4.467 1.00 0.50 C ATOM 965 CG ASP A 68 -10.064 -0.076 5.261 1.00 1.21 C ATOM 966 OD1 ASP A 68 -9.702 -1.195 4.849 1.00 1.35 O ATOM 967 OD2 ASP A 68 -10.723 0.071 6.297 1.00 2.24 O ATOM 0 H ASP A 68 -9.550 3.251 3.119 1.00 0.30 H new ATOM 0 HA ASP A 68 -11.080 0.769 2.900 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -8.780 0.920 3.889 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -9.423 1.949 5.153 1.00 0.50 H new ATOM 972 N LYS A 69 -12.999 1.299 4.439 1.00 0.58 N ATOM 973 CA LYS A 69 -14.279 1.733 4.978 1.00 0.74 C ATOM 974 C LYS A 69 -14.255 1.873 6.496 1.00 0.70 C ATOM 975 O LYS A 69 -14.696 2.887 7.034 1.00 0.84 O ATOM 976 CB LYS A 69 -15.380 0.757 4.555 1.00 0.94 C ATOM 977 CG LYS A 69 -16.748 0.996 5.201 1.00 0.98 C ATOM 978 CD LYS A 69 -17.554 2.100 4.517 1.00 1.81 C ATOM 979 CE LYS A 69 -17.051 3.495 4.861 1.00 2.24 C ATOM 980 NZ LYS A 69 -17.943 4.555 4.320 1.00 3.13 N ATOM 0 H LYS A 69 -12.963 0.312 4.184 1.00 0.58 H new ATOM 0 HA LYS A 69 -14.486 2.722 4.569 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -15.493 0.810 3.472 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -15.056 -0.256 4.793 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -17.321 0.069 5.176 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -16.606 1.256 6.250 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -17.511 1.959 3.437 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -18.601 2.014 4.809 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -16.979 3.598 5.944 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -16.046 3.627 4.461 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -17.566 5.490 4.576 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -17.992 4.473 3.284 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -18.896 4.445 4.721 1.00 3.13 H new ATOM 994 N SER A 70 -13.761 0.860 7.186 1.00 0.59 N ATOM 995 CA SER A 70 -13.862 0.832 8.638 1.00 0.65 C ATOM 996 C SER A 70 -12.538 1.142 9.329 1.00 0.70 C ATOM 997 O SER A 70 -12.515 1.760 10.393 1.00 0.87 O ATOM 998 CB SER A 70 -14.393 -0.526 9.098 1.00 0.65 C ATOM 999 OG SER A 70 -13.607 -1.582 8.572 1.00 1.13 O ATOM 0 H SER A 70 -13.291 0.054 6.773 1.00 0.59 H new ATOM 0 HA SER A 70 -14.559 1.619 8.926 1.00 0.65 H new ATOM 0 HB2 SER A 70 -14.389 -0.572 10.187 1.00 0.65 H new ATOM 0 HB3 SER A 70 -15.428 -0.644 8.778 1.00 0.65 H new ATOM 0 HG SER A 70 -14.051 -2.438 8.745 1.00 1.13 H new ATOM 1005 N GLY A 71 -11.438 0.721 8.717 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.154 0.768 9.383 1.00 0.73 C ATOM 1007 C GLY A 71 -10.056 -0.303 10.447 1.00 0.69 C ATOM 1008 O GLY A 71 -9.172 -0.264 11.300 1.00 0.76 O ATOM 0 H GLY A 71 -11.414 0.347 7.768 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -9.356 0.634 8.652 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -10.011 1.749 9.835 1.00 0.73 H new ATOM 1012 N ASN A 72 -10.966 -1.275 10.367 1.00 0.63 N ATOM 1013 CA ASN A 72 -11.102 -2.323 11.381 1.00 0.68 C ATOM 1014 C ASN A 72 -9.784 -3.049 11.647 1.00 0.62 C ATOM 1015 O ASN A 72 -9.453 -3.352 12.794 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.172 -3.331 10.947 1.00 0.86 C ATOM 1017 CG ASN A 72 -12.354 -4.465 11.937 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -11.703 -5.505 11.837 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -13.248 -4.281 12.895 1.00 1.67 N ATOM 0 H ASN A 72 -11.630 -1.358 9.597 1.00 0.63 H new ATOM 0 HA ASN A 72 -11.401 -1.839 12.311 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -13.122 -2.812 10.819 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -11.901 -3.744 9.975 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -13.417 -5.015 13.583 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -13.768 -3.405 12.946 1.00 1.67 H new ATOM 1026 N SER A 73 -9.030 -3.320 10.595 1.00 0.68 N ATOM 1027 CA SER A 73 -7.788 -4.064 10.734 1.00 0.70 C ATOM 1028 C SER A 73 -6.590 -3.118 10.839 1.00 0.61 C ATOM 1029 O SER A 73 -5.444 -3.567 10.931 1.00 0.64 O ATOM 1030 CB SER A 73 -7.619 -5.026 9.552 1.00 0.92 C ATOM 1031 OG SER A 73 -6.555 -5.937 9.768 1.00 1.74 O ATOM 0 H SER A 73 -9.254 -3.038 9.640 1.00 0.68 H new ATOM 0 HA SER A 73 -7.833 -4.644 11.656 1.00 0.70 H new ATOM 0 HB2 SER A 73 -8.546 -5.578 9.397 1.00 0.92 H new ATOM 0 HB3 SER A 73 -7.431 -4.456 8.642 1.00 0.92 H new ATOM 0 HG SER A 73 -5.819 -5.478 10.223 1.00 1.74 H new ATOM 1037 N SER A 74 -6.878 -1.809 10.856 1.00 0.56 N ATOM 1038 CA SER A 74 -5.853 -0.765 10.875 1.00 0.56 C ATOM 1039 C SER A 74 -5.040 -0.765 9.581 1.00 0.57 C ATOM 1040 O SER A 74 -4.487 -1.783 9.173 1.00 1.03 O ATOM 1041 CB SER A 74 -4.946 -0.925 12.094 1.00 0.67 C ATOM 1042 OG SER A 74 -5.689 -0.792 13.296 1.00 1.30 O ATOM 0 H SER A 74 -7.832 -1.447 10.857 1.00 0.56 H new ATOM 0 HA SER A 74 -6.354 0.200 10.948 1.00 0.56 H new ATOM 0 HB2 SER A 74 -4.461 -1.901 12.067 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.155 -0.176 12.065 1.00 0.67 H new ATOM 0 HG SER A 74 -5.090 -0.899 14.064 1.00 1.30 H new ATOM 1048 N THR A 75 -4.980 0.383 8.929 1.00 0.33 N ATOM 1049 CA THR A 75 -4.339 0.477 7.630 1.00 0.26 C ATOM 1050 C THR A 75 -3.180 1.480 7.649 1.00 0.25 C ATOM 1051 O THR A 75 -2.397 1.547 6.705 1.00 0.24 O ATOM 1052 CB THR A 75 -5.377 0.878 6.561 1.00 0.25 C ATOM 1053 OG1 THR A 75 -4.882 0.622 5.242 1.00 0.32 O ATOM 1054 CG2 THR A 75 -5.729 2.347 6.685 1.00 0.28 C ATOM 0 H THR A 75 -5.366 1.261 9.277 1.00 0.33 H new ATOM 0 HA THR A 75 -3.927 -0.501 7.383 1.00 0.26 H new ATOM 0 HB THR A 75 -6.270 0.275 6.727 1.00 0.25 H new ATOM 0 HG1 THR A 75 -5.369 1.176 4.597 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.462 2.611 5.923 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.147 2.539 7.673 1.00 0.28 H new ATOM 0 HG23 THR A 75 -4.831 2.949 6.548 1.00 0.28 H new ATOM 1062 N SER A 76 -3.081 2.257 8.731 1.00 0.27 N ATOM 1063 CA SER A 76 -2.026 3.268 8.897 1.00 0.29 C ATOM 1064 C SER A 76 -2.206 4.447 7.931 1.00 0.24 C ATOM 1065 O SER A 76 -2.055 5.605 8.323 1.00 0.29 O ATOM 1066 CB SER A 76 -0.634 2.647 8.729 1.00 0.35 C ATOM 1067 OG SER A 76 -0.408 1.617 9.681 1.00 0.94 O ATOM 0 H SER A 76 -3.728 2.205 9.518 1.00 0.27 H new ATOM 0 HA SER A 76 -2.113 3.655 9.912 1.00 0.29 H new ATOM 0 HB2 SER A 76 -0.534 2.242 7.722 1.00 0.35 H new ATOM 0 HB3 SER A 76 0.127 3.420 8.839 1.00 0.35 H new ATOM 0 HG SER A 76 0.556 1.483 9.795 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.519 4.151 6.677 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.800 5.178 5.688 1.00 0.15 C ATOM 1075 C ALA A 77 -4.141 5.823 5.972 1.00 0.16 C ATOM 1076 O ALA A 77 -5.166 5.153 5.937 1.00 0.24 O ATOM 1077 CB ALA A 77 -2.810 4.581 4.301 1.00 0.14 C ATOM 0 H ALA A 77 -2.585 3.198 6.320 1.00 0.17 H new ATOM 0 HA ALA A 77 -2.018 5.935 5.745 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -3.022 5.362 3.570 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -1.837 4.139 4.088 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.579 3.811 4.242 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.152 7.130 6.237 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.365 7.831 6.667 1.00 0.16 C ATOM 1085 C PRO A 78 -6.554 7.582 5.738 1.00 0.16 C ATOM 1086 O PRO A 78 -6.632 8.121 4.633 1.00 0.17 O ATOM 1087 CB PRO A 78 -4.929 9.294 6.616 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.470 9.249 6.865 1.00 0.20 C ATOM 1089 CD PRO A 78 -2.992 8.033 6.143 1.00 0.17 C ATOM 0 HA PRO A 78 -5.716 7.500 7.644 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -5.154 9.743 5.648 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.443 9.889 7.371 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -2.978 10.148 6.493 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.253 9.185 7.931 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.731 8.252 5.108 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -2.106 7.605 6.611 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.492 6.780 6.223 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.701 6.473 5.476 1.00 0.22 C ATOM 1099 C GLY A 79 -8.487 5.564 4.269 1.00 0.17 C ATOM 1100 O GLY A 79 -9.451 5.183 3.619 1.00 0.20 O ATOM 0 H GLY A 79 -7.437 6.329 7.136 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.418 6.001 6.148 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.150 7.407 5.137 1.00 0.22 H new ATOM 1104 N SER A 80 -7.245 5.202 3.973 1.00 0.17 N ATOM 1105 CA SER A 80 -6.917 4.526 2.719 1.00 0.14 C ATOM 1106 C SER A 80 -6.798 3.016 2.848 1.00 0.21 C ATOM 1107 O SER A 80 -6.638 2.469 3.928 1.00 0.49 O ATOM 1108 CB SER A 80 -5.622 5.087 2.183 1.00 0.18 C ATOM 1109 OG SER A 80 -5.850 5.930 1.068 1.00 0.58 O ATOM 0 H SER A 80 -6.445 5.365 4.584 1.00 0.17 H new ATOM 0 HA SER A 80 -7.745 4.711 2.035 1.00 0.14 H new ATOM 0 HB2 SER A 80 -5.113 5.647 2.968 1.00 0.18 H new ATOM 0 HB3 SER A 80 -4.961 4.270 1.895 1.00 0.18 H new ATOM 0 HG SER A 80 -6.389 5.454 0.402 1.00 0.58 H new ATOM 1115 N ALA A 81 -6.857 2.357 1.699 1.00 0.14 N ATOM 1116 CA ALA A 81 -6.846 0.913 1.629 1.00 0.17 C ATOM 1117 C ALA A 81 -5.452 0.366 1.339 1.00 0.17 C ATOM 1118 O ALA A 81 -5.291 -0.514 0.493 1.00 0.21 O ATOM 1119 CB ALA A 81 -7.821 0.465 0.553 1.00 0.21 C ATOM 0 H ALA A 81 -6.914 2.816 0.790 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.148 0.519 2.599 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -7.820 -0.623 0.492 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -8.823 0.814 0.802 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.520 0.883 -0.408 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.433 0.896 2.007 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.087 0.380 1.846 1.00 0.19 C ATOM 1127 C HIS A 82 -2.291 0.455 3.147 1.00 0.19 C ATOM 1128 O HIS A 82 -2.166 1.520 3.748 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.339 1.148 0.758 1.00 0.19 C ATOM 1130 CG HIS A 82 -2.805 0.903 -0.644 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -2.415 -0.182 -1.392 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.624 1.632 -1.442 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -2.971 -0.112 -2.586 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -3.712 0.977 -2.645 1.00 0.88 N ATOM 0 H HIS A 82 -4.516 1.676 2.659 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.183 -0.667 1.557 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.422 2.214 0.968 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.281 0.893 0.820 1.00 0.19 H new ATOM 0 HD2 HIS A 82 -4.116 2.557 -1.180 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -2.841 -0.828 -3.384 1.00 0.88 H new ATOM 0 HE2 HIS A 82 -4.259 1.282 -3.450 1.00 0.88 H new ATOM 1143 N GLN A 83 -1.735 -0.684 3.545 1.00 0.22 N ATOM 1144 CA GLN A 83 -0.817 -0.769 4.674 1.00 0.25 C ATOM 1145 C GLN A 83 0.228 -1.817 4.369 1.00 0.22 C ATOM 1146 O GLN A 83 -0.100 -2.967 4.135 1.00 0.20 O ATOM 1147 CB GLN A 83 -1.539 -1.149 5.970 1.00 0.34 C ATOM 1148 CG GLN A 83 -0.579 -1.414 7.125 1.00 0.74 C ATOM 1149 CD GLN A 83 -1.278 -1.840 8.399 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -1.523 -3.027 8.624 1.00 1.78 O ATOM 1151 NE2 GLN A 83 -1.570 -0.883 9.260 1.00 2.09 N ATOM 0 H GLN A 83 -1.910 -1.580 3.090 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.362 0.211 4.818 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -2.223 -0.347 6.248 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.145 -2.038 5.796 1.00 0.34 H new ATOM 0 HG2 GLN A 83 0.128 -2.189 6.830 1.00 0.74 H new ATOM 0 HG3 GLN A 83 0.001 -0.512 7.321 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -1.351 0.088 9.037 1.00 2.09 H new ATOM 0 HE22 GLN A 83 -2.014 -1.114 10.148 1.00 2.09 H new ATOM 1160 N ILE A 84 1.477 -1.427 4.368 1.00 0.23 N ATOM 1161 CA ILE A 84 2.533 -2.320 3.986 1.00 0.21 C ATOM 1162 C ILE A 84 3.086 -3.112 5.166 1.00 0.25 C ATOM 1163 O ILE A 84 3.320 -2.571 6.249 1.00 0.29 O ATOM 1164 CB ILE A 84 3.614 -1.510 3.280 1.00 0.24 C ATOM 1165 CG1 ILE A 84 3.150 -1.288 1.851 1.00 0.21 C ATOM 1166 CG2 ILE A 84 4.972 -2.190 3.336 1.00 0.29 C ATOM 1167 CD1 ILE A 84 3.018 0.165 1.464 1.00 0.20 C ATOM 0 H ILE A 84 1.786 -0.491 4.630 1.00 0.23 H new ATOM 0 HA ILE A 84 2.135 -3.071 3.303 1.00 0.21 H new ATOM 0 HB ILE A 84 3.753 -0.555 3.786 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.854 -1.771 1.173 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.186 -1.779 1.713 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.709 -1.575 2.820 1.00 0.29 H new ATOM 0 HG22 ILE A 84 5.272 -2.319 4.376 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.911 -3.165 2.853 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.683 0.237 0.429 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.292 0.651 2.116 1.00 0.20 H new ATOM 0 HD13 ILE A 84 3.985 0.658 1.567 1.00 0.20 H new ATOM 1179 N ASP A 85 3.276 -4.406 4.937 1.00 0.28 N ATOM 1180 CA ASP A 85 3.784 -5.313 5.955 1.00 0.32 C ATOM 1181 C ASP A 85 5.290 -5.369 5.872 1.00 0.38 C ATOM 1182 O ASP A 85 5.847 -6.049 5.019 1.00 0.37 O ATOM 1183 CB ASP A 85 3.213 -6.722 5.746 1.00 0.27 C ATOM 1184 CG ASP A 85 3.478 -7.663 6.906 1.00 0.36 C ATOM 1185 OD1 ASP A 85 2.513 -8.084 7.571 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.663 -7.953 7.182 1.00 0.54 O ATOM 0 H ASP A 85 3.082 -4.854 4.041 1.00 0.28 H new ATOM 0 HA ASP A 85 3.480 -4.948 6.936 1.00 0.32 H new ATOM 0 HB2 ASP A 85 2.137 -6.649 5.587 1.00 0.27 H new ATOM 0 HB3 ASP A 85 3.641 -7.148 4.839 1.00 0.27 H new ATOM 1191 N THR A 86 5.942 -4.647 6.750 1.00 0.49 N ATOM 1192 CA THR A 86 7.381 -4.553 6.732 1.00 0.58 C ATOM 1193 C THR A 86 8.025 -5.684 7.511 1.00 0.57 C ATOM 1194 O THR A 86 9.238 -5.877 7.473 1.00 0.63 O ATOM 1195 CB THR A 86 7.813 -3.200 7.270 1.00 0.75 C ATOM 1196 OG1 THR A 86 7.113 -2.916 8.487 1.00 0.81 O ATOM 1197 CG2 THR A 86 7.490 -2.152 6.235 1.00 0.82 C ATOM 0 H THR A 86 5.493 -4.111 7.493 1.00 0.49 H new ATOM 0 HA THR A 86 7.720 -4.647 5.700 1.00 0.58 H new ATOM 0 HB THR A 86 8.883 -3.203 7.477 1.00 0.75 H new ATOM 0 HG1 THR A 86 7.396 -2.043 8.831 1.00 0.81 H new ATOM 0 HG21 THR A 86 7.793 -1.172 6.603 1.00 0.82 H new ATOM 0 HG22 THR A 86 8.026 -2.375 5.312 1.00 0.82 H new ATOM 0 HG23 THR A 86 6.417 -2.151 6.041 1.00 0.82 H new ATOM 1205 N THR A 87 7.201 -6.418 8.226 1.00 0.52 N ATOM 1206 CA THR A 87 7.630 -7.638 8.867 1.00 0.54 C ATOM 1207 C THR A 87 8.005 -8.682 7.815 1.00 0.50 C ATOM 1208 O THR A 87 9.101 -9.245 7.834 1.00 0.54 O ATOM 1209 CB THR A 87 6.508 -8.186 9.764 1.00 0.58 C ATOM 1210 OG1 THR A 87 6.196 -7.236 10.792 1.00 0.71 O ATOM 1211 CG2 THR A 87 6.910 -9.509 10.383 1.00 0.58 C ATOM 0 H THR A 87 6.219 -6.186 8.378 1.00 0.52 H new ATOM 0 HA THR A 87 8.504 -7.421 9.481 1.00 0.54 H new ATOM 0 HB THR A 87 5.624 -8.351 9.148 1.00 0.58 H new ATOM 0 HG1 THR A 87 5.479 -7.591 11.359 1.00 0.71 H new ATOM 0 HG21 THR A 87 6.100 -9.877 11.013 1.00 0.58 H new ATOM 0 HG22 THR A 87 7.113 -10.233 9.594 1.00 0.58 H new ATOM 0 HG23 THR A 87 7.806 -9.370 10.988 1.00 0.58 H new ATOM 1219 N ASN A 88 7.089 -8.912 6.885 1.00 0.47 N ATOM 1220 CA ASN A 88 7.280 -9.907 5.839 1.00 0.53 C ATOM 1221 C ASN A 88 7.717 -9.254 4.536 1.00 0.52 C ATOM 1222 O ASN A 88 8.024 -9.937 3.561 1.00 0.64 O ATOM 1223 CB ASN A 88 5.992 -10.697 5.624 1.00 0.59 C ATOM 1224 CG ASN A 88 5.559 -11.443 6.869 1.00 0.76 C ATOM 1225 OD1 ASN A 88 5.923 -12.601 7.071 1.00 1.26 O ATOM 1226 ND2 ASN A 88 4.785 -10.783 7.717 1.00 1.50 N ATOM 0 H ASN A 88 6.198 -8.418 6.834 1.00 0.47 H new ATOM 0 HA ASN A 88 8.068 -10.589 6.159 1.00 0.53 H new ATOM 0 HB2 ASN A 88 5.198 -10.016 5.317 1.00 0.59 H new ATOM 0 HB3 ASN A 88 6.136 -11.407 4.810 1.00 0.59 H new ATOM 0 HD21 ASN A 88 4.468 -11.234 8.575 1.00 1.50 H new ATOM 0 HD22 ASN A 88 4.506 -9.824 7.512 1.00 1.50 H new ATOM 1233 N HIS A 89 7.709 -7.922 4.533 1.00 0.47 N ATOM 1234 CA HIS A 89 8.248 -7.118 3.431 1.00 0.53 C ATOM 1235 C HIS A 89 7.317 -7.131 2.225 1.00 0.43 C ATOM 1236 O HIS A 89 7.754 -7.241 1.078 1.00 0.45 O ATOM 1237 CB HIS A 89 9.651 -7.596 3.048 1.00 0.72 C ATOM 1238 CG HIS A 89 10.703 -7.220 4.047 1.00 0.91 C ATOM 1239 ND1 HIS A 89 11.944 -7.816 4.098 1.00 1.28 N ATOM 1240 CD2 HIS A 89 10.703 -6.278 5.019 1.00 0.96 C ATOM 1241 CE1 HIS A 89 12.659 -7.259 5.056 1.00 1.48 C ATOM 1242 NE2 HIS A 89 11.929 -6.324 5.630 1.00 1.26 N ATOM 0 H HIS A 89 7.327 -7.365 5.297 1.00 0.47 H new ATOM 0 HA HIS A 89 8.322 -6.087 3.776 1.00 0.53 H new ATOM 0 HB2 HIS A 89 9.639 -8.680 2.935 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.917 -7.178 2.077 1.00 0.72 H new ATOM 0 HD2 HIS A 89 9.888 -5.614 5.267 1.00 0.96 H new ATOM 0 HE1 HIS A 89 13.671 -7.524 5.325 1.00 1.48 H new ATOM 0 HE2 HIS A 89 12.228 -5.731 6.404 1.00 1.26 H new ATOM 1251 N LYS A 90 6.032 -6.983 2.502 1.00 0.35 N ATOM 1252 CA LYS A 90 5.005 -7.019 1.479 1.00 0.28 C ATOM 1253 C LYS A 90 4.233 -5.703 1.375 1.00 0.23 C ATOM 1254 O LYS A 90 4.061 -4.987 2.357 1.00 0.26 O ATOM 1255 CB LYS A 90 4.044 -8.155 1.804 1.00 0.30 C ATOM 1256 CG LYS A 90 4.425 -9.471 1.153 1.00 0.33 C ATOM 1257 CD LYS A 90 3.553 -10.609 1.644 1.00 0.32 C ATOM 1258 CE LYS A 90 3.577 -10.705 3.160 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.990 -11.981 3.647 1.00 0.44 N ATOM 0 H LYS A 90 5.673 -6.834 3.445 1.00 0.35 H new ATOM 0 HA LYS A 90 5.489 -7.177 0.515 1.00 0.28 H new ATOM 0 HB2 LYS A 90 4.006 -8.291 2.885 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.041 -7.876 1.482 1.00 0.30 H new ATOM 0 HG2 LYS A 90 4.333 -9.382 0.071 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.470 -9.694 1.367 1.00 0.33 H new ATOM 0 HD2 LYS A 90 2.529 -10.459 1.303 1.00 0.32 H new ATOM 0 HD3 LYS A 90 3.899 -11.548 1.212 1.00 0.32 H new ATOM 0 HE2 LYS A 90 4.605 -10.621 3.512 1.00 0.34 H new ATOM 0 HE3 LYS A 90 3.025 -9.867 3.585 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 3.026 -12.006 4.686 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 2.001 -12.050 3.333 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 3.532 -12.781 3.263 1.00 0.44 H new ATOM 1273 N LEU A 91 3.751 -5.423 0.173 1.00 0.20 N ATOM 1274 CA LEU A 91 2.856 -4.302 -0.083 1.00 0.17 C ATOM 1275 C LEU A 91 1.442 -4.820 0.082 1.00 0.14 C ATOM 1276 O LEU A 91 0.919 -5.495 -0.799 1.00 0.17 O ATOM 1277 CB LEU A 91 3.029 -3.789 -1.527 1.00 0.26 C ATOM 1278 CG LEU A 91 2.395 -2.428 -1.908 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.080 -2.157 -1.191 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.355 -1.290 -1.679 1.00 0.16 C ATOM 0 H LEU A 91 3.971 -5.971 -0.659 1.00 0.20 H new ATOM 0 HA LEU A 91 3.074 -3.483 0.603 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.098 -3.725 -1.731 1.00 0.26 H new ATOM 0 HB3 LEU A 91 2.621 -4.544 -2.198 1.00 0.26 H new ATOM 0 HG LEU A 91 2.171 -2.495 -2.973 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.689 -1.188 -1.502 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.361 -2.937 -1.443 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.247 -2.152 -0.114 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.878 -0.350 -1.957 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.636 -1.257 -0.626 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.247 -1.438 -2.288 1.00 0.16 H new ATOM 1292 N ILE A 92 0.832 -4.502 1.196 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.522 -4.901 1.461 1.00 0.16 C ATOM 1294 C ILE A 92 -1.477 -3.763 1.186 1.00 0.17 C ATOM 1295 O ILE A 92 -1.197 -2.599 1.474 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.670 -5.369 2.918 1.00 0.19 C ATOM 1297 CG1 ILE A 92 -0.170 -6.801 3.060 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -2.107 -5.247 3.426 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.325 -6.918 3.054 1.00 0.22 C ATOM 0 H ILE A 92 1.263 -3.959 1.944 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.767 -5.731 0.798 1.00 0.16 H new ATOM 0 HB ILE A 92 -0.060 -4.711 3.536 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.555 -7.221 3.989 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.576 -7.401 2.246 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -2.158 -5.590 4.459 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.424 -4.206 3.373 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.765 -5.858 2.808 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.608 -7.965 3.159 1.00 0.22 H new ATOM 0 HD12 ILE A 92 1.717 -6.528 2.114 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.738 -6.345 3.884 1.00 0.22 H new ATOM 1311 N SER A 93 -2.582 -4.103 0.587 1.00 0.20 N ATOM 1312 CA SER A 93 -3.663 -3.179 0.445 1.00 0.26 C ATOM 1313 C SER A 93 -4.825 -3.681 1.277 1.00 0.37 C ATOM 1314 O SER A 93 -5.372 -4.730 0.986 1.00 0.61 O ATOM 1315 CB SER A 93 -4.043 -3.066 -1.023 1.00 0.40 C ATOM 1316 OG SER A 93 -2.877 -3.037 -1.838 1.00 1.41 O ATOM 0 H SER A 93 -2.756 -5.025 0.186 1.00 0.20 H new ATOM 0 HA SER A 93 -3.377 -2.186 0.793 1.00 0.26 H new ATOM 0 HB2 SER A 93 -4.672 -3.909 -1.308 1.00 0.40 H new ATOM 0 HB3 SER A 93 -4.630 -2.162 -1.184 1.00 0.40 H new ATOM 0 HG SER A 93 -2.537 -3.949 -1.955 1.00 1.41 H new ATOM 1322 N THR A 94 -5.173 -2.968 2.331 1.00 0.34 N ATOM 1323 CA THR A 94 -6.239 -3.412 3.201 1.00 0.38 C ATOM 1324 C THR A 94 -7.527 -2.746 2.814 1.00 0.42 C ATOM 1325 O THR A 94 -7.682 -1.537 2.919 1.00 0.49 O ATOM 1326 CB THR A 94 -5.943 -3.119 4.678 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.760 -3.821 5.091 1.00 0.45 O ATOM 1328 CG2 THR A 94 -7.127 -3.526 5.552 1.00 0.48 C ATOM 0 H THR A 94 -4.736 -2.087 2.602 1.00 0.34 H new ATOM 0 HA THR A 94 -6.322 -4.492 3.083 1.00 0.38 H new ATOM 0 HB THR A 94 -5.779 -2.048 4.794 1.00 0.39 H new ATOM 0 HG1 THR A 94 -4.577 -3.627 6.034 1.00 0.45 H new ATOM 0 HG21 THR A 94 -6.899 -3.311 6.596 1.00 0.48 H new ATOM 0 HG22 THR A 94 -8.012 -2.965 5.251 1.00 0.48 H new ATOM 0 HG23 THR A 94 -7.316 -4.593 5.434 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.424 -3.561 2.331 1.00 0.43 N ATOM 1337 CA PHE A 95 -9.723 -3.119 1.920 1.00 0.50 C ATOM 1338 C PHE A 95 -10.767 -3.690 2.841 1.00 0.53 C ATOM 1339 O PHE A 95 -11.093 -4.867 2.708 1.00 0.55 O ATOM 1340 CB PHE A 95 -10.002 -3.665 0.544 1.00 0.55 C ATOM 1341 CG PHE A 95 -11.247 -3.111 -0.087 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -12.452 -3.794 -0.005 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -11.211 -1.898 -0.753 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -13.594 -3.272 -0.579 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -12.349 -1.375 -1.329 1.00 1.13 C ATOM 1346 CZ PHE A 95 -13.542 -2.062 -1.241 1.00 1.23 C ATOM 0 H PHE A 95 -8.269 -4.562 2.211 1.00 0.43 H new ATOM 0 HA PHE A 95 -9.752 -2.029 1.935 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -9.151 -3.448 -0.102 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.088 -4.750 0.604 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -12.497 -4.741 0.512 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -10.280 -1.355 -0.822 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -14.528 -3.810 -0.510 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -12.307 -0.429 -1.848 1.00 1.13 H new ATOM 0 HZ PHE A 95 -14.435 -1.653 -1.690 1.00 1.23 H new ATOM 1356 N THR A 96 -11.307 -2.913 3.753 1.00 0.60 N ATOM 1357 CA THR A 96 -12.379 -3.432 4.555 1.00 0.69 C ATOM 1358 C THR A 96 -13.675 -3.348 3.777 1.00 0.86 C ATOM 1359 O THR A 96 -14.156 -2.261 3.451 1.00 1.02 O ATOM 1360 CB THR A 96 -12.545 -2.730 5.909 1.00 0.79 C ATOM 1361 OG1 THR A 96 -12.723 -1.322 5.746 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.344 -3.002 6.783 1.00 0.74 C ATOM 0 H THR A 96 -11.030 -1.951 3.951 1.00 0.60 H new ATOM 0 HA THR A 96 -12.121 -4.467 4.780 1.00 0.69 H new ATOM 0 HB THR A 96 -13.439 -3.129 6.388 1.00 0.79 H new ATOM 0 HG1 THR A 96 -12.064 -0.844 6.292 1.00 1.39 H new ATOM 0 HG21 THR A 96 -11.471 -2.500 7.742 1.00 0.74 H new ATOM 0 HG22 THR A 96 -11.248 -4.076 6.946 1.00 0.74 H new ATOM 0 HG23 THR A 96 -10.445 -2.627 6.293 1.00 0.74 H new ATOM 1440 N ALA A 103 -10.435 -8.254 5.032 1.00 0.76 N ATOM 1441 CA ALA A 103 -10.125 -7.276 4.003 1.00 0.61 C ATOM 1442 C ALA A 103 -9.539 -7.900 2.760 1.00 0.58 C ATOM 1443 O ALA A 103 -8.931 -8.971 2.782 1.00 0.64 O ATOM 1444 CB ALA A 103 -9.187 -6.228 4.562 1.00 0.52 C ATOM 0 HA ALA A 103 -11.064 -6.810 3.703 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.956 -5.496 3.788 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.662 -5.727 5.405 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -8.266 -6.705 4.896 1.00 0.52 H new ATOM 1450 N THR A 104 -9.756 -7.187 1.684 1.00 0.53 N ATOM 1451 CA THR A 104 -9.290 -7.544 0.374 1.00 0.50 C ATOM 1452 C THR A 104 -7.908 -6.963 0.160 1.00 0.43 C ATOM 1453 O THR A 104 -7.709 -5.762 0.329 1.00 0.51 O ATOM 1454 CB THR A 104 -10.297 -7.003 -0.648 1.00 0.53 C ATOM 1455 OG1 THR A 104 -11.307 -7.991 -0.889 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.646 -6.562 -1.953 1.00 0.56 C ATOM 0 H THR A 104 -10.280 -6.312 1.700 1.00 0.53 H new ATOM 0 HA THR A 104 -9.215 -8.625 0.259 1.00 0.50 H new ATOM 0 HB THR A 104 -10.748 -6.107 -0.222 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.110 -8.463 -1.725 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.411 -6.189 -2.634 1.00 0.56 H new ATOM 0 HG22 THR A 104 -8.924 -5.771 -1.750 1.00 0.56 H new ATOM 0 HG23 THR A 104 -9.136 -7.410 -2.410 1.00 0.56 H new ATOM 1464 N VAL A 105 -6.951 -7.809 -0.185 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.567 -7.384 -0.198 1.00 0.28 C ATOM 1466 C VAL A 105 -4.883 -7.626 -1.533 1.00 0.25 C ATOM 1467 O VAL A 105 -4.743 -8.757 -1.994 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.746 -8.073 0.913 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.298 -7.622 0.857 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -5.329 -7.780 2.284 1.00 0.35 C ATOM 0 H VAL A 105 -7.106 -8.780 -0.456 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.598 -6.309 -0.019 1.00 0.28 H new ATOM 0 HB VAL A 105 -4.790 -9.149 0.745 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.732 -8.116 1.647 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -2.873 -7.883 -0.112 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -3.248 -6.542 0.996 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.731 -8.278 3.048 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -5.321 -6.704 2.461 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -6.354 -8.147 2.329 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.462 -6.532 -2.136 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.550 -6.560 -3.267 1.00 0.17 C ATOM 1482 C LEU A 106 -2.126 -6.508 -2.737 1.00 0.15 C ATOM 1483 O LEU A 106 -1.739 -5.530 -2.090 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.813 -5.373 -4.199 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.924 -5.554 -5.239 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.713 -6.834 -6.032 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.307 -5.552 -4.585 1.00 0.26 C ATOM 0 H LEU A 106 -4.743 -5.593 -1.855 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.702 -7.475 -3.840 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -4.057 -4.505 -3.586 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.887 -5.141 -4.725 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.877 -4.707 -5.924 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.512 -6.944 -6.765 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -3.753 -6.789 -6.546 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.722 -7.688 -5.354 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -7.072 -5.682 -5.351 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.371 -6.369 -3.866 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.465 -4.604 -4.072 1.00 0.26 H new ATOM 1499 N THR A 107 -1.349 -7.548 -3.006 1.00 0.15 N ATOM 1500 CA THR A 107 -0.064 -7.714 -2.346 1.00 0.12 C ATOM 1501 C THR A 107 1.108 -7.741 -3.332 1.00 0.12 C ATOM 1502 O THR A 107 0.981 -8.200 -4.467 1.00 0.19 O ATOM 1503 CB THR A 107 -0.046 -9.006 -1.513 1.00 0.17 C ATOM 1504 OG1 THR A 107 -1.306 -9.179 -0.856 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.067 -8.967 -0.470 1.00 0.24 C ATOM 0 H THR A 107 -1.585 -8.284 -3.672 1.00 0.15 H new ATOM 0 HA THR A 107 0.061 -6.847 -1.698 1.00 0.12 H new ATOM 0 HB THR A 107 0.136 -9.843 -2.187 1.00 0.17 H new ATOM 0 HG1 THR A 107 -1.289 -10.005 -0.328 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.058 -9.892 0.106 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.030 -8.859 -0.969 1.00 0.24 H new ATOM 0 HG23 THR A 107 0.909 -8.121 0.199 1.00 0.24 H new ATOM 1513 N TYR A 108 2.235 -7.217 -2.873 1.00 0.13 N ATOM 1514 CA TYR A 108 3.495 -7.246 -3.607 1.00 0.15 C ATOM 1515 C TYR A 108 4.615 -7.593 -2.637 1.00 0.17 C ATOM 1516 O TYR A 108 4.550 -7.212 -1.479 1.00 0.20 O ATOM 1517 CB TYR A 108 3.752 -5.875 -4.250 1.00 0.17 C ATOM 1518 CG TYR A 108 5.201 -5.566 -4.541 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.886 -4.660 -3.747 1.00 0.16 C ATOM 1520 CD2 TYR A 108 5.878 -6.152 -5.602 1.00 0.19 C ATOM 1521 CE1 TYR A 108 7.201 -4.341 -3.992 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.202 -5.843 -5.856 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.860 -4.937 -5.050 1.00 0.20 C ATOM 1524 OH TYR A 108 9.179 -4.626 -5.303 1.00 0.23 O ATOM 0 H TYR A 108 2.303 -6.753 -1.967 1.00 0.13 H new ATOM 0 HA TYR A 108 3.452 -7.995 -4.397 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.190 -5.817 -5.182 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.357 -5.102 -3.591 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.376 -4.194 -2.917 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.364 -6.858 -6.237 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.715 -3.630 -3.362 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.719 -6.309 -6.682 1.00 0.21 H new ATOM 0 HH TYR A 108 9.491 -5.133 -6.081 1.00 0.23 H new ATOM 1534 N ASP A 109 5.623 -8.314 -3.083 1.00 0.17 N ATOM 1535 CA ASP A 109 6.740 -8.635 -2.210 1.00 0.19 C ATOM 1536 C ASP A 109 7.981 -7.881 -2.662 1.00 0.23 C ATOM 1537 O ASP A 109 8.464 -8.071 -3.780 1.00 0.29 O ATOM 1538 CB ASP A 109 7.013 -10.137 -2.199 1.00 0.23 C ATOM 1539 CG ASP A 109 7.752 -10.575 -0.951 1.00 1.27 C ATOM 1540 OD1 ASP A 109 8.763 -9.930 -0.602 1.00 1.94 O ATOM 1541 OD2 ASP A 109 7.335 -11.568 -0.320 1.00 1.85 O ATOM 0 H ASP A 109 5.695 -8.686 -4.030 1.00 0.17 H new ATOM 0 HA ASP A 109 6.482 -8.331 -1.196 1.00 0.19 H new ATOM 0 HB2 ASP A 109 6.069 -10.677 -2.268 1.00 0.23 H new ATOM 0 HB3 ASP A 109 7.598 -10.405 -3.079 1.00 0.23 H new ATOM 1546 N TRP A 110 8.478 -7.011 -1.796 1.00 0.24 N ATOM 1547 CA TRP A 110 9.633 -6.187 -2.114 1.00 0.30 C ATOM 1548 C TRP A 110 10.925 -6.990 -1.986 1.00 0.43 C ATOM 1549 O TRP A 110 11.886 -6.756 -2.720 1.00 0.52 O ATOM 1550 CB TRP A 110 9.648 -4.932 -1.219 1.00 0.26 C ATOM 1551 CG TRP A 110 11.014 -4.366 -0.951 1.00 0.30 C ATOM 1552 CD1 TRP A 110 11.834 -3.713 -1.828 1.00 0.74 C ATOM 1553 CD2 TRP A 110 11.709 -4.394 0.299 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.001 -3.349 -1.196 1.00 0.47 N ATOM 1555 CE2 TRP A 110 12.945 -3.759 0.108 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.407 -4.900 1.560 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 13.875 -3.618 1.132 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.330 -4.758 2.577 1.00 2.91 C ATOM 1559 CH2 TRP A 110 13.551 -4.124 2.358 1.00 2.54 C ATOM 0 H TRP A 110 8.097 -6.857 -0.863 1.00 0.24 H new ATOM 0 HA TRP A 110 9.561 -5.860 -3.151 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.036 -4.161 -1.688 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.178 -5.177 -0.266 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.601 -3.512 -2.863 1.00 0.74 H new ATOM 0 HE1 TRP A 110 13.781 -2.854 -1.629 1.00 0.47 H new ATOM 0 HE3 TRP A 110 10.465 -5.396 1.740 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 14.821 -3.125 0.963 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.102 -5.145 3.559 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.254 -4.031 3.173 1.00 2.54 H new ATOM 1570 N SER A 111 10.937 -7.955 -1.083 1.00 0.53 N ATOM 1571 CA SER A 111 12.114 -8.762 -0.866 1.00 0.69 C ATOM 1572 C SER A 111 12.090 -10.002 -1.748 1.00 0.68 C ATOM 1573 O SER A 111 13.118 -10.384 -2.310 1.00 0.85 O ATOM 1574 CB SER A 111 12.203 -9.139 0.600 1.00 0.82 C ATOM 1575 OG SER A 111 12.502 -8.002 1.390 1.00 1.56 O ATOM 0 H SER A 111 10.142 -8.195 -0.490 1.00 0.53 H new ATOM 0 HA SER A 111 12.998 -8.185 -1.137 1.00 0.69 H new ATOM 0 HB2 SER A 111 11.260 -9.577 0.926 1.00 0.82 H new ATOM 0 HB3 SER A 111 12.973 -9.898 0.740 1.00 0.82 H new ATOM 0 HG SER A 111 12.319 -8.201 2.332 1.00 1.56 H new