USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 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 91 LYS NZ :NH3+ 174:sc= 3.03 (180deg=1.8) USER MOD Set 1.2: A 93 ASN : amide:sc= 1.05 K(o=4.1,f=-7.4!) USER MOD Set 2.1: A 78 ASN : amide:sc= -0.401 K(o=2.2,f=-5.1!) USER MOD Set 2.2: A 83 LYS NZ :NH3+ -163:sc= 1.44 (180deg=0.121) USER MOD Set 2.3: A 85 SER OG : rot -80:sc= 1.16 USER MOD Set 3.1: A 37 GLN : amide:sc= -0.385 K(o=-2.2,f=-6.8) USER MOD Set 3.2: A 55 MET CE :methyl 174:sc= -1.85 (180deg=-1.91) USER MOD Set 4.1: A 21 ASN : amide:sc= 0.515 K(o=1.1,f=-0.19) USER MOD Set 4.2: A 87 CYS SG : rot -172:sc= 0.539 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.00923 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -131:sc= -0.143 (180deg=-0.567) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -108:sc= 1.78 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.07! C(o=-2.1!,f=-6.9!) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -1.25 (180deg=-2.69!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -87:sc= 1.13 USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00336) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= -2.15! (180deg=-4.21!) USER MOD Single : A 54 HIS : no HD1:sc= -0.917 K(o=-0.92,f=0.18) USER MOD Single : A 56 SER OG : rot -29:sc= 0.0237 USER MOD Single : A 59 GLN : amide:sc= -0.637 X(o=-0.64,f=-0.8) USER MOD Single : A 61 ASN : amide:sc= 0.822 K(o=0.82,f=-4.6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 70 THR OG1 : rot 171:sc=3.54e-06 USER MOD Single : A 74 SER OG : rot 79:sc= 0.273 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 170:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.043 9.080 -16.045 1.00 18.66 N ATOM 2 CA GLY A 1 4.943 8.124 -15.437 1.00 18.87 C ATOM 3 C GLY A 1 4.578 7.839 -13.993 1.00 18.23 C ATOM 4 O GLY A 1 4.211 8.758 -13.252 1.00 18.31 O ATOM 0 H1 GLY A 1 4.571 9.678 -16.712 1.00 18.66 H new ATOM 0 H2 GLY A 1 3.291 8.573 -16.555 1.00 18.66 H new ATOM 0 H3 GLY A 1 3.619 9.676 -15.306 1.00 18.66 H new ATOM 0 HA2 GLY A 1 4.923 7.195 -16.006 1.00 18.87 H new ATOM 0 HA3 GLY A 1 5.963 8.505 -15.485 1.00 18.87 H new ATOM 8 N ALA A 2 4.653 6.561 -13.609 1.00 17.70 N ATOM 9 CA ALA A 2 4.352 6.120 -12.241 1.00 17.18 C ATOM 10 C ALA A 2 2.885 6.350 -11.895 1.00 16.38 C ATOM 11 O ALA A 2 2.499 6.367 -10.725 1.00 16.21 O ATOM 12 CB ALA A 2 5.258 6.822 -11.234 1.00 17.38 C ATOM 0 H ALA A 2 4.924 5.803 -14.236 1.00 17.70 H new ATOM 0 HA ALA A 2 4.544 5.048 -12.189 1.00 17.18 H new ATOM 0 HB1 ALA A 2 5.017 6.480 -10.228 1.00 17.38 H new ATOM 0 HB2 ALA A 2 6.299 6.589 -11.457 1.00 17.38 H new ATOM 0 HB3 ALA A 2 5.106 7.899 -11.297 1.00 17.38 H new ATOM 18 N LYS A 3 2.067 6.513 -12.923 1.00 16.02 N ATOM 19 CA LYS A 3 0.639 6.729 -12.745 1.00 15.35 C ATOM 20 C LYS A 3 -0.121 5.460 -13.117 1.00 14.78 C ATOM 21 O LYS A 3 -0.457 5.254 -14.285 1.00 14.87 O ATOM 22 CB LYS A 3 0.168 7.895 -13.621 1.00 15.66 C ATOM 23 CG LYS A 3 0.925 9.196 -13.387 1.00 16.14 C ATOM 24 CD LYS A 3 0.497 9.893 -12.103 1.00 16.34 C ATOM 25 CE LYS A 3 -0.886 10.522 -12.231 1.00 16.93 C ATOM 26 NZ LYS A 3 -0.945 11.523 -13.333 1.00 17.44 N ATOM 0 H LYS A 3 2.370 6.500 -13.897 1.00 16.02 H new ATOM 0 HA LYS A 3 0.443 6.974 -11.701 1.00 15.35 H new ATOM 0 HB2 LYS A 3 0.269 7.612 -14.669 1.00 15.66 H new ATOM 0 HB3 LYS A 3 -0.893 8.067 -13.438 1.00 15.66 H new ATOM 0 HG2 LYS A 3 1.994 8.989 -13.346 1.00 16.14 H new ATOM 0 HG3 LYS A 3 0.762 9.865 -14.232 1.00 16.14 H new ATOM 0 HD2 LYS A 3 0.494 9.174 -11.283 1.00 16.34 H new ATOM 0 HD3 LYS A 3 1.224 10.664 -11.849 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -1.624 9.741 -12.411 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -1.154 11.003 -11.290 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 -1.379 12.400 -12.982 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 0.018 11.724 -13.671 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 -1.515 11.144 -14.116 1.00 17.44 H new ATOM 40 N GLY A 4 -0.354 4.594 -12.136 1.00 14.34 N ATOM 41 CA GLY A 4 -1.002 3.322 -12.408 1.00 13.91 C ATOM 42 C GLY A 4 -2.442 3.287 -11.942 1.00 13.19 C ATOM 43 O GLY A 4 -3.314 2.754 -12.633 1.00 13.08 O ATOM 0 H GLY A 4 -0.106 4.749 -11.159 1.00 14.34 H new ATOM 0 HA2 GLY A 4 -0.966 3.123 -13.479 1.00 13.91 H new ATOM 0 HA3 GLY A 4 -0.446 2.524 -11.917 1.00 13.91 H new ATOM 47 N ASP A 5 -2.691 3.853 -10.769 1.00 12.83 N ATOM 48 CA ASP A 5 -4.034 3.888 -10.200 1.00 12.29 C ATOM 49 C ASP A 5 -4.916 4.855 -10.976 1.00 11.32 C ATOM 50 O ASP A 5 -4.649 6.055 -11.028 1.00 11.07 O ATOM 51 CB ASP A 5 -3.990 4.287 -8.721 1.00 12.76 C ATOM 52 CG ASP A 5 -3.380 3.210 -7.843 1.00 13.25 C ATOM 53 OD1 ASP A 5 -2.135 3.097 -7.805 1.00 13.69 O ATOM 54 OD2 ASP A 5 -4.143 2.469 -7.185 1.00 13.33 O ATOM 0 H ASP A 5 -1.978 4.296 -10.190 1.00 12.83 H new ATOM 0 HA ASP A 5 -4.458 2.887 -10.275 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -3.415 5.207 -8.614 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -5.002 4.502 -8.376 1.00 12.76 H new ATOM 59 N LEU A 6 -5.962 4.322 -11.583 1.00 10.94 N ATOM 60 CA LEU A 6 -6.861 5.120 -12.393 1.00 10.15 C ATOM 61 C LEU A 6 -7.877 5.845 -11.532 1.00 9.46 C ATOM 62 O LEU A 6 -8.668 5.232 -10.818 1.00 9.68 O ATOM 63 CB LEU A 6 -7.572 4.242 -13.426 1.00 10.29 C ATOM 64 CG LEU A 6 -6.650 3.540 -14.432 1.00 10.86 C ATOM 65 CD1 LEU A 6 -7.450 2.613 -15.332 1.00 11.39 C ATOM 66 CD2 LEU A 6 -5.894 4.559 -15.273 1.00 10.88 C ATOM 0 H LEU A 6 -6.209 3.334 -11.529 1.00 10.94 H new ATOM 0 HA LEU A 6 -6.265 5.868 -12.916 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -8.151 3.484 -12.898 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -8.282 4.859 -13.977 1.00 10.29 H new ATOM 0 HG LEU A 6 -5.927 2.947 -13.871 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -6.780 2.124 -16.039 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -7.950 1.858 -14.725 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -8.195 3.191 -15.879 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -5.246 4.039 -15.979 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -6.605 5.178 -15.820 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -5.289 5.190 -14.623 1.00 10.88 H new ATOM 78 N VAL A 7 -7.836 7.164 -11.609 1.00 8.82 N ATOM 79 CA VAL A 7 -8.795 8.007 -10.922 1.00 8.29 C ATOM 80 C VAL A 7 -9.980 8.314 -11.833 1.00 7.44 C ATOM 81 O VAL A 7 -10.681 9.309 -11.650 1.00 7.11 O ATOM 82 CB VAL A 7 -8.139 9.323 -10.458 1.00 8.29 C ATOM 83 CG1 VAL A 7 -7.027 9.047 -9.455 1.00 8.14 C ATOM 84 CG2 VAL A 7 -7.611 10.118 -11.642 1.00 8.52 C ATOM 0 H VAL A 7 -7.139 7.678 -12.148 1.00 8.82 H new ATOM 0 HA VAL A 7 -9.149 7.467 -10.044 1.00 8.29 H new ATOM 0 HB VAL A 7 -8.903 9.923 -9.965 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -6.578 9.989 -9.141 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -7.440 8.534 -8.586 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -6.266 8.419 -9.919 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -7.154 11.041 -11.286 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -6.867 9.526 -12.175 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -8.434 10.357 -12.316 1.00 8.52 H new ATOM 94 N SER A 8 -10.188 7.434 -12.814 1.00 7.35 N ATOM 95 CA SER A 8 -11.246 7.585 -13.811 1.00 6.76 C ATOM 96 C SER A 8 -11.010 8.827 -14.670 1.00 6.25 C ATOM 97 O SER A 8 -11.935 9.364 -15.277 1.00 6.60 O ATOM 98 CB SER A 8 -12.621 7.637 -13.134 1.00 7.45 C ATOM 99 OG SER A 8 -12.823 6.494 -12.320 1.00 7.95 O ATOM 0 H SER A 8 -9.624 6.593 -12.939 1.00 7.35 H new ATOM 0 HA SER A 8 -11.225 6.716 -14.468 1.00 6.76 H new ATOM 0 HB2 SER A 8 -12.699 8.540 -12.528 1.00 7.45 H new ATOM 0 HB3 SER A 8 -13.403 7.693 -13.891 1.00 7.45 H new ATOM 0 HG SER A 8 -13.705 6.546 -11.895 1.00 7.95 H new ATOM 105 N PHE A 9 -9.751 9.248 -14.749 1.00 5.71 N ATOM 106 CA PHE A 9 -9.370 10.402 -15.546 1.00 5.49 C ATOM 107 C PHE A 9 -9.418 10.032 -17.020 1.00 4.56 C ATOM 108 O PHE A 9 -9.693 10.860 -17.887 1.00 4.58 O ATOM 109 CB PHE A 9 -7.959 10.843 -15.152 1.00 5.95 C ATOM 110 CG PHE A 9 -7.481 12.091 -15.837 1.00 6.09 C ATOM 111 CD1 PHE A 9 -6.686 12.018 -16.969 1.00 6.22 C ATOM 112 CD2 PHE A 9 -7.826 13.338 -15.345 1.00 6.41 C ATOM 113 CE1 PHE A 9 -6.241 13.165 -17.595 1.00 6.69 C ATOM 114 CE2 PHE A 9 -7.384 14.487 -15.966 1.00 6.91 C ATOM 115 CZ PHE A 9 -6.593 14.402 -17.094 1.00 7.07 C ATOM 0 H PHE A 9 -8.973 8.800 -14.265 1.00 5.71 H new ATOM 0 HA PHE A 9 -10.061 11.226 -15.366 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -7.930 11.002 -14.074 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -7.264 10.033 -15.374 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -6.411 11.052 -17.367 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -8.448 13.412 -14.465 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -5.619 13.095 -18.475 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -7.657 15.454 -15.570 1.00 6.91 H new ATOM 0 HZ PHE A 9 -6.250 15.302 -17.584 1.00 7.07 H new ATOM 125 N ARG A 10 -9.152 8.764 -17.280 1.00 4.03 N ATOM 126 CA ARG A 10 -9.140 8.233 -18.625 1.00 3.33 C ATOM 127 C ARG A 10 -9.344 6.731 -18.578 1.00 2.88 C ATOM 128 O ARG A 10 -8.856 6.062 -17.669 1.00 3.18 O ATOM 129 CB ARG A 10 -7.823 8.589 -19.328 1.00 3.50 C ATOM 130 CG ARG A 10 -6.568 8.190 -18.560 1.00 3.95 C ATOM 131 CD ARG A 10 -6.111 6.771 -18.893 1.00 4.08 C ATOM 132 NE ARG A 10 -4.738 6.517 -18.452 1.00 4.93 N ATOM 133 CZ ARG A 10 -4.043 5.411 -18.743 1.00 5.72 C ATOM 134 NH1 ARG A 10 -4.617 4.409 -19.409 1.00 5.83 N ATOM 135 NH2 ARG A 10 -2.773 5.309 -18.363 1.00 6.67 N ATOM 0 H ARG A 10 -8.938 8.074 -16.560 1.00 4.03 H new ATOM 0 HA ARG A 10 -9.954 8.678 -19.197 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -7.805 8.105 -20.305 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -7.799 9.664 -19.504 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -5.766 8.891 -18.790 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -6.760 8.266 -17.490 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -6.782 6.054 -18.420 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -6.181 6.611 -19.969 1.00 4.08 H new ATOM 0 HE ARG A 10 -4.281 7.231 -17.885 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -5.592 4.482 -19.700 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -4.081 3.569 -19.627 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -2.331 6.073 -17.851 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -2.241 4.467 -18.583 1.00 6.67 H new ATOM 149 N ILE A 11 -10.096 6.216 -19.527 1.00 2.34 N ATOM 150 CA ILE A 11 -10.318 4.787 -19.622 1.00 1.99 C ATOM 151 C ILE A 11 -9.860 4.309 -20.987 1.00 1.73 C ATOM 152 O ILE A 11 -10.047 5.005 -21.978 1.00 1.72 O ATOM 153 CB ILE A 11 -11.804 4.387 -19.408 1.00 1.97 C ATOM 154 CG1 ILE A 11 -12.401 5.066 -18.169 1.00 2.38 C ATOM 155 CG2 ILE A 11 -11.920 2.877 -19.251 1.00 2.00 C ATOM 156 CD1 ILE A 11 -12.815 6.509 -18.376 1.00 2.89 C ATOM 0 H ILE A 11 -10.566 6.766 -20.246 1.00 2.34 H new ATOM 0 HA ILE A 11 -9.744 4.314 -18.825 1.00 1.99 H new ATOM 0 HB ILE A 11 -12.361 4.718 -20.285 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -13.271 4.496 -17.843 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -11.671 5.024 -17.361 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -12.965 2.606 -19.101 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -11.543 2.388 -20.149 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -11.335 2.555 -18.390 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -13.226 6.906 -17.448 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -11.946 7.098 -18.670 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -13.571 6.562 -19.159 1.00 2.89 H new ATOM 168 N ASP A 12 -9.240 3.145 -21.042 1.00 1.73 N ATOM 169 CA ASP A 12 -8.708 2.622 -22.298 1.00 1.71 C ATOM 170 C ASP A 12 -9.814 2.231 -23.270 1.00 1.43 C ATOM 171 O ASP A 12 -9.625 2.307 -24.485 1.00 1.54 O ATOM 172 CB ASP A 12 -7.805 1.426 -22.038 1.00 2.04 C ATOM 173 CG ASP A 12 -6.474 1.826 -21.428 1.00 2.64 C ATOM 174 OD1 ASP A 12 -5.425 1.547 -22.042 1.00 3.29 O ATOM 175 OD2 ASP A 12 -6.477 2.438 -20.337 1.00 2.90 O ATOM 0 H ASP A 12 -9.090 2.540 -20.235 1.00 1.73 H new ATOM 0 HA ASP A 12 -8.128 3.423 -22.757 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -8.313 0.730 -21.370 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -7.628 0.898 -22.975 1.00 2.04 H new ATOM 180 N GLU A 13 -10.975 1.847 -22.738 1.00 1.24 N ATOM 181 CA GLU A 13 -12.118 1.466 -23.575 1.00 1.15 C ATOM 182 C GLU A 13 -12.542 2.629 -24.472 1.00 1.28 C ATOM 183 O GLU A 13 -13.278 2.449 -25.446 1.00 1.50 O ATOM 184 CB GLU A 13 -13.311 1.019 -22.715 1.00 1.15 C ATOM 185 CG GLU A 13 -13.978 2.169 -21.972 1.00 1.58 C ATOM 186 CD GLU A 13 -15.260 1.772 -21.272 1.00 2.18 C ATOM 187 OE1 GLU A 13 -16.296 1.644 -21.950 1.00 2.35 O ATOM 188 OE2 GLU A 13 -15.225 1.552 -20.040 1.00 2.96 O ATOM 0 H GLU A 13 -11.151 1.791 -21.735 1.00 1.24 H new ATOM 0 HA GLU A 13 -11.803 0.629 -24.198 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -14.048 0.531 -23.353 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -12.972 0.276 -21.993 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -13.280 2.569 -21.236 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -14.192 2.972 -22.678 1.00 1.58 H new ATOM 195 N SER A 14 -12.053 3.812 -24.137 1.00 1.27 N ATOM 196 CA SER A 14 -12.382 5.029 -24.850 1.00 1.50 C ATOM 197 C SER A 14 -11.747 5.038 -26.242 1.00 1.59 C ATOM 198 O SER A 14 -12.267 5.658 -27.168 1.00 1.85 O ATOM 199 CB SER A 14 -11.883 6.220 -24.031 1.00 1.61 C ATOM 200 OG SER A 14 -10.474 6.352 -24.125 1.00 2.31 O ATOM 0 H SER A 14 -11.412 3.952 -23.356 1.00 1.27 H new ATOM 0 HA SER A 14 -13.462 5.091 -24.982 1.00 1.50 H new ATOM 0 HB2 SER A 14 -12.361 7.134 -24.384 1.00 1.61 H new ATOM 0 HB3 SER A 14 -12.170 6.093 -22.987 1.00 1.61 H new ATOM 0 HG SER A 14 -10.064 6.096 -23.272 1.00 2.31 H new ATOM 206 N GLY A 15 -10.629 4.331 -26.383 1.00 1.50 N ATOM 207 CA GLY A 15 -9.891 4.358 -27.632 1.00 1.67 C ATOM 208 C GLY A 15 -8.923 5.523 -27.686 1.00 1.66 C ATOM 209 O GLY A 15 -8.993 6.354 -28.589 1.00 1.86 O ATOM 0 H GLY A 15 -10.223 3.742 -25.656 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -9.343 3.423 -27.751 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -10.589 4.426 -28.466 1.00 1.67 H new ATOM 213 N ARG A 16 -8.025 5.576 -26.706 1.00 1.69 N ATOM 214 CA ARG A 16 -7.076 6.681 -26.572 1.00 1.95 C ATOM 215 C ARG A 16 -6.197 6.818 -27.816 1.00 1.94 C ATOM 216 O ARG A 16 -5.485 5.889 -28.186 1.00 1.95 O ATOM 217 CB ARG A 16 -6.196 6.469 -25.338 1.00 2.42 C ATOM 218 CG ARG A 16 -6.964 6.440 -24.021 1.00 2.50 C ATOM 219 CD ARG A 16 -7.416 7.829 -23.584 1.00 2.87 C ATOM 220 NE ARG A 16 -8.483 8.379 -24.422 1.00 3.47 N ATOM 221 CZ ARG A 16 -8.571 9.671 -24.758 1.00 4.27 C ATOM 222 NH1 ARG A 16 -7.629 10.530 -24.376 1.00 4.62 N ATOM 223 NH2 ARG A 16 -9.597 10.096 -25.484 1.00 5.03 N ATOM 0 H ARG A 16 -7.933 4.860 -25.986 1.00 1.69 H new ATOM 0 HA ARG A 16 -7.649 7.601 -26.459 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -5.653 5.531 -25.450 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -5.452 7.265 -25.295 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -7.835 5.793 -24.125 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -6.334 6.004 -23.245 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -7.761 7.783 -22.551 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -6.561 8.505 -23.605 1.00 2.87 H new ATOM 0 HE ARG A 16 -9.200 7.741 -24.769 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -6.835 10.204 -23.824 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -7.701 11.514 -24.635 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -10.316 9.438 -25.785 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -9.666 11.081 -25.742 1.00 5.03 H new ATOM 237 N ALA A 17 -6.256 7.984 -28.447 1.00 2.02 N ATOM 238 CA ALA A 17 -5.520 8.233 -29.684 1.00 2.12 C ATOM 239 C ALA A 17 -4.072 8.644 -29.415 1.00 2.12 C ATOM 240 O ALA A 17 -3.229 8.578 -30.305 1.00 2.20 O ATOM 241 CB ALA A 17 -6.229 9.301 -30.503 1.00 2.37 C ATOM 0 H ALA A 17 -6.809 8.777 -28.122 1.00 2.02 H new ATOM 0 HA ALA A 17 -5.493 7.301 -30.248 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -5.674 9.481 -31.424 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -7.237 8.964 -30.746 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -6.285 10.224 -29.926 1.00 2.37 H new ATOM 247 N ALA A 18 -3.789 9.066 -28.185 1.00 2.11 N ATOM 248 CA ALA A 18 -2.448 9.529 -27.829 1.00 2.25 C ATOM 249 C ALA A 18 -1.452 8.375 -27.817 1.00 2.18 C ATOM 250 O ALA A 18 -0.293 8.542 -28.198 1.00 2.38 O ATOM 251 CB ALA A 18 -2.467 10.221 -26.475 1.00 2.35 C ATOM 0 H ALA A 18 -4.465 9.097 -27.422 1.00 2.11 H new ATOM 0 HA ALA A 18 -2.129 10.245 -28.587 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -1.461 10.559 -26.225 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -3.139 11.078 -26.514 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -2.814 9.522 -25.714 1.00 2.35 H new ATOM 257 N CYS A 19 -1.905 7.211 -27.375 1.00 1.97 N ATOM 258 CA CYS A 19 -1.067 6.024 -27.366 1.00 1.94 C ATOM 259 C CYS A 19 -1.939 4.787 -27.512 1.00 1.77 C ATOM 260 O CYS A 19 -2.946 4.646 -26.817 1.00 1.77 O ATOM 261 CB CYS A 19 -0.242 5.944 -26.077 1.00 2.16 C ATOM 262 SG CYS A 19 0.936 4.571 -26.032 1.00 2.75 S ATOM 0 H CYS A 19 -2.849 7.064 -27.018 1.00 1.97 H new ATOM 0 HA CYS A 19 -0.373 6.079 -28.204 1.00 1.94 H new ATOM 0 HB2 CYS A 19 0.303 6.879 -25.949 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -0.921 5.853 -25.230 1.00 2.16 H new ATOM 0 HG CYS A 19 1.584 4.592 -24.905 1.00 2.75 H new ATOM 268 N VAL A 20 -1.550 3.902 -28.416 1.00 1.71 N ATOM 269 CA VAL A 20 -2.344 2.722 -28.730 1.00 1.67 C ATOM 270 C VAL A 20 -1.517 1.752 -29.573 1.00 1.62 C ATOM 271 O VAL A 20 -0.580 2.164 -30.258 1.00 1.57 O ATOM 272 CB VAL A 20 -3.645 3.118 -29.484 1.00 1.72 C ATOM 273 CG1 VAL A 20 -3.322 3.774 -30.821 1.00 1.74 C ATOM 274 CG2 VAL A 20 -4.566 1.922 -29.670 1.00 1.88 C ATOM 0 H VAL A 20 -0.684 3.979 -28.949 1.00 1.71 H new ATOM 0 HA VAL A 20 -2.627 2.234 -27.798 1.00 1.67 H new ATOM 0 HB VAL A 20 -4.174 3.847 -28.870 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -4.249 4.041 -31.328 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -2.729 4.673 -30.651 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -2.757 3.078 -31.441 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -5.466 2.234 -30.200 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -4.052 1.154 -30.248 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -4.841 1.520 -28.695 1.00 1.88 H new ATOM 284 N ASN A 21 -1.836 0.471 -29.494 1.00 1.71 N ATOM 285 CA ASN A 21 -1.120 -0.538 -30.270 1.00 1.70 C ATOM 286 C ASN A 21 -1.702 -0.648 -31.677 1.00 1.72 C ATOM 287 O ASN A 21 -0.989 -0.511 -32.673 1.00 2.62 O ATOM 288 CB ASN A 21 -1.188 -1.902 -29.574 1.00 1.73 C ATOM 289 CG ASN A 21 -0.339 -2.955 -30.269 1.00 2.10 C ATOM 290 OD1 ASN A 21 -0.783 -3.601 -31.213 1.00 2.71 O ATOM 291 ND2 ASN A 21 0.878 -3.150 -29.788 1.00 2.48 N ATOM 0 H ASN A 21 -2.582 0.102 -28.904 1.00 1.71 H new ATOM 0 HA ASN A 21 -0.077 -0.229 -30.343 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -0.856 -1.796 -28.541 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -2.224 -2.239 -29.542 1.00 1.73 H new ATOM 0 HD21 ASN A 21 1.483 -3.858 -30.204 1.00 2.48 H new ATOM 0 HD22 ASN A 21 1.211 -2.592 -29.002 1.00 2.48 H new ATOM 298 N ALA A 22 -3.005 -0.892 -31.745 1.00 1.05 N ATOM 299 CA ALA A 22 -3.700 -1.035 -33.015 1.00 0.99 C ATOM 300 C ALA A 22 -4.324 0.291 -33.429 1.00 1.10 C ATOM 301 O ALA A 22 -3.996 1.338 -32.877 1.00 1.95 O ATOM 302 CB ALA A 22 -4.774 -2.111 -32.908 1.00 0.96 C ATOM 0 H ALA A 22 -3.605 -0.995 -30.927 1.00 1.05 H new ATOM 0 HA ALA A 22 -2.978 -1.333 -33.776 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -5.287 -2.209 -33.865 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -4.311 -3.062 -32.645 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -5.493 -1.832 -32.137 1.00 0.96 H new ATOM 308 N VAL A 23 -5.216 0.243 -34.404 1.00 0.94 N ATOM 309 CA VAL A 23 -5.913 1.440 -34.861 1.00 0.99 C ATOM 310 C VAL A 23 -7.225 1.587 -34.082 1.00 1.04 C ATOM 311 O VAL A 23 -7.392 0.980 -33.025 1.00 1.72 O ATOM 312 CB VAL A 23 -6.206 1.368 -36.385 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.162 2.749 -37.026 1.00 1.60 C ATOM 314 CG2 VAL A 23 -5.221 0.441 -37.085 1.00 1.68 C ATOM 0 H VAL A 23 -5.477 -0.611 -34.897 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.276 2.306 -34.682 1.00 0.99 H new ATOM 0 HB VAL A 23 -7.213 0.967 -36.502 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.371 2.662 -38.092 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -6.910 3.390 -36.560 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -5.173 3.184 -36.885 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -5.447 0.408 -38.151 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -4.206 0.812 -36.941 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -5.303 -0.561 -36.665 1.00 1.68 H new ATOM 324 N ARG A 24 -8.158 2.371 -34.615 1.00 0.69 N ATOM 325 CA ARG A 24 -9.460 2.592 -33.975 1.00 0.69 C ATOM 326 C ARG A 24 -10.357 1.349 -34.050 1.00 0.61 C ATOM 327 O ARG A 24 -11.563 1.424 -33.799 1.00 0.84 O ATOM 328 CB ARG A 24 -10.170 3.805 -34.610 1.00 0.85 C ATOM 329 CG ARG A 24 -10.113 3.859 -36.136 1.00 0.94 C ATOM 330 CD ARG A 24 -10.961 2.778 -36.795 1.00 1.08 C ATOM 331 NE ARG A 24 -10.779 2.744 -38.247 1.00 1.57 N ATOM 332 CZ ARG A 24 -11.528 2.020 -39.080 1.00 2.12 C ATOM 333 NH1 ARG A 24 -12.519 1.268 -38.615 1.00 2.44 N ATOM 334 NH2 ARG A 24 -11.277 2.044 -40.381 1.00 2.92 N ATOM 0 H ARG A 24 -8.039 2.870 -35.497 1.00 0.69 H new ATOM 0 HA ARG A 24 -9.275 2.797 -32.921 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -11.215 3.799 -34.300 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -9.725 4.717 -34.212 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -10.453 4.838 -36.474 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -9.078 3.752 -36.461 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -10.700 1.807 -36.375 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -12.012 2.953 -36.566 1.00 1.08 H new ATOM 0 HE ARG A 24 -10.031 3.310 -38.648 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -12.712 1.241 -37.614 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -13.087 0.717 -39.259 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -10.513 2.615 -40.743 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -11.848 1.492 -41.021 1.00 2.92 H new ATOM 348 N GLN A 25 -9.765 0.207 -34.365 1.00 0.44 N ATOM 349 CA GLN A 25 -10.525 -1.010 -34.575 1.00 0.43 C ATOM 350 C GLN A 25 -10.647 -1.803 -33.276 1.00 0.37 C ATOM 351 O GLN A 25 -9.902 -2.756 -33.037 1.00 0.49 O ATOM 352 CB GLN A 25 -9.864 -1.861 -35.661 1.00 0.48 C ATOM 353 CG GLN A 25 -10.807 -2.845 -36.341 1.00 0.64 C ATOM 354 CD GLN A 25 -11.951 -2.179 -37.093 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.439 -1.109 -36.715 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.387 -2.813 -38.170 1.00 1.34 N ATOM 0 H GLN A 25 -8.757 0.100 -34.481 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.529 -0.739 -34.902 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.439 -1.200 -36.417 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.035 -2.415 -35.219 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.236 -3.460 -37.037 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.221 -3.516 -35.589 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -11.959 -3.695 -38.451 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.151 -2.420 -38.719 1.00 1.34 H new ATOM 365 N LYS A 26 -11.578 -1.382 -32.432 1.00 0.26 N ATOM 366 CA LYS A 26 -11.791 -2.031 -31.147 1.00 0.21 C ATOM 367 C LYS A 26 -13.041 -2.899 -31.191 1.00 0.24 C ATOM 368 O LYS A 26 -14.158 -2.402 -31.317 1.00 0.43 O ATOM 369 CB LYS A 26 -11.898 -0.983 -30.033 1.00 0.30 C ATOM 370 CG LYS A 26 -10.679 -0.073 -29.948 1.00 0.69 C ATOM 371 CD LYS A 26 -10.855 1.068 -28.949 1.00 1.08 C ATOM 372 CE LYS A 26 -11.056 0.562 -27.527 1.00 1.59 C ATOM 373 NZ LYS A 26 -12.492 0.351 -27.205 1.00 2.11 N ATOM 0 H LYS A 26 -12.198 -0.593 -32.614 1.00 0.26 H new ATOM 0 HA LYS A 26 -10.936 -2.673 -30.934 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -12.787 -0.375 -30.199 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.033 -1.490 -29.077 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -9.809 -0.666 -29.665 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.474 0.343 -30.934 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -9.979 1.716 -28.982 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -11.712 1.675 -29.241 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -10.514 -0.375 -27.396 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -10.629 1.278 -26.824 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -12.638 0.459 -26.181 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -13.068 1.053 -27.712 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -12.776 -0.606 -27.496 1.00 2.11 H new ATOM 387 N LYS A 27 -12.831 -4.202 -31.102 1.00 0.12 N ATOM 388 CA LYS A 27 -13.906 -5.177 -31.163 1.00 0.12 C ATOM 389 C LYS A 27 -14.297 -5.662 -29.771 1.00 0.13 C ATOM 390 O LYS A 27 -13.510 -5.570 -28.832 1.00 0.19 O ATOM 391 CB LYS A 27 -13.465 -6.364 -32.019 1.00 0.14 C ATOM 392 CG LYS A 27 -13.497 -6.095 -33.513 1.00 0.19 C ATOM 393 CD LYS A 27 -14.900 -5.754 -33.992 1.00 0.28 C ATOM 394 CE LYS A 27 -14.917 -5.407 -35.467 1.00 0.44 C ATOM 395 NZ LYS A 27 -16.282 -5.040 -35.921 1.00 1.27 N ATOM 0 H LYS A 27 -11.906 -4.615 -30.985 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.778 -4.699 -31.609 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.452 -6.648 -31.733 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.109 -7.216 -31.800 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.822 -5.273 -33.750 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -13.132 -6.971 -34.049 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.563 -6.600 -33.809 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.288 -4.914 -33.416 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -14.234 -4.579 -35.655 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -14.555 -6.256 -36.046 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -16.260 -4.808 -36.935 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.927 -5.840 -35.763 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.616 -4.214 -35.384 1.00 1.27 H new ATOM 409 N ARG A 28 -15.517 -6.170 -29.643 1.00 0.10 N ATOM 410 CA ARG A 28 -15.975 -6.756 -28.392 1.00 0.12 C ATOM 411 C ARG A 28 -16.455 -8.179 -28.626 1.00 0.09 C ATOM 412 O ARG A 28 -17.104 -8.462 -29.634 1.00 0.15 O ATOM 413 CB ARG A 28 -17.098 -5.933 -27.767 1.00 0.19 C ATOM 414 CG ARG A 28 -16.677 -4.531 -27.375 1.00 0.29 C ATOM 415 CD ARG A 28 -17.443 -4.049 -26.160 1.00 0.29 C ATOM 416 NE ARG A 28 -18.891 -4.038 -26.381 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.714 -3.094 -25.913 1.00 1.15 C ATOM 418 NH1 ARG A 28 -19.235 -2.052 -25.240 1.00 1.40 N ATOM 419 NH2 ARG A 28 -21.021 -3.190 -26.116 1.00 1.65 N ATOM 0 H ARG A 28 -16.208 -6.187 -30.393 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.132 -6.762 -27.701 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.927 -5.871 -28.472 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.469 -6.452 -26.883 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.608 -4.515 -27.164 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.847 -3.851 -28.209 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.213 -4.692 -25.310 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -17.110 -3.044 -25.899 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.297 -4.798 -26.926 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -18.232 -1.968 -25.077 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -19.871 -1.337 -24.887 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.400 -3.985 -26.630 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.647 -2.469 -25.758 1.00 1.65 H new ATOM 433 N ALA A 29 -16.133 -9.063 -27.692 1.00 0.08 N ATOM 434 CA ALA A 29 -16.534 -10.460 -27.773 1.00 0.07 C ATOM 435 C ALA A 29 -16.345 -11.138 -26.428 1.00 0.06 C ATOM 436 O ALA A 29 -15.912 -10.513 -25.461 1.00 0.08 O ATOM 437 CB ALA A 29 -15.760 -11.201 -28.860 1.00 0.08 C ATOM 0 H ALA A 29 -15.589 -8.833 -26.860 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.590 -10.492 -28.040 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.084 -12.241 -28.893 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.949 -10.731 -29.825 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.693 -11.160 -28.639 1.00 0.08 H new ATOM 443 N THR A 30 -16.687 -12.406 -26.363 1.00 0.06 N ATOM 444 CA THR A 30 -16.575 -13.155 -25.131 1.00 0.06 C ATOM 445 C THR A 30 -15.347 -14.057 -25.176 1.00 0.06 C ATOM 446 O THR A 30 -14.976 -14.563 -26.240 1.00 0.08 O ATOM 447 CB THR A 30 -17.829 -14.014 -24.898 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.787 -13.770 -25.939 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.458 -13.702 -23.551 1.00 0.11 C ATOM 0 H THR A 30 -17.047 -12.942 -27.153 1.00 0.06 H new ATOM 0 HA THR A 30 -16.477 -12.444 -24.311 1.00 0.06 H new ATOM 0 HB THR A 30 -17.531 -15.062 -24.909 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.583 -14.321 -25.787 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.343 -14.323 -23.410 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.740 -13.909 -22.757 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.743 -12.650 -23.517 1.00 0.11 H new ATOM 457 N VAL A 31 -14.705 -14.234 -24.032 1.00 0.08 N ATOM 458 CA VAL A 31 -13.542 -15.107 -23.941 1.00 0.10 C ATOM 459 C VAL A 31 -13.950 -16.560 -24.119 1.00 0.11 C ATOM 460 O VAL A 31 -14.744 -17.089 -23.339 1.00 0.14 O ATOM 461 CB VAL A 31 -12.820 -14.961 -22.587 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.564 -15.815 -22.544 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.482 -13.514 -22.322 1.00 0.13 C ATOM 0 H VAL A 31 -14.968 -13.786 -23.154 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.860 -14.808 -24.737 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.494 -15.311 -21.805 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.074 -15.693 -21.578 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.831 -16.862 -22.686 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.885 -15.503 -23.337 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -11.973 -13.429 -21.362 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.830 -13.142 -23.113 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.399 -12.924 -22.300 1.00 0.13 H new ATOM 473 N ASP A 32 -13.396 -17.193 -25.139 1.00 0.12 N ATOM 474 CA ASP A 32 -13.660 -18.600 -25.418 1.00 0.15 C ATOM 475 C ASP A 32 -12.960 -19.482 -24.396 1.00 0.15 C ATOM 476 O ASP A 32 -13.526 -20.462 -23.914 1.00 0.19 O ATOM 477 CB ASP A 32 -13.188 -18.953 -26.835 1.00 0.21 C ATOM 478 CG ASP A 32 -13.137 -20.448 -27.094 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.038 -21.038 -26.991 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.191 -21.039 -27.415 1.00 0.60 O ATOM 0 H ASP A 32 -12.753 -16.751 -25.796 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.734 -18.775 -25.350 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.856 -18.488 -27.560 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.197 -18.529 -26.997 1.00 0.21 H new ATOM 485 N SER A 33 -11.735 -19.109 -24.045 1.00 0.14 N ATOM 486 CA SER A 33 -10.940 -19.878 -23.104 1.00 0.18 C ATOM 487 C SER A 33 -9.681 -19.117 -22.719 1.00 0.13 C ATOM 488 O SER A 33 -9.311 -18.144 -23.377 1.00 0.14 O ATOM 489 CB SER A 33 -10.573 -21.238 -23.711 1.00 0.27 C ATOM 490 OG SER A 33 -10.069 -21.088 -25.028 1.00 1.07 O ATOM 0 H SER A 33 -11.271 -18.273 -24.402 1.00 0.14 H new ATOM 0 HA SER A 33 -11.532 -20.041 -22.203 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.827 -21.730 -23.086 1.00 0.27 H new ATOM 0 HB3 SER A 33 -11.452 -21.883 -23.725 1.00 0.27 H new ATOM 0 HG SER A 33 -10.814 -21.080 -25.664 1.00 1.07 H new ATOM 496 N ILE A 34 -9.043 -19.549 -21.646 1.00 0.16 N ATOM 497 CA ILE A 34 -7.784 -18.964 -21.207 1.00 0.14 C ATOM 498 C ILE A 34 -6.820 -20.070 -20.807 1.00 0.16 C ATOM 499 O ILE A 34 -7.175 -20.988 -20.065 1.00 0.19 O ATOM 500 CB ILE A 34 -7.986 -17.957 -20.043 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.270 -16.559 -20.605 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.775 -17.922 -19.119 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.601 -15.518 -19.549 1.00 0.17 C ATOM 0 H ILE A 34 -9.378 -20.310 -21.056 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.362 -18.402 -22.040 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.841 -18.288 -19.453 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.400 -16.223 -21.170 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.101 -16.624 -21.308 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.951 -17.207 -18.316 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.613 -18.913 -18.694 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.894 -17.622 -19.686 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.788 -14.558 -20.030 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.490 -15.828 -18.999 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.763 -15.420 -18.859 1.00 0.17 H new ATOM 515 N LYS A 35 -5.612 -19.984 -21.326 1.00 0.17 N ATOM 516 CA LYS A 35 -4.605 -21.004 -21.128 1.00 0.21 C ATOM 517 C LYS A 35 -3.314 -20.376 -20.627 1.00 0.20 C ATOM 518 O LYS A 35 -2.566 -19.781 -21.400 1.00 0.22 O ATOM 519 CB LYS A 35 -4.351 -21.742 -22.444 1.00 0.24 C ATOM 520 CG LYS A 35 -5.585 -22.447 -22.986 1.00 0.34 C ATOM 521 CD LYS A 35 -6.068 -23.533 -22.036 1.00 0.47 C ATOM 522 CE LYS A 35 -7.480 -23.978 -22.369 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.575 -24.605 -23.715 1.00 1.56 N ATOM 0 H LYS A 35 -5.301 -19.200 -21.900 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.962 -21.714 -20.382 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.991 -21.031 -23.188 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.558 -22.475 -22.294 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.381 -21.720 -23.144 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.357 -22.886 -23.957 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.394 -24.388 -22.088 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.035 -23.162 -21.011 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.821 -24.688 -21.616 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -8.149 -23.119 -22.324 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.551 -24.922 -23.882 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.308 -23.910 -24.441 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -6.932 -25.421 -23.764 1.00 1.56 H new ATOM 537 N GLY A 36 -3.071 -20.482 -19.329 1.00 0.25 N ATOM 538 CA GLY A 36 -1.861 -19.925 -18.755 1.00 0.28 C ATOM 539 C GLY A 36 -1.829 -18.410 -18.832 1.00 0.24 C ATOM 540 O GLY A 36 -2.539 -17.727 -18.095 1.00 0.29 O ATOM 0 H GLY A 36 -3.689 -20.944 -18.662 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -1.780 -20.235 -17.713 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -0.994 -20.331 -19.277 1.00 0.28 H new ATOM 544 N GLN A 37 -1.009 -17.893 -19.740 1.00 0.21 N ATOM 545 CA GLN A 37 -0.833 -16.453 -19.903 1.00 0.20 C ATOM 546 C GLN A 37 -1.537 -15.984 -21.169 1.00 0.17 C ATOM 547 O GLN A 37 -1.414 -14.829 -21.566 1.00 0.21 O ATOM 548 CB GLN A 37 0.660 -16.104 -20.020 1.00 0.24 C ATOM 549 CG GLN A 37 1.586 -17.031 -19.242 1.00 0.36 C ATOM 550 CD GLN A 37 1.402 -16.945 -17.739 1.00 1.27 C ATOM 551 OE1 GLN A 37 1.079 -15.892 -17.200 1.00 2.10 O ATOM 552 NE2 GLN A 37 1.597 -18.060 -17.054 1.00 1.94 N ATOM 0 H GLN A 37 -0.450 -18.456 -20.381 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.259 -15.958 -19.030 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.944 -16.126 -21.072 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.810 -15.083 -19.670 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.413 -18.058 -19.563 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.620 -16.790 -19.488 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.865 -18.916 -17.539 1.00 1.94 H new ATOM 0 HE22 GLN A 37 1.479 -18.063 -16.041 1.00 1.94 H new ATOM 561 N PHE A 38 -2.276 -16.878 -21.806 1.00 0.13 N ATOM 562 CA PHE A 38 -2.884 -16.563 -23.081 1.00 0.11 C ATOM 563 C PHE A 38 -4.374 -16.805 -23.047 1.00 0.10 C ATOM 564 O PHE A 38 -4.851 -17.769 -22.458 1.00 0.12 O ATOM 565 CB PHE A 38 -2.238 -17.361 -24.219 1.00 0.13 C ATOM 566 CG PHE A 38 -0.829 -16.940 -24.527 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.582 -15.919 -25.433 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.246 -17.560 -23.914 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.709 -15.525 -25.719 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.543 -17.169 -24.198 1.00 0.29 C ATOM 571 CZ PHE A 38 1.772 -16.149 -25.101 1.00 0.32 C ATOM 0 H PHE A 38 -2.466 -17.819 -21.462 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.713 -15.503 -23.271 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.243 -18.419 -23.957 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.845 -17.252 -25.118 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.410 -15.426 -25.920 1.00 0.21 H new ATOM 0 HD2 PHE A 38 0.071 -18.357 -23.207 1.00 0.23 H new ATOM 0 HE1 PHE A 38 0.887 -14.728 -26.426 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.374 -17.660 -23.715 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.783 -15.841 -25.323 1.00 0.32 H new ATOM 581 N GLY A 39 -5.101 -15.917 -23.680 1.00 0.09 N ATOM 582 CA GLY A 39 -6.534 -16.041 -23.738 1.00 0.09 C ATOM 583 C GLY A 39 -7.015 -16.054 -25.161 1.00 0.09 C ATOM 584 O GLY A 39 -6.325 -15.566 -26.055 1.00 0.11 O ATOM 0 H GLY A 39 -4.723 -15.101 -24.162 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.844 -16.958 -23.237 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -6.997 -15.213 -23.201 1.00 0.09 H new ATOM 588 N PHE A 40 -8.181 -16.621 -25.382 1.00 0.09 N ATOM 589 CA PHE A 40 -8.747 -16.695 -26.713 1.00 0.10 C ATOM 590 C PHE A 40 -10.182 -16.220 -26.684 1.00 0.10 C ATOM 591 O PHE A 40 -10.894 -16.437 -25.706 1.00 0.18 O ATOM 592 CB PHE A 40 -8.679 -18.127 -27.250 1.00 0.12 C ATOM 593 CG PHE A 40 -7.287 -18.700 -27.262 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.761 -19.301 -26.124 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.503 -18.635 -28.402 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.481 -19.826 -26.128 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.222 -19.160 -28.411 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.711 -19.757 -27.271 1.00 0.17 C ATOM 0 H PHE A 40 -8.759 -17.040 -24.653 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.167 -16.052 -27.375 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.320 -18.765 -26.642 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.079 -18.146 -28.264 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.359 -19.359 -25.226 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.895 -18.169 -29.294 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -5.085 -20.290 -25.237 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.621 -19.104 -29.307 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.712 -20.168 -27.276 1.00 0.17 H new ATOM 608 N LEU A 41 -10.601 -15.565 -27.745 1.00 0.10 N ATOM 609 CA LEU A 41 -11.942 -15.025 -27.821 1.00 0.09 C ATOM 610 C LEU A 41 -12.655 -15.625 -29.012 1.00 0.09 C ATOM 611 O LEU A 41 -12.011 -16.011 -29.992 1.00 0.13 O ATOM 612 CB LEU A 41 -11.888 -13.499 -27.949 1.00 0.09 C ATOM 613 CG LEU A 41 -10.818 -12.835 -27.084 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.467 -11.463 -27.616 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.297 -12.744 -25.653 1.00 0.53 C ATOM 0 H LEU A 41 -10.029 -15.393 -28.572 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.487 -15.276 -26.911 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.708 -13.239 -28.992 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.862 -13.089 -27.681 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.916 -13.446 -27.117 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.703 -11.012 -26.983 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.087 -11.554 -28.634 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.357 -10.834 -27.615 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.529 -12.270 -25.042 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.211 -12.151 -25.612 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.497 -13.745 -25.272 1.00 0.53 H new ATOM 627 N ASN A 42 -13.973 -15.717 -28.934 1.00 0.11 N ATOM 628 CA ASN A 42 -14.748 -16.249 -30.044 1.00 0.15 C ATOM 629 C ASN A 42 -14.839 -15.206 -31.149 1.00 0.14 C ATOM 630 O ASN A 42 -15.855 -14.531 -31.309 1.00 0.17 O ATOM 631 CB ASN A 42 -16.152 -16.673 -29.599 1.00 0.22 C ATOM 632 CG ASN A 42 -16.948 -17.332 -30.716 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.394 -18.004 -31.586 1.00 1.53 O ATOM 634 ND2 ASN A 42 -18.259 -17.135 -30.703 1.00 1.37 N ATOM 0 H ASN A 42 -14.524 -15.434 -28.124 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.240 -17.137 -30.420 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.070 -17.364 -28.760 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.694 -15.799 -29.239 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.844 -17.546 -31.430 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.683 -16.572 -29.966 1.00 1.37 H new ATOM 641 N PHE A 43 -13.741 -15.043 -31.868 1.00 0.12 N ATOM 642 CA PHE A 43 -13.675 -14.095 -32.957 1.00 0.13 C ATOM 643 C PHE A 43 -12.829 -14.673 -34.084 1.00 0.16 C ATOM 644 O PHE A 43 -11.597 -14.648 -34.030 1.00 0.18 O ATOM 645 CB PHE A 43 -13.091 -12.765 -32.468 1.00 0.12 C ATOM 646 CG PHE A 43 -13.367 -11.610 -33.390 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.499 -10.830 -33.223 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.497 -11.308 -34.422 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.758 -9.770 -34.070 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.747 -10.249 -35.272 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.881 -9.479 -35.096 1.00 0.28 C ATOM 0 H PHE A 43 -12.877 -15.563 -31.711 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.681 -13.906 -33.332 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.500 -12.539 -31.483 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.013 -12.874 -32.348 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.187 -11.053 -32.421 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.611 -11.908 -34.565 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.645 -9.170 -33.930 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -12.058 -10.023 -36.072 1.00 0.27 H new ATOM 0 HZ PHE A 43 -14.081 -8.651 -35.760 1.00 0.28 H new ATOM 661 N GLU A 44 -13.497 -15.233 -35.080 1.00 0.23 N ATOM 662 CA GLU A 44 -12.822 -15.773 -36.253 1.00 0.30 C ATOM 663 C GLU A 44 -12.454 -14.643 -37.203 1.00 0.29 C ATOM 664 O GLU A 44 -13.300 -14.116 -37.926 1.00 0.39 O ATOM 665 CB GLU A 44 -13.726 -16.787 -36.952 1.00 0.44 C ATOM 666 CG GLU A 44 -14.046 -18.001 -36.093 1.00 0.60 C ATOM 667 CD GLU A 44 -15.154 -18.846 -36.682 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.854 -19.752 -37.486 1.00 1.81 O ATOM 669 OE2 GLU A 44 -16.331 -18.589 -36.357 1.00 1.57 O ATOM 0 H GLU A 44 -14.513 -15.326 -35.100 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.908 -16.278 -35.942 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.657 -16.297 -37.237 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.245 -17.118 -37.872 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -13.149 -18.610 -35.980 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.335 -17.671 -35.095 1.00 0.60 H new ATOM 676 N VAL A 45 -11.190 -14.257 -37.167 1.00 0.30 N ATOM 677 CA VAL A 45 -10.694 -13.171 -38.002 1.00 0.38 C ATOM 678 C VAL A 45 -10.540 -13.631 -39.442 1.00 0.45 C ATOM 679 O VAL A 45 -10.904 -12.930 -40.386 1.00 0.58 O ATOM 680 CB VAL A 45 -9.345 -12.648 -37.470 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.546 -12.012 -36.111 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.317 -13.772 -37.377 1.00 0.71 C ATOM 0 H VAL A 45 -10.483 -14.681 -36.566 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.422 -12.360 -37.968 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.965 -11.902 -38.168 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.591 -11.643 -35.737 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.247 -11.182 -36.198 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.945 -12.753 -35.418 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.376 -13.374 -36.999 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.682 -14.544 -36.700 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.158 -14.202 -38.366 1.00 0.71 H new ATOM 692 N GLU A 46 -9.985 -14.814 -39.584 1.00 0.51 N ATOM 693 CA GLU A 46 -9.857 -15.483 -40.836 1.00 0.61 C ATOM 694 C GLU A 46 -10.416 -16.887 -40.631 1.00 0.62 C ATOM 695 O GLU A 46 -10.867 -17.183 -39.528 1.00 0.97 O ATOM 696 CB GLU A 46 -8.371 -15.475 -41.239 1.00 0.75 C ATOM 697 CG GLU A 46 -8.030 -16.331 -42.434 1.00 0.88 C ATOM 698 CD GLU A 46 -8.721 -15.887 -43.709 1.00 1.35 C ATOM 699 OE1 GLU A 46 -9.949 -16.042 -43.800 1.00 2.24 O ATOM 700 OE2 GLU A 46 -8.035 -15.372 -44.618 1.00 1.57 O ATOM 0 H GLU A 46 -9.602 -15.343 -38.801 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.406 -15.002 -41.646 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.073 -14.448 -41.450 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.778 -15.811 -40.389 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.951 -16.313 -42.589 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.304 -17.364 -42.222 1.00 0.88 H new ATOM 707 N ASP A 47 -10.410 -17.694 -41.682 1.00 0.85 N ATOM 708 CA ASP A 47 -10.898 -19.083 -41.689 1.00 0.84 C ATOM 709 C ASP A 47 -10.730 -19.810 -40.353 1.00 0.83 C ATOM 710 O ASP A 47 -9.738 -20.506 -40.140 1.00 1.18 O ATOM 711 CB ASP A 47 -10.124 -19.858 -42.746 1.00 0.90 C ATOM 712 CG ASP A 47 -10.757 -21.188 -43.081 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.694 -21.208 -43.901 1.00 1.30 O ATOM 714 OD2 ASP A 47 -10.303 -22.224 -42.550 1.00 1.55 O ATOM 0 H ASP A 47 -10.054 -17.397 -42.591 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.967 -19.037 -41.895 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -10.054 -19.256 -43.652 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.106 -20.024 -42.394 1.00 0.90 H new ATOM 719 N GLY A 48 -11.675 -19.601 -39.445 1.00 0.65 N ATOM 720 CA GLY A 48 -11.702 -20.347 -38.200 1.00 0.67 C ATOM 721 C GLY A 48 -10.568 -19.953 -37.280 1.00 0.58 C ATOM 722 O GLY A 48 -10.345 -20.579 -36.240 1.00 0.66 O ATOM 0 H GLY A 48 -12.429 -18.922 -39.550 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.654 -20.177 -37.696 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.641 -21.414 -38.415 1.00 0.67 H new ATOM 726 N LYS A 49 -9.861 -18.900 -37.658 1.00 0.48 N ATOM 727 CA LYS A 49 -8.690 -18.466 -36.933 1.00 0.44 C ATOM 728 C LYS A 49 -9.115 -17.792 -35.640 1.00 0.36 C ATOM 729 O LYS A 49 -9.686 -16.703 -35.656 1.00 0.35 O ATOM 730 CB LYS A 49 -7.861 -17.515 -37.799 1.00 0.50 C ATOM 731 CG LYS A 49 -7.190 -18.189 -38.987 1.00 0.71 C ATOM 732 CD LYS A 49 -6.165 -19.239 -38.569 1.00 0.93 C ATOM 733 CE LYS A 49 -4.937 -18.629 -37.903 1.00 1.41 C ATOM 734 NZ LYS A 49 -3.920 -19.669 -37.583 1.00 2.50 N ATOM 0 H LYS A 49 -10.086 -18.328 -38.472 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.071 -19.329 -36.689 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.506 -16.716 -38.164 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.096 -17.048 -37.179 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.951 -18.659 -39.610 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.699 -17.432 -39.599 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -6.633 -19.945 -37.882 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.854 -19.806 -39.446 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.498 -17.879 -38.562 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -5.234 -18.115 -36.989 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.097 -19.222 -37.131 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.333 -20.370 -36.935 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -3.619 -20.142 -38.459 1.00 2.50 H new ATOM 748 N LYS A 50 -8.838 -18.455 -34.531 1.00 0.37 N ATOM 749 CA LYS A 50 -9.300 -18.004 -33.232 1.00 0.32 C ATOM 750 C LYS A 50 -8.419 -16.876 -32.725 1.00 0.27 C ATOM 751 O LYS A 50 -7.191 -16.986 -32.734 1.00 0.36 O ATOM 752 CB LYS A 50 -9.276 -19.174 -32.249 1.00 0.41 C ATOM 753 CG LYS A 50 -10.264 -19.038 -31.099 1.00 0.47 C ATOM 754 CD LYS A 50 -11.714 -19.130 -31.576 1.00 0.47 C ATOM 755 CE LYS A 50 -12.147 -20.564 -31.884 1.00 0.69 C ATOM 756 NZ LYS A 50 -11.443 -21.143 -33.064 1.00 1.32 N ATOM 0 H LYS A 50 -8.290 -19.315 -34.506 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.320 -17.632 -33.323 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.490 -20.095 -32.791 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.270 -19.271 -31.841 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.074 -19.820 -30.363 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.107 -18.083 -30.597 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.370 -18.713 -30.812 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.837 -18.518 -32.470 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -11.959 -21.190 -31.012 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -13.222 -20.583 -32.064 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -12.063 -21.833 -33.534 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -11.202 -20.383 -33.732 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -10.572 -21.618 -32.750 1.00 1.32 H new ATOM 770 N LEU A 51 -9.044 -15.787 -32.303 1.00 0.19 N ATOM 771 CA LEU A 51 -8.309 -14.661 -31.762 1.00 0.13 C ATOM 772 C LEU A 51 -7.665 -15.011 -30.434 1.00 0.12 C ATOM 773 O LEU A 51 -8.331 -15.487 -29.515 1.00 0.16 O ATOM 774 CB LEU A 51 -9.206 -13.445 -31.574 1.00 0.13 C ATOM 775 CG LEU A 51 -8.956 -12.296 -32.558 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.734 -11.062 -32.154 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.474 -11.969 -32.645 1.00 0.16 C ATOM 0 H LEU A 51 -10.056 -15.662 -32.326 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.531 -14.419 -32.486 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.245 -13.761 -31.665 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.075 -13.069 -30.559 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.300 -12.620 -33.540 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.541 -10.260 -32.867 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.800 -11.291 -32.145 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.423 -10.745 -31.159 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.323 -11.151 -33.349 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.108 -11.674 -31.662 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.927 -12.848 -32.987 1.00 0.16 H new ATOM 789 N PHE A 52 -6.374 -14.763 -30.341 1.00 0.12 N ATOM 790 CA PHE A 52 -5.652 -14.975 -29.104 1.00 0.11 C ATOM 791 C PHE A 52 -5.181 -13.638 -28.557 1.00 0.10 C ATOM 792 O PHE A 52 -5.061 -12.658 -29.299 1.00 0.12 O ATOM 793 CB PHE A 52 -4.453 -15.910 -29.321 1.00 0.14 C ATOM 794 CG PHE A 52 -3.224 -15.225 -29.858 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.168 -14.803 -31.173 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.129 -15.000 -29.036 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.044 -14.165 -31.659 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.003 -14.365 -29.517 1.00 0.37 C ATOM 799 CZ PHE A 52 -0.960 -13.945 -30.830 1.00 0.39 C ATOM 0 H PHE A 52 -5.802 -14.413 -31.110 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.322 -15.447 -28.385 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.204 -16.388 -28.374 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.744 -16.702 -30.011 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -4.011 -14.974 -31.826 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.159 -15.326 -28.007 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.012 -13.838 -32.688 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.157 -14.197 -28.867 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.081 -13.445 -31.210 1.00 0.39 H new ATOM 809 N PHE A 53 -4.935 -13.598 -27.266 1.00 0.10 N ATOM 810 CA PHE A 53 -4.379 -12.420 -26.642 1.00 0.10 C ATOM 811 C PHE A 53 -3.466 -12.826 -25.504 1.00 0.11 C ATOM 812 O PHE A 53 -3.630 -13.897 -24.918 1.00 0.13 O ATOM 813 CB PHE A 53 -5.488 -11.481 -26.148 1.00 0.10 C ATOM 814 CG PHE A 53 -6.300 -11.989 -24.989 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.842 -11.864 -23.683 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.534 -12.571 -25.205 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.603 -12.317 -22.624 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.294 -13.025 -24.152 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.830 -12.898 -22.858 1.00 0.14 C ATOM 0 H PHE A 53 -5.113 -14.372 -26.626 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.795 -11.874 -27.384 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -5.035 -10.531 -25.863 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.163 -11.276 -26.979 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.881 -11.408 -23.495 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.907 -12.671 -26.214 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.237 -12.216 -21.613 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.255 -13.481 -24.338 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.427 -13.253 -22.031 1.00 0.14 H new ATOM 829 N HIS A 54 -2.502 -11.986 -25.203 1.00 0.13 N ATOM 830 CA HIS A 54 -1.598 -12.256 -24.111 1.00 0.15 C ATOM 831 C HIS A 54 -2.115 -11.565 -22.850 1.00 0.15 C ATOM 832 O HIS A 54 -2.733 -10.503 -22.930 1.00 0.16 O ATOM 833 CB HIS A 54 -0.186 -11.784 -24.473 1.00 0.18 C ATOM 834 CG HIS A 54 0.874 -12.255 -23.526 1.00 0.21 C ATOM 835 ND1 HIS A 54 2.023 -11.554 -23.244 1.00 0.34 N ATOM 836 CD2 HIS A 54 0.944 -13.396 -22.797 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.741 -12.273 -22.372 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.128 -13.401 -22.069 1.00 0.27 N ATOM 0 H HIS A 54 -2.325 -11.112 -25.698 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.549 -13.328 -23.921 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.057 -12.133 -25.477 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.174 -10.694 -24.503 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.198 -14.177 -22.784 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.696 -11.969 -21.970 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.455 -14.127 -21.432 1.00 0.27 H new ATOM 846 N MET A 55 -1.856 -12.171 -21.699 1.00 0.16 N ATOM 847 CA MET A 55 -2.346 -11.684 -20.405 1.00 0.17 C ATOM 848 C MET A 55 -1.736 -10.320 -20.045 1.00 0.17 C ATOM 849 O MET A 55 -1.996 -9.781 -18.973 1.00 0.27 O ATOM 850 CB MET A 55 -2.011 -12.728 -19.330 1.00 0.24 C ATOM 851 CG MET A 55 -2.925 -12.697 -18.115 1.00 0.76 C ATOM 852 SD MET A 55 -2.612 -14.050 -16.961 1.00 1.86 S ATOM 853 CE MET A 55 -0.895 -13.766 -16.559 1.00 2.43 C ATOM 0 H MET A 55 -1.296 -13.021 -21.631 1.00 0.16 H new ATOM 0 HA MET A 55 -3.425 -11.543 -20.464 1.00 0.17 H new ATOM 0 HB2 MET A 55 -2.057 -13.720 -19.778 1.00 0.24 H new ATOM 0 HB3 MET A 55 -0.984 -12.575 -19.000 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.798 -11.747 -17.596 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.962 -12.742 -18.446 1.00 0.76 H new ATOM 0 HE1 MET A 55 -0.586 -14.457 -15.775 1.00 2.43 H new ATOM 0 HE2 MET A 55 -0.282 -13.926 -17.446 1.00 2.43 H new ATOM 0 HE3 MET A 55 -0.768 -12.741 -16.210 1.00 2.43 H new ATOM 863 N SER A 56 -0.930 -9.768 -20.951 1.00 0.16 N ATOM 864 CA SER A 56 -0.354 -8.443 -20.767 1.00 0.19 C ATOM 865 C SER A 56 -1.280 -7.363 -21.342 1.00 0.17 C ATOM 866 O SER A 56 -1.157 -6.186 -21.001 1.00 0.24 O ATOM 867 CB SER A 56 1.023 -8.377 -21.433 1.00 0.26 C ATOM 868 OG SER A 56 1.669 -7.149 -21.156 1.00 0.91 O ATOM 0 H SER A 56 -0.662 -10.223 -21.823 1.00 0.16 H new ATOM 0 HA SER A 56 -0.240 -8.257 -19.699 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.640 -9.203 -21.080 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.914 -8.498 -22.511 1.00 0.26 H new ATOM 0 HG SER A 56 0.997 -6.449 -21.019 1.00 0.91 H new ATOM 874 N GLU A 57 -2.195 -7.770 -22.227 1.00 0.14 N ATOM 875 CA GLU A 57 -3.191 -6.865 -22.790 1.00 0.17 C ATOM 876 C GLU A 57 -4.392 -6.791 -21.858 1.00 0.16 C ATOM 877 O GLU A 57 -5.271 -5.951 -22.015 1.00 0.20 O ATOM 878 CB GLU A 57 -3.648 -7.366 -24.165 1.00 0.22 C ATOM 879 CG GLU A 57 -2.520 -7.536 -25.164 1.00 0.32 C ATOM 880 CD GLU A 57 -1.782 -6.243 -25.424 1.00 1.10 C ATOM 881 OE1 GLU A 57 -2.449 -5.224 -25.707 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.536 -6.245 -25.347 1.00 1.20 O ATOM 0 H GLU A 57 -2.263 -8.729 -22.569 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.746 -5.876 -22.902 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -4.158 -8.322 -24.041 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.378 -6.666 -24.572 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -1.819 -8.283 -24.793 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -2.923 -7.916 -26.103 1.00 0.32 H new ATOM 889 N VAL A 58 -4.403 -7.699 -20.893 1.00 0.17 N ATOM 890 CA VAL A 58 -5.517 -7.877 -19.978 1.00 0.17 C ATOM 891 C VAL A 58 -5.748 -6.650 -19.084 1.00 0.20 C ATOM 892 O VAL A 58 -4.811 -5.946 -18.706 1.00 0.27 O ATOM 893 CB VAL A 58 -5.296 -9.164 -19.149 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.812 -9.059 -17.732 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.938 -10.351 -19.848 1.00 0.22 C ATOM 0 H VAL A 58 -3.628 -8.340 -20.723 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.429 -7.985 -20.565 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.218 -9.307 -19.079 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.625 -9.995 -17.206 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.300 -8.246 -17.218 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.884 -8.860 -17.749 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.777 -11.252 -19.257 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.008 -10.174 -19.956 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.490 -10.479 -20.833 1.00 0.22 H new ATOM 905 N GLN A 59 -7.022 -6.421 -18.766 1.00 0.20 N ATOM 906 CA GLN A 59 -7.477 -5.234 -18.045 1.00 0.25 C ATOM 907 C GLN A 59 -6.910 -5.176 -16.628 1.00 0.34 C ATOM 908 O GLN A 59 -7.423 -5.825 -15.712 1.00 0.57 O ATOM 909 CB GLN A 59 -9.017 -5.229 -18.008 1.00 0.31 C ATOM 910 CG GLN A 59 -9.659 -3.894 -17.639 1.00 0.41 C ATOM 911 CD GLN A 59 -9.675 -3.621 -16.145 1.00 0.77 C ATOM 912 OE1 GLN A 59 -8.765 -3.002 -15.600 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.718 -4.078 -15.472 1.00 1.25 N ATOM 0 H GLN A 59 -7.777 -7.064 -19.006 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.114 -4.351 -18.570 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.388 -5.533 -18.987 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.349 -5.982 -17.293 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -9.121 -3.090 -18.141 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.682 -3.876 -18.014 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -11.455 -4.588 -15.959 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.785 -3.920 -14.467 1.00 1.25 H new ATOM 922 N GLY A 60 -5.848 -4.399 -16.463 1.00 0.40 N ATOM 923 CA GLY A 60 -5.326 -4.105 -15.142 1.00 0.49 C ATOM 924 C GLY A 60 -4.571 -5.259 -14.521 1.00 0.44 C ATOM 925 O GLY A 60 -3.340 -5.262 -14.484 1.00 0.58 O ATOM 0 H GLY A 60 -5.334 -3.963 -17.229 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.665 -3.241 -15.205 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -6.152 -3.827 -14.487 1.00 0.49 H new ATOM 929 N ASN A 61 -5.308 -6.232 -14.016 1.00 0.47 N ATOM 930 CA ASN A 61 -4.709 -7.363 -13.342 1.00 0.52 C ATOM 931 C ASN A 61 -5.074 -8.646 -14.058 1.00 0.52 C ATOM 932 O ASN A 61 -6.151 -8.764 -14.639 1.00 0.49 O ATOM 933 CB ASN A 61 -5.153 -7.428 -11.886 1.00 0.63 C ATOM 934 CG ASN A 61 -4.494 -8.560 -11.126 1.00 1.27 C ATOM 935 OD1 ASN A 61 -5.001 -9.681 -11.092 1.00 2.20 O ATOM 936 ND2 ASN A 61 -3.359 -8.275 -10.513 1.00 1.71 N ATOM 0 H ASN A 61 -6.327 -6.259 -14.062 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.626 -7.239 -13.361 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -4.920 -6.482 -11.396 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -6.235 -7.550 -11.845 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -2.869 -8.998 -9.986 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -2.973 -7.332 -10.567 1.00 1.71 H new ATOM 943 N THR A 62 -4.184 -9.605 -13.979 1.00 0.62 N ATOM 944 CA THR A 62 -4.286 -10.825 -14.744 1.00 0.71 C ATOM 945 C THR A 62 -5.444 -11.708 -14.274 1.00 0.70 C ATOM 946 O THR A 62 -5.944 -12.542 -15.026 1.00 0.82 O ATOM 947 CB THR A 62 -2.955 -11.580 -14.644 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.752 -12.046 -13.303 1.00 0.87 O ATOM 949 CG2 THR A 62 -1.817 -10.644 -15.025 1.00 0.95 C ATOM 0 H THR A 62 -3.362 -9.561 -13.377 1.00 0.62 H new ATOM 0 HA THR A 62 -4.495 -10.567 -15.782 1.00 0.71 H new ATOM 0 HB THR A 62 -2.978 -12.434 -15.320 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.901 -12.528 -13.250 1.00 0.87 H new ATOM 0 HG21 THR A 62 -0.869 -11.177 -14.955 1.00 0.95 H new ATOM 0 HG22 THR A 62 -1.961 -10.293 -16.047 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.805 -9.791 -14.346 1.00 0.95 H new ATOM 957 N VAL A 63 -5.878 -11.504 -13.034 1.00 0.63 N ATOM 958 CA VAL A 63 -6.965 -12.287 -12.467 1.00 0.71 C ATOM 959 C VAL A 63 -8.279 -11.507 -12.555 1.00 0.64 C ATOM 960 O VAL A 63 -9.320 -11.943 -12.068 1.00 0.74 O ATOM 961 CB VAL A 63 -6.663 -12.671 -10.996 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.626 -13.741 -10.497 1.00 1.39 C ATOM 963 CG2 VAL A 63 -5.220 -13.137 -10.854 1.00 1.31 C ATOM 0 H VAL A 63 -5.491 -10.801 -12.404 1.00 0.63 H new ATOM 0 HA VAL A 63 -7.061 -13.207 -13.044 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.804 -11.783 -10.379 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.389 -13.990 -9.462 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.648 -13.367 -10.556 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -7.531 -14.633 -11.116 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -5.024 -13.403 -9.815 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -5.055 -14.008 -11.489 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.547 -12.335 -11.156 1.00 1.31 H new ATOM 973 N ALA A 64 -8.229 -10.347 -13.198 1.00 0.55 N ATOM 974 CA ALA A 64 -9.416 -9.521 -13.358 1.00 0.53 C ATOM 975 C ALA A 64 -10.213 -9.964 -14.576 1.00 0.44 C ATOM 976 O ALA A 64 -11.426 -9.762 -14.649 1.00 0.56 O ATOM 977 CB ALA A 64 -9.039 -8.053 -13.478 1.00 0.57 C ATOM 0 H ALA A 64 -7.383 -9.959 -13.615 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.038 -9.644 -12.471 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.942 -7.454 -13.597 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.511 -7.738 -12.578 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.394 -7.913 -14.345 1.00 0.57 H new ATOM 983 N LEU A 65 -9.523 -10.574 -15.527 1.00 0.35 N ATOM 984 CA LEU A 65 -10.153 -11.031 -16.752 1.00 0.25 C ATOM 985 C LEU A 65 -10.335 -12.550 -16.699 1.00 0.22 C ATOM 986 O LEU A 65 -9.373 -13.284 -16.482 1.00 0.26 O ATOM 987 CB LEU A 65 -9.291 -10.611 -17.956 1.00 0.23 C ATOM 988 CG LEU A 65 -10.030 -10.463 -19.292 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.356 -11.825 -19.884 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.288 -9.642 -19.092 1.00 1.21 C ATOM 0 H LEU A 65 -8.522 -10.764 -15.472 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.138 -10.576 -16.860 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.812 -9.660 -17.721 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.496 -11.346 -18.083 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.382 -9.944 -19.999 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.880 -11.694 -20.831 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.432 -12.378 -20.054 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -10.990 -12.380 -19.192 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.810 -9.539 -20.043 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.938 -10.141 -18.373 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -11.022 -8.654 -18.715 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.565 -13.016 -16.896 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.867 -14.441 -16.797 1.00 0.21 C ATOM 1004 C HIS A 66 -12.514 -14.957 -18.080 1.00 0.15 C ATOM 1005 O HIS A 66 -13.124 -14.189 -18.826 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.799 -14.719 -15.610 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.167 -14.517 -14.267 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.035 -15.177 -13.843 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.535 -13.710 -13.241 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -10.756 -14.763 -12.603 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -11.638 -13.872 -12.189 1.00 0.91 N ATOM 0 H HIS A 66 -12.367 -12.429 -17.125 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.923 -14.964 -16.643 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.671 -14.070 -15.689 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.158 -15.746 -15.678 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.388 -13.047 -13.240 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -9.919 -15.112 -12.017 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -11.658 -13.400 -11.285 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.378 -16.268 -18.356 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.012 -16.902 -19.515 1.00 0.14 C ATOM 1021 C PRO A 67 -14.529 -16.960 -19.380 1.00 0.15 C ATOM 1022 O PRO A 67 -15.054 -17.138 -18.281 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.420 -18.314 -19.525 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.992 -18.561 -18.120 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.581 -17.227 -17.566 1.00 0.19 C ATOM 0 HA PRO A 67 -12.827 -16.346 -20.434 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.157 -19.049 -19.848 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.577 -18.384 -20.213 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.805 -18.991 -17.535 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.164 -19.269 -18.084 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.800 -17.150 -16.501 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.511 -17.055 -17.685 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.229 -16.806 -20.496 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.678 -16.804 -20.472 1.00 0.18 C ATOM 1035 C GLY A 68 -17.248 -15.424 -20.213 1.00 0.18 C ATOM 1036 O GLY A 68 -18.446 -15.202 -20.373 1.00 0.22 O ATOM 0 H GLY A 68 -14.817 -16.682 -21.421 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.055 -17.177 -21.424 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.027 -17.489 -19.700 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.388 -14.499 -19.809 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.792 -13.119 -19.576 1.00 0.20 C ATOM 1042 C ASP A 69 -16.688 -12.311 -20.861 1.00 0.13 C ATOM 1043 O ASP A 69 -15.904 -12.652 -21.754 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.913 -12.468 -18.506 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.521 -12.524 -17.122 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.122 -11.510 -16.699 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.397 -13.566 -16.446 1.00 1.09 O ATOM 0 H ASP A 69 -15.400 -14.681 -19.635 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.827 -13.129 -19.233 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.943 -12.965 -18.490 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.734 -11.427 -18.776 1.00 0.27 H new ATOM 1052 N THR A 70 -17.482 -11.252 -20.961 1.00 0.13 N ATOM 1053 CA THR A 70 -17.397 -10.357 -22.099 1.00 0.11 C ATOM 1054 C THR A 70 -16.177 -9.460 -21.956 1.00 0.10 C ATOM 1055 O THR A 70 -15.867 -8.988 -20.859 1.00 0.14 O ATOM 1056 CB THR A 70 -18.652 -9.477 -22.226 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.813 -10.227 -21.834 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.814 -8.996 -23.659 1.00 0.15 C ATOM 0 H THR A 70 -18.187 -10.996 -20.270 1.00 0.13 H new ATOM 0 HA THR A 70 -17.315 -10.971 -22.996 1.00 0.11 H new ATOM 0 HB THR A 70 -18.542 -8.612 -21.573 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.586 -9.627 -21.776 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.706 -8.374 -23.735 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.939 -8.413 -23.948 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.913 -9.855 -24.322 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.473 -9.249 -23.050 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.285 -8.419 -23.045 1.00 0.12 C ATOM 1068 C VAL A 71 -14.268 -7.542 -24.269 1.00 0.12 C ATOM 1069 O VAL A 71 -15.000 -7.773 -25.236 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.997 -9.256 -23.028 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -13.045 -10.259 -21.897 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.779 -9.956 -24.358 1.00 0.24 C ATOM 0 H VAL A 71 -15.706 -9.645 -23.961 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.319 -7.816 -22.138 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.154 -8.584 -22.867 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.128 -10.847 -21.893 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.142 -9.732 -20.948 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.900 -10.921 -22.034 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.860 -10.540 -24.315 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.621 -10.618 -24.563 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.700 -9.213 -25.152 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.450 -6.529 -24.209 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.206 -5.695 -25.350 1.00 0.14 C ATOM 1084 C GLU A 72 -11.739 -5.825 -25.738 1.00 0.14 C ATOM 1085 O GLU A 72 -10.892 -6.076 -24.887 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.594 -4.253 -25.037 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.527 -3.253 -25.395 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.002 -1.830 -25.316 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.227 -0.955 -24.877 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.175 -1.581 -25.635 1.00 0.78 O ATOM 0 H GLU A 72 -12.936 -6.259 -23.370 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.817 -6.010 -26.196 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.508 -4.006 -25.577 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.818 -4.168 -23.974 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.676 -3.383 -24.726 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.172 -3.456 -26.405 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.451 -5.686 -27.015 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.106 -5.882 -27.516 1.00 0.08 C ATOM 1099 C PHE A 73 -9.925 -5.137 -28.822 1.00 0.07 C ATOM 1100 O PHE A 73 -10.853 -4.509 -29.319 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.826 -7.376 -27.709 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.849 -8.077 -28.552 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.666 -8.224 -29.915 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -11.999 -8.587 -27.978 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.611 -8.868 -30.685 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.942 -9.232 -28.740 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.751 -9.372 -30.098 1.00 0.10 C ATOM 0 H PHE A 73 -12.135 -5.436 -27.729 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.397 -5.488 -26.788 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.845 -7.496 -28.169 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.781 -7.857 -26.732 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.774 -7.831 -30.381 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.158 -8.477 -26.915 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.458 -8.977 -31.748 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.833 -9.629 -28.276 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.493 -9.875 -30.700 1.00 0.10 H new ATOM 1117 N SER A 74 -8.734 -5.200 -29.372 1.00 0.09 N ATOM 1118 CA SER A 74 -8.460 -4.553 -30.635 1.00 0.10 C ATOM 1119 C SER A 74 -7.921 -5.579 -31.605 1.00 0.12 C ATOM 1120 O SER A 74 -7.050 -6.370 -31.252 1.00 0.19 O ATOM 1121 CB SER A 74 -7.462 -3.410 -30.433 1.00 0.15 C ATOM 1122 OG SER A 74 -7.875 -2.561 -29.371 1.00 0.86 O ATOM 0 H SER A 74 -7.939 -5.693 -28.965 1.00 0.09 H new ATOM 0 HA SER A 74 -9.377 -4.128 -31.043 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.475 -3.818 -30.216 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.373 -2.832 -31.353 1.00 0.15 H new ATOM 0 HG SER A 74 -7.647 -2.976 -28.513 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.452 -5.593 -32.811 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.077 -6.609 -33.765 1.00 0.19 C ATOM 1130 C VAL A 75 -6.998 -6.080 -34.716 1.00 0.20 C ATOM 1131 O VAL A 75 -7.273 -5.333 -35.654 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.322 -7.138 -34.524 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.119 -6.004 -35.141 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.938 -8.160 -35.582 1.00 0.36 C ATOM 0 H VAL A 75 -9.138 -4.918 -33.149 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.649 -7.456 -33.228 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.956 -7.636 -33.790 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.984 -6.410 -35.665 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.455 -5.327 -34.356 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.491 -5.459 -35.846 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.835 -8.509 -36.094 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.264 -7.700 -36.305 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.439 -9.005 -35.107 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.752 -6.433 -34.419 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.620 -6.033 -35.240 1.00 0.26 C ATOM 1146 C VAL A 76 -4.099 -7.217 -36.049 1.00 0.25 C ATOM 1147 O VAL A 76 -3.811 -8.281 -35.501 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.472 -5.435 -34.381 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.003 -6.420 -33.319 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.302 -4.997 -35.258 1.00 0.42 C ATOM 0 H VAL A 76 -5.502 -7.000 -33.609 1.00 0.19 H new ATOM 0 HA VAL A 76 -4.971 -5.259 -35.922 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.868 -4.556 -33.873 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.199 -5.971 -32.736 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.835 -6.668 -32.660 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.638 -7.328 -33.800 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.513 -4.582 -34.631 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.916 -5.857 -35.806 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.640 -4.239 -35.964 1.00 0.42 H new ATOM 1160 N THR A 77 -3.995 -7.029 -37.354 1.00 0.34 N ATOM 1161 CA THR A 77 -3.545 -8.076 -38.256 1.00 0.38 C ATOM 1162 C THR A 77 -2.039 -8.299 -38.139 1.00 0.44 C ATOM 1163 O THR A 77 -1.255 -7.348 -38.128 1.00 0.56 O ATOM 1164 CB THR A 77 -3.892 -7.721 -39.712 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.265 -7.312 -39.787 1.00 0.67 O ATOM 1166 CG2 THR A 77 -3.654 -8.913 -40.636 1.00 0.62 C ATOM 0 H THR A 77 -4.220 -6.148 -37.817 1.00 0.34 H new ATOM 0 HA THR A 77 -4.059 -8.994 -37.972 1.00 0.38 H new ATOM 0 HB THR A 77 -3.246 -6.905 -40.037 1.00 0.57 H new ATOM 0 HG1 THR A 77 -5.488 -7.084 -40.714 1.00 0.67 H new ATOM 0 HG21 THR A 77 -3.907 -8.636 -41.659 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.605 -9.207 -40.588 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.280 -9.748 -40.321 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.644 -9.556 -38.031 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.239 -9.921 -38.045 1.00 0.57 C ATOM 1176 C ASN A 78 0.285 -9.826 -39.468 1.00 0.66 C ATOM 1177 O ASN A 78 -0.163 -10.564 -40.345 1.00 0.70 O ATOM 1178 CB ASN A 78 -0.042 -11.348 -37.522 1.00 0.64 C ATOM 1179 CG ASN A 78 -0.399 -11.531 -36.051 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.738 -12.638 -35.627 1.00 1.82 O ATOM 1181 ND2 ASN A 78 -0.349 -10.461 -35.271 1.00 1.54 N ATOM 0 H ASN A 78 -2.282 -10.346 -37.932 1.00 0.44 H new ATOM 0 HA ASN A 78 0.309 -9.237 -37.396 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.649 -12.028 -38.119 1.00 0.64 H new ATOM 0 HB3 ASN A 78 0.999 -11.636 -37.670 1.00 0.64 H new ATOM 0 HD21 ASN A 78 -0.596 -10.537 -34.284 1.00 1.54 H new ATOM 0 HD22 ASN A 78 -0.064 -9.561 -35.657 1.00 1.54 H new ATOM 1188 N GLN A 79 1.233 -8.926 -39.692 1.00 0.79 N ATOM 1189 CA GLN A 79 1.747 -8.665 -41.032 1.00 0.91 C ATOM 1190 C GLN A 79 2.326 -9.925 -41.682 1.00 0.94 C ATOM 1191 O GLN A 79 2.318 -10.059 -42.903 1.00 1.06 O ATOM 1192 CB GLN A 79 2.809 -7.559 -40.990 1.00 1.09 C ATOM 1193 CG GLN A 79 4.071 -7.929 -40.219 1.00 1.18 C ATOM 1194 CD GLN A 79 5.109 -6.825 -40.237 1.00 1.43 C ATOM 1195 OE1 GLN A 79 5.174 -6.038 -41.179 1.00 1.95 O ATOM 1196 NE2 GLN A 79 5.936 -6.762 -39.202 1.00 1.90 N ATOM 0 H GLN A 79 1.664 -8.361 -38.960 1.00 0.79 H new ATOM 0 HA GLN A 79 0.906 -8.336 -41.643 1.00 0.91 H new ATOM 0 HB2 GLN A 79 3.085 -7.298 -42.012 1.00 1.09 H new ATOM 0 HB3 GLN A 79 2.371 -6.668 -40.540 1.00 1.09 H new ATOM 0 HG2 GLN A 79 3.808 -8.158 -39.186 1.00 1.18 H new ATOM 0 HG3 GLN A 79 4.501 -8.834 -40.647 1.00 1.18 H new ATOM 0 HE21 GLN A 79 5.850 -7.434 -38.439 1.00 1.90 H new ATOM 0 HE22 GLN A 79 6.658 -6.042 -39.169 1.00 1.90 H new ATOM 1205 N ARG A 80 2.814 -10.848 -40.865 1.00 0.93 N ATOM 1206 CA ARG A 80 3.464 -12.045 -41.382 1.00 1.03 C ATOM 1207 C ARG A 80 2.487 -13.219 -41.504 1.00 1.02 C ATOM 1208 O ARG A 80 2.382 -13.836 -42.561 1.00 1.21 O ATOM 1209 CB ARG A 80 4.650 -12.423 -40.486 1.00 1.18 C ATOM 1210 CG ARG A 80 5.410 -13.664 -40.941 1.00 1.35 C ATOM 1211 CD ARG A 80 5.951 -13.517 -42.357 1.00 1.67 C ATOM 1212 NE ARG A 80 6.907 -12.419 -42.486 1.00 2.41 N ATOM 1213 CZ ARG A 80 7.721 -12.262 -43.528 1.00 3.02 C ATOM 1214 NH1 ARG A 80 7.723 -13.159 -44.511 1.00 3.01 N ATOM 1215 NH2 ARG A 80 8.522 -11.207 -43.594 1.00 3.99 N ATOM 0 H ARG A 80 2.773 -10.792 -39.847 1.00 0.93 H new ATOM 0 HA ARG A 80 3.827 -11.822 -42.385 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.342 -11.582 -40.446 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.286 -12.586 -39.471 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.236 -13.854 -40.256 1.00 1.35 H new ATOM 0 HG3 ARG A 80 4.750 -14.530 -40.893 1.00 1.35 H new ATOM 0 HD2 ARG A 80 6.432 -14.448 -42.656 1.00 1.67 H new ATOM 0 HD3 ARG A 80 5.120 -13.352 -43.043 1.00 1.67 H new ATOM 0 HE ARG A 80 6.953 -11.732 -41.733 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.101 -13.966 -44.466 1.00 3.01 H new ATOM 0 HH12 ARG A 80 8.346 -13.039 -45.309 1.00 3.01 H new ATOM 0 HH21 ARG A 80 8.515 -10.514 -42.846 1.00 3.99 H new ATOM 0 HH22 ARG A 80 9.145 -11.089 -44.393 1.00 3.99 H new ATOM 1229 N ASN A 81 1.768 -13.516 -40.428 1.00 0.91 N ATOM 1230 CA ASN A 81 0.922 -14.711 -40.388 1.00 1.01 C ATOM 1231 C ASN A 81 -0.423 -14.481 -41.073 1.00 0.87 C ATOM 1232 O ASN A 81 -1.003 -15.407 -41.648 1.00 1.04 O ATOM 1233 CB ASN A 81 0.683 -15.155 -38.941 1.00 1.16 C ATOM 1234 CG ASN A 81 1.971 -15.403 -38.182 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.508 -14.497 -37.543 1.00 1.95 O ATOM 1236 ND2 ASN A 81 2.470 -16.628 -38.236 1.00 2.21 N ATOM 0 H ASN A 81 1.751 -12.954 -39.577 1.00 0.91 H new ATOM 0 HA ASN A 81 1.453 -15.494 -40.930 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.103 -14.392 -38.423 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.085 -16.066 -38.940 1.00 1.16 H new ATOM 0 HD21 ASN A 81 3.331 -16.850 -37.736 1.00 2.21 H new ATOM 0 HD22 ASN A 81 1.993 -17.349 -38.777 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.919 -13.255 -41.011 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.204 -12.945 -41.610 1.00 0.69 C ATOM 1245 C GLY A 82 -3.336 -12.948 -40.600 1.00 0.52 C ATOM 1246 O GLY A 82 -4.375 -12.335 -40.823 1.00 0.58 O ATOM 0 H GLY A 82 -0.456 -12.468 -40.557 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.151 -11.967 -42.088 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.420 -13.671 -42.394 1.00 0.69 H new ATOM 1250 N LYS A 83 -3.133 -13.638 -39.483 1.00 0.45 N ATOM 1251 CA LYS A 83 -4.129 -13.675 -38.420 1.00 0.39 C ATOM 1252 C LYS A 83 -3.994 -12.434 -37.557 1.00 0.35 C ATOM 1253 O LYS A 83 -3.004 -11.727 -37.646 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.974 -14.931 -37.555 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.591 -15.088 -36.939 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.566 -16.180 -35.881 1.00 1.01 C ATOM 1257 CE LYS A 83 -1.178 -16.353 -35.280 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.736 -15.157 -34.513 1.00 2.42 N ATOM 0 H LYS A 83 -2.289 -14.178 -39.291 1.00 0.45 H new ATOM 0 HA LYS A 83 -5.118 -13.702 -38.877 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.716 -14.904 -36.757 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -4.192 -15.809 -38.164 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.869 -15.323 -37.721 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.282 -14.143 -36.493 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -3.277 -15.937 -35.091 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.891 -17.122 -36.323 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -1.176 -17.223 -34.623 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.463 -16.554 -36.078 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.294 -15.196 -34.372 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.980 -14.296 -35.042 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -1.212 -15.142 -33.588 1.00 2.42 H new ATOM 1272 N SER A 84 -4.975 -12.169 -36.723 1.00 0.31 N ATOM 1273 CA SER A 84 -4.940 -10.979 -35.899 1.00 0.25 C ATOM 1274 C SER A 84 -4.600 -11.325 -34.453 1.00 0.24 C ATOM 1275 O SER A 84 -4.332 -12.483 -34.124 1.00 0.30 O ATOM 1276 CB SER A 84 -6.279 -10.258 -35.969 1.00 0.27 C ATOM 1277 OG SER A 84 -6.699 -10.096 -37.315 1.00 1.08 O ATOM 0 H SER A 84 -5.800 -12.755 -36.597 1.00 0.31 H new ATOM 0 HA SER A 84 -4.160 -10.320 -36.280 1.00 0.25 H new ATOM 0 HB2 SER A 84 -7.029 -10.822 -35.415 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.196 -9.282 -35.490 1.00 0.27 H new ATOM 0 HG SER A 84 -7.626 -9.780 -37.332 1.00 1.08 H new ATOM 1283 N SER A 85 -4.589 -10.311 -33.601 1.00 0.20 N ATOM 1284 CA SER A 85 -4.322 -10.483 -32.181 1.00 0.20 C ATOM 1285 C SER A 85 -5.108 -9.445 -31.387 1.00 0.18 C ATOM 1286 O SER A 85 -5.305 -8.329 -31.863 1.00 0.26 O ATOM 1287 CB SER A 85 -2.822 -10.336 -31.911 1.00 0.25 C ATOM 1288 OG SER A 85 -2.065 -11.178 -32.769 1.00 0.87 O ATOM 0 H SER A 85 -4.765 -9.344 -33.875 1.00 0.20 H new ATOM 0 HA SER A 85 -4.635 -11.480 -31.870 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.523 -9.298 -32.057 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.610 -10.585 -30.871 1.00 0.25 H new ATOM 0 HG SER A 85 -2.066 -12.092 -32.415 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.580 -9.823 -30.200 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.335 -8.920 -29.351 1.00 0.12 C ATOM 1296 C ALA A 86 -5.398 -8.061 -28.514 1.00 0.13 C ATOM 1297 O ALA A 86 -4.584 -8.574 -27.748 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.292 -9.700 -28.456 1.00 0.13 C ATOM 0 H ALA A 86 -5.449 -10.755 -29.808 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.923 -8.261 -29.990 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.849 -9.006 -27.827 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -7.987 -10.268 -29.074 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.724 -10.385 -27.826 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.512 -6.760 -28.689 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.734 -5.802 -27.921 1.00 0.17 C ATOM 1306 C CYS A 87 -5.664 -4.927 -27.100 1.00 0.17 C ATOM 1307 O CYS A 87 -6.778 -4.633 -27.534 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.893 -4.950 -28.875 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.610 -5.888 -29.736 1.00 0.68 S ATOM 0 H CYS A 87 -6.145 -6.335 -29.366 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.067 -6.330 -27.240 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.550 -4.487 -29.611 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.426 -4.142 -28.312 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.846 -5.071 -30.399 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.208 -4.535 -25.916 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.029 -3.778 -24.970 1.00 0.20 C ATOM 1317 C ASN A 88 -7.314 -4.534 -24.643 1.00 0.18 C ATOM 1318 O ASN A 88 -8.392 -4.202 -25.137 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.354 -2.375 -25.505 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.132 -1.482 -25.610 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.441 -1.469 -26.629 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -4.860 -0.718 -24.561 1.00 1.60 N ATOM 0 H ASN A 88 -4.264 -4.730 -25.583 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.451 -3.661 -24.054 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -6.817 -2.465 -26.488 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.087 -1.903 -24.850 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -4.055 -0.092 -24.581 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -5.456 -0.756 -23.734 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.176 -5.579 -23.836 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.304 -6.402 -23.419 1.00 0.15 C ATOM 1331 C VAL A 89 -8.973 -5.823 -22.177 1.00 0.19 C ATOM 1332 O VAL A 89 -8.415 -5.839 -21.087 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.871 -7.870 -23.151 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -9.008 -8.676 -22.535 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.399 -8.520 -24.446 1.00 0.14 C ATOM 0 H VAL A 89 -6.280 -5.879 -23.453 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.022 -6.402 -24.239 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.046 -7.858 -22.438 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.675 -9.699 -22.359 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.304 -8.223 -21.589 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.859 -8.684 -23.216 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.098 -9.549 -24.248 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.211 -8.513 -25.173 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.551 -7.964 -24.844 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.179 -5.314 -22.360 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.943 -4.712 -21.274 1.00 0.16 C ATOM 1347 C LEU A 90 -12.009 -5.674 -20.763 1.00 0.11 C ATOM 1348 O LEU A 90 -12.532 -6.490 -21.522 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.622 -3.418 -21.742 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.766 -2.142 -21.766 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.304 -1.770 -20.368 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.571 -2.292 -22.694 1.00 1.12 C ATOM 0 H LEU A 90 -10.657 -5.305 -23.261 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.246 -4.485 -20.467 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -12.008 -3.584 -22.748 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.481 -3.236 -21.097 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.393 -1.337 -22.149 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.700 -0.864 -20.413 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -11.172 -1.596 -19.732 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.708 -2.583 -19.954 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.987 -1.372 -22.687 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.948 -3.119 -22.354 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.920 -2.493 -23.707 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.322 -5.582 -19.477 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.413 -6.359 -18.900 1.00 0.18 C ATOM 1366 C LYS A 91 -14.733 -5.681 -19.221 1.00 0.18 C ATOM 1367 O LYS A 91 -14.932 -4.516 -18.885 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.261 -6.486 -17.381 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.276 -7.923 -16.869 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.514 -8.695 -17.324 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.802 -8.123 -16.748 1.00 0.71 C ATOM 1372 NZ LYS A 91 -16.990 -8.919 -17.156 1.00 1.33 N ATOM 0 H LYS A 91 -11.837 -4.978 -18.814 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.388 -7.360 -19.330 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.325 -6.015 -17.080 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.066 -5.932 -16.899 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.382 -8.439 -17.218 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.236 -7.917 -15.780 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.568 -8.679 -18.413 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.418 -9.739 -17.025 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.735 -8.101 -15.660 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.923 -7.092 -17.081 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -17.833 -8.561 -16.664 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -17.127 -8.836 -18.184 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -16.841 -9.918 -16.906 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.624 -6.406 -19.873 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.898 -5.842 -20.283 1.00 0.18 C ATOM 1388 C ILE A 92 -18.068 -6.571 -19.622 1.00 0.27 C ATOM 1389 O ILE A 92 -18.069 -7.797 -19.505 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.052 -5.899 -21.823 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -15.961 -5.068 -22.508 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.431 -5.422 -22.258 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.020 -3.594 -22.193 1.00 0.16 C ATOM 0 H ILE A 92 -15.490 -7.384 -20.130 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.912 -4.801 -19.960 1.00 0.18 H new ATOM 0 HB ILE A 92 -16.942 -6.940 -22.128 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -14.986 -5.453 -22.211 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.041 -5.201 -23.587 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.508 -5.474 -23.344 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.194 -6.058 -21.809 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.579 -4.392 -21.932 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.215 -3.078 -22.716 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.980 -3.191 -22.516 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.908 -3.447 -21.119 1.00 0.16 H new ATOM 1405 N ASN A 93 -19.044 -5.799 -19.164 1.00 0.45 N ATOM 1406 CA ASN A 93 -20.288 -6.350 -18.646 1.00 0.65 C ATOM 1407 C ASN A 93 -21.430 -5.958 -19.576 1.00 0.72 C ATOM 1408 O ASN A 93 -21.422 -4.861 -20.138 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.576 -5.843 -17.223 1.00 0.84 C ATOM 1410 CG ASN A 93 -19.589 -6.361 -16.194 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -19.031 -7.446 -16.341 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -19.378 -5.593 -15.136 1.00 2.57 N ATOM 0 H ASN A 93 -18.997 -4.780 -19.141 1.00 0.45 H new ATOM 0 HA ASN A 93 -20.196 -7.435 -18.600 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -20.555 -4.753 -17.221 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -21.583 -6.143 -16.934 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -18.733 -5.896 -14.406 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -19.861 -4.699 -15.051 1.00 2.57 H new ATOM 1419 N ASP A 94 -22.386 -6.858 -19.762 1.00 0.91 N ATOM 1420 CA ASP A 94 -23.542 -6.581 -20.618 1.00 1.18 C ATOM 1421 C ASP A 94 -24.452 -5.535 -19.985 1.00 1.71 C ATOM 1422 O ASP A 94 -24.844 -4.562 -20.633 1.00 2.21 O ATOM 1423 CB ASP A 94 -24.342 -7.859 -20.896 1.00 1.74 C ATOM 1424 CG ASP A 94 -23.585 -8.853 -21.753 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -23.662 -8.756 -22.998 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -22.908 -9.734 -21.184 1.00 2.81 O ATOM 0 H ASP A 94 -22.388 -7.784 -19.335 1.00 0.91 H new ATOM 0 HA ASP A 94 -23.161 -6.193 -21.563 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -24.606 -8.330 -19.949 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -25.276 -7.596 -21.392 1.00 1.74 H new TER 1431 ASP A 94