USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1029 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 124 HIS : no HD1:sc= -0.497 X(o=-0.78,f=-0.36) USER MOD Set 1.2: A 125 HIS : no HD1:sc= -0.283 K(o=-0.78,f=-0.22) USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 89 GLN : amide:sc= 0.266 X(o=0.27,f=0.68) USER MOD Set 3.1: A 52 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.16) USER MOD Set 3.2: A 78 SER OG : rot 77:sc= 0.147 USER MOD Set 4.1: A 60 SER OG : rot 39:sc= 0.178 USER MOD Set 4.2: A 64 LYS NZ :NH3+ 171:sc= 0.74 (180deg=0.686) USER MOD Set 4.3: A 90 TYR OH : rot 30:sc= 0.86 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.105 (180deg=-0.588) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.283 (180deg=0.18) USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= 0.599 (180deg=0.271) USER MOD Single : A 8 SER OG : rot -116:sc= 0.13 USER MOD Single : A 11 GLN : amide:sc= -0.983 K(o=-0.98,f=-0.011) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -119:sc= 0.596 (180deg=0.453) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.054) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0081 USER MOD Single : A 32 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.049) USER MOD Single : A 34 LYS NZ :NH3+ 129:sc= -0.033 (180deg=-0.241) USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= 0.457 (180deg=-0.0138) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.547 K(o=0.55,f=-4.5!) USER MOD Single : A 48 MET CE :methyl -172:sc= -0.428 (180deg=-0.595) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.796 USER MOD Single : A 65 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.052) USER MOD Single : A 69 SER OG : rot 180:sc= -0.799 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0.679 (180deg=0.664) USER MOD Single : A 77 SER OG : rot -70:sc= 0.706 USER MOD Single : A 81 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.0092) USER MOD Single : A 88 LYS NZ :NH3+ 135:sc= -0.79 (180deg=-2.99!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 100:sc= -0.0568 USER MOD Single : A 99 GLN : amide:sc= 0.281 K(o=0.28,f=-0.24) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc=-0.00827 (180deg=-0.161) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0.815 (180deg=0.779) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= 0.616 K(o=0.62,f=-2.2!) USER MOD Single : A 122 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.39) USER MOD Single : A 123 HIS : no HD1:sc=-0.00148 X(o=-0.0015,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.596 7.188 -4.775 1.00 44.40 N ATOM 2 CA MET A 1 15.390 7.757 -3.647 1.00 64.33 C ATOM 3 C MET A 1 14.763 7.418 -2.275 1.00 32.13 C ATOM 4 O MET A 1 15.327 7.762 -1.229 1.00 75.44 O ATOM 5 CB MET A 1 15.540 9.301 -3.792 1.00 43.12 C ATOM 6 CG MET A 1 14.221 10.104 -3.723 1.00 63.45 C ATOM 7 SD MET A 1 14.484 11.887 -3.564 1.00 22.01 S ATOM 8 CE MET A 1 15.248 11.999 -1.942 1.00 42.31 C ATOM 0 H1 MET A 1 15.131 7.288 -5.661 1.00 44.40 H new ATOM 0 H2 MET A 1 14.410 6.181 -4.595 1.00 44.40 H new ATOM 0 H3 MET A 1 13.693 7.698 -4.856 1.00 44.40 H new ATOM 0 HA MET A 1 16.378 7.299 -3.692 1.00 64.33 H new ATOM 0 HB2 MET A 1 16.206 9.660 -3.007 1.00 43.12 H new ATOM 0 HB3 MET A 1 16.026 9.514 -4.744 1.00 43.12 H new ATOM 0 HG2 MET A 1 13.636 9.908 -4.621 1.00 63.45 H new ATOM 0 HG3 MET A 1 13.632 9.752 -2.876 1.00 63.45 H new ATOM 0 HE1 MET A 1 15.144 13.015 -1.560 1.00 42.31 H new ATOM 0 HE2 MET A 1 14.759 11.303 -1.261 1.00 42.31 H new ATOM 0 HE3 MET A 1 16.306 11.748 -2.020 1.00 42.31 H new ATOM 20 N GLY A 2 13.593 6.752 -2.297 1.00 41.54 N ATOM 21 CA GLY A 2 12.858 6.382 -1.081 1.00 65.31 C ATOM 22 C GLY A 2 11.527 7.122 -0.964 1.00 51.24 C ATOM 23 O GLY A 2 11.039 7.334 0.149 1.00 63.10 O ATOM 0 H GLY A 2 13.134 6.457 -3.159 1.00 41.54 H new ATOM 0 HA2 GLY A 2 12.676 5.307 -1.082 1.00 65.31 H new ATOM 0 HA3 GLY A 2 13.471 6.601 -0.207 1.00 65.31 H new ATOM 27 N LYS A 3 10.947 7.541 -2.120 1.00 75.24 N ATOM 28 CA LYS A 3 9.631 8.212 -2.155 1.00 60.53 C ATOM 29 C LYS A 3 8.520 7.226 -1.755 1.00 31.01 C ATOM 30 O LYS A 3 8.160 6.331 -2.536 1.00 65.14 O ATOM 31 CB LYS A 3 9.324 8.833 -3.556 1.00 13.44 C ATOM 32 CG LYS A 3 7.992 9.636 -3.633 1.00 4.53 C ATOM 33 CD LYS A 3 7.948 10.783 -2.591 1.00 11.24 C ATOM 34 CE LYS A 3 6.616 11.548 -2.568 1.00 41.33 C ATOM 35 NZ LYS A 3 6.632 12.646 -1.556 1.00 73.52 N ATOM 0 H LYS A 3 11.375 7.423 -3.038 1.00 75.24 H new ATOM 0 HA LYS A 3 9.664 9.031 -1.436 1.00 60.53 H new ATOM 0 HB2 LYS A 3 10.146 9.492 -3.835 1.00 13.44 H new ATOM 0 HB3 LYS A 3 9.293 8.032 -4.295 1.00 13.44 H new ATOM 0 HG2 LYS A 3 7.875 10.050 -4.634 1.00 4.53 H new ATOM 0 HG3 LYS A 3 7.152 8.962 -3.467 1.00 4.53 H new ATOM 0 HD2 LYS A 3 8.136 10.369 -1.600 1.00 11.24 H new ATOM 0 HD3 LYS A 3 8.756 11.484 -2.802 1.00 11.24 H new ATOM 0 HE2 LYS A 3 6.418 11.965 -3.555 1.00 41.33 H new ATOM 0 HE3 LYS A 3 5.803 10.858 -2.344 1.00 41.33 H new ATOM 0 HZ1 LYS A 3 5.666 12.811 -1.208 1.00 73.52 H new ATOM 0 HZ2 LYS A 3 7.245 12.376 -0.761 1.00 73.52 H new ATOM 0 HZ3 LYS A 3 6.996 13.516 -1.994 1.00 73.52 H new ATOM 49 N VAL A 4 8.008 7.402 -0.521 1.00 52.31 N ATOM 50 CA VAL A 4 6.935 6.577 0.044 1.00 35.04 C ATOM 51 C VAL A 4 5.589 7.264 -0.230 1.00 72.22 C ATOM 52 O VAL A 4 5.422 8.454 0.072 1.00 61.21 O ATOM 53 CB VAL A 4 7.096 6.364 1.602 1.00 21.11 C ATOM 54 CG1 VAL A 4 6.168 5.228 2.115 1.00 41.44 C ATOM 55 CG2 VAL A 4 8.575 6.132 1.994 1.00 42.44 C ATOM 0 H VAL A 4 8.335 8.130 0.114 1.00 52.31 H new ATOM 0 HA VAL A 4 6.983 5.596 -0.429 1.00 35.04 H new ATOM 0 HB VAL A 4 6.780 7.282 2.097 1.00 21.11 H new ATOM 0 HG11 VAL A 4 6.302 5.106 3.190 1.00 41.44 H new ATOM 0 HG12 VAL A 4 5.129 5.484 1.906 1.00 41.44 H new ATOM 0 HG13 VAL A 4 6.421 4.296 1.610 1.00 41.44 H new ATOM 0 HG21 VAL A 4 8.648 5.989 3.072 1.00 42.44 H new ATOM 0 HG22 VAL A 4 8.952 5.245 1.485 1.00 42.44 H new ATOM 0 HG23 VAL A 4 9.169 6.998 1.702 1.00 42.44 H new ATOM 65 N VAL A 5 4.657 6.521 -0.832 1.00 13.44 N ATOM 66 CA VAL A 5 3.287 6.984 -1.097 1.00 74.04 C ATOM 67 C VAL A 5 2.305 5.933 -0.575 1.00 53.52 C ATOM 68 O VAL A 5 2.348 4.769 -0.989 1.00 44.41 O ATOM 69 CB VAL A 5 3.048 7.253 -2.636 1.00 31.34 C ATOM 70 CG1 VAL A 5 1.571 7.608 -2.950 1.00 55.04 C ATOM 71 CG2 VAL A 5 4.005 8.359 -3.147 1.00 13.03 C ATOM 0 H VAL A 5 4.832 5.569 -1.154 1.00 13.44 H new ATOM 0 HA VAL A 5 3.129 7.931 -0.582 1.00 74.04 H new ATOM 0 HB VAL A 5 3.268 6.326 -3.166 1.00 31.34 H new ATOM 0 HG11 VAL A 5 1.459 7.784 -4.020 1.00 55.04 H new ATOM 0 HG12 VAL A 5 0.926 6.783 -2.648 1.00 55.04 H new ATOM 0 HG13 VAL A 5 1.289 8.508 -2.403 1.00 55.04 H new ATOM 0 HG21 VAL A 5 3.827 8.532 -4.208 1.00 13.03 H new ATOM 0 HG22 VAL A 5 3.824 9.281 -2.594 1.00 13.03 H new ATOM 0 HG23 VAL A 5 5.038 8.044 -2.999 1.00 13.03 H new ATOM 81 N PHE A 6 1.450 6.345 0.364 1.00 20.35 N ATOM 82 CA PHE A 6 0.378 5.502 0.888 1.00 22.45 C ATOM 83 C PHE A 6 -0.919 5.779 0.111 1.00 1.43 C ATOM 84 O PHE A 6 -1.364 6.922 0.002 1.00 53.15 O ATOM 85 CB PHE A 6 0.170 5.754 2.402 1.00 2.53 C ATOM 86 CG PHE A 6 -0.875 4.835 3.028 1.00 11.22 C ATOM 87 CD1 PHE A 6 -0.610 3.475 3.175 1.00 44.22 C ATOM 88 CD2 PHE A 6 -2.122 5.313 3.427 1.00 73.12 C ATOM 89 CE1 PHE A 6 -1.555 2.620 3.692 1.00 72.34 C ATOM 90 CE2 PHE A 6 -3.063 4.457 3.955 1.00 31.53 C ATOM 91 CZ PHE A 6 -2.781 3.109 4.080 1.00 14.23 C ATOM 0 H PHE A 6 1.483 7.275 0.782 1.00 20.35 H new ATOM 0 HA PHE A 6 0.656 4.456 0.759 1.00 22.45 H new ATOM 0 HB2 PHE A 6 1.120 5.619 2.920 1.00 2.53 H new ATOM 0 HB3 PHE A 6 -0.131 6.791 2.553 1.00 2.53 H new ATOM 0 HD1 PHE A 6 0.353 3.086 2.878 1.00 44.22 H new ATOM 0 HD2 PHE A 6 -2.352 6.363 3.321 1.00 73.12 H new ATOM 0 HE1 PHE A 6 -1.335 1.567 3.793 1.00 72.34 H new ATOM 0 HE2 PHE A 6 -4.022 4.839 4.272 1.00 31.53 H new ATOM 0 HZ PHE A 6 -3.525 2.438 4.483 1.00 14.23 H new ATOM 101 N LEU A 7 -1.504 4.714 -0.414 1.00 71.11 N ATOM 102 CA LEU A 7 -2.800 4.729 -1.081 1.00 23.11 C ATOM 103 C LEU A 7 -3.775 3.916 -0.217 1.00 44.31 C ATOM 104 O LEU A 7 -3.402 2.859 0.288 1.00 50.42 O ATOM 105 CB LEU A 7 -2.640 4.103 -2.496 1.00 44.12 C ATOM 106 CG LEU A 7 -3.941 3.912 -3.334 1.00 43.42 C ATOM 107 CD1 LEU A 7 -4.659 5.258 -3.587 1.00 54.13 C ATOM 108 CD2 LEU A 7 -3.633 3.161 -4.654 1.00 2.42 C ATOM 0 H LEU A 7 -1.079 3.787 -0.388 1.00 71.11 H new ATOM 0 HA LEU A 7 -3.184 5.742 -1.200 1.00 23.11 H new ATOM 0 HB2 LEU A 7 -1.956 4.730 -3.069 1.00 44.12 H new ATOM 0 HB3 LEU A 7 -2.162 3.130 -2.384 1.00 44.12 H new ATOM 0 HG LEU A 7 -4.630 3.297 -2.755 1.00 43.42 H new ATOM 0 HD11 LEU A 7 -5.561 5.085 -4.174 1.00 54.13 H new ATOM 0 HD12 LEU A 7 -4.928 5.712 -2.633 1.00 54.13 H new ATOM 0 HD13 LEU A 7 -3.994 5.928 -4.133 1.00 54.13 H new ATOM 0 HD21 LEU A 7 -4.553 3.037 -5.225 1.00 2.42 H new ATOM 0 HD22 LEU A 7 -2.916 3.735 -5.241 1.00 2.42 H new ATOM 0 HD23 LEU A 7 -3.213 2.181 -4.426 1.00 2.42 H new ATOM 120 N SER A 8 -4.997 4.423 -0.010 1.00 32.41 N ATOM 121 CA SER A 8 -6.056 3.677 0.691 1.00 52.02 C ATOM 122 C SER A 8 -7.422 4.107 0.172 1.00 42.24 C ATOM 123 O SER A 8 -7.588 5.233 -0.318 1.00 35.45 O ATOM 124 CB SER A 8 -5.984 3.900 2.218 1.00 25.02 C ATOM 125 OG SER A 8 -7.032 3.232 2.909 1.00 52.14 O ATOM 0 H SER A 8 -5.280 5.353 -0.319 1.00 32.41 H new ATOM 0 HA SER A 8 -5.907 2.615 0.496 1.00 52.02 H new ATOM 0 HB2 SER A 8 -5.023 3.546 2.590 1.00 25.02 H new ATOM 0 HB3 SER A 8 -6.034 4.968 2.430 1.00 25.02 H new ATOM 0 HG SER A 8 -7.613 3.893 3.340 1.00 52.14 H new ATOM 131 N ASP A 9 -8.398 3.205 0.313 1.00 62.45 N ATOM 132 CA ASP A 9 -9.800 3.461 -0.056 1.00 70.14 C ATOM 133 C ASP A 9 -10.552 4.040 1.156 1.00 15.21 C ATOM 134 O ASP A 9 -11.496 4.820 0.998 1.00 12.41 O ATOM 135 CB ASP A 9 -10.458 2.140 -0.536 1.00 13.42 C ATOM 136 CG ASP A 9 -11.944 2.283 -0.928 1.00 61.44 C ATOM 137 OD1 ASP A 9 -12.233 2.791 -2.035 1.00 73.20 O ATOM 138 OD2 ASP A 9 -12.826 1.890 -0.131 1.00 0.13 O ATOM 0 H ASP A 9 -8.240 2.270 0.688 1.00 62.45 H new ATOM 0 HA ASP A 9 -9.844 4.185 -0.869 1.00 70.14 H new ATOM 0 HB2 ASP A 9 -9.902 1.760 -1.393 1.00 13.42 H new ATOM 0 HB3 ASP A 9 -10.372 1.395 0.255 1.00 13.42 H new ATOM 143 N ASP A 10 -10.112 3.639 2.363 1.00 53.43 N ATOM 144 CA ASP A 10 -10.731 4.066 3.631 1.00 52.21 C ATOM 145 C ASP A 10 -10.102 5.388 4.096 1.00 21.52 C ATOM 146 O ASP A 10 -8.878 5.446 4.280 1.00 61.51 O ATOM 147 CB ASP A 10 -10.511 3.012 4.756 1.00 42.45 C ATOM 148 CG ASP A 10 -10.539 1.554 4.284 1.00 30.34 C ATOM 149 OD1 ASP A 10 -11.604 0.905 4.349 1.00 33.05 O ATOM 150 OD2 ASP A 10 -9.482 1.054 3.840 1.00 73.22 O ATOM 0 H ASP A 10 -9.318 3.011 2.486 1.00 53.43 H new ATOM 0 HA ASP A 10 -11.799 4.183 3.449 1.00 52.21 H new ATOM 0 HB2 ASP A 10 -9.551 3.206 5.234 1.00 42.45 H new ATOM 0 HB3 ASP A 10 -11.279 3.148 5.517 1.00 42.45 H new ATOM 155 N GLN A 11 -10.937 6.413 4.319 1.00 73.11 N ATOM 156 CA GLN A 11 -10.500 7.702 4.883 1.00 25.35 C ATOM 157 C GLN A 11 -9.942 7.519 6.312 1.00 72.04 C ATOM 158 O GLN A 11 -8.922 8.125 6.661 1.00 45.14 O ATOM 159 CB GLN A 11 -11.682 8.707 4.881 1.00 62.21 C ATOM 160 CG GLN A 11 -11.346 10.125 5.388 1.00 52.32 C ATOM 161 CD GLN A 11 -10.273 10.827 4.554 1.00 14.43 C ATOM 162 OE1 GLN A 11 -10.576 11.490 3.569 1.00 52.24 O ATOM 163 NE2 GLN A 11 -9.015 10.675 4.938 1.00 1.42 N ATOM 0 H GLN A 11 -11.935 6.373 4.114 1.00 73.11 H new ATOM 0 HA GLN A 11 -9.698 8.099 4.261 1.00 25.35 H new ATOM 0 HB2 GLN A 11 -12.069 8.785 3.865 1.00 62.21 H new ATOM 0 HB3 GLN A 11 -12.484 8.300 5.497 1.00 62.21 H new ATOM 0 HG2 GLN A 11 -12.253 10.729 5.383 1.00 52.32 H new ATOM 0 HG3 GLN A 11 -11.009 10.063 6.423 1.00 52.32 H new ATOM 0 HE21 GLN A 11 -8.798 10.116 5.763 1.00 1.42 H new ATOM 0 HE22 GLN A 11 -8.263 11.117 4.409 1.00 1.42 H new ATOM 172 N GLU A 12 -10.597 6.631 7.097 1.00 73.31 N ATOM 173 CA GLU A 12 -10.233 6.345 8.513 1.00 73.00 C ATOM 174 C GLU A 12 -8.763 5.908 8.615 1.00 54.31 C ATOM 175 O GLU A 12 -8.028 6.308 9.531 1.00 62.54 O ATOM 176 CB GLU A 12 -11.134 5.220 9.127 1.00 41.32 C ATOM 177 CG GLU A 12 -12.633 5.272 8.764 1.00 53.50 C ATOM 178 CD GLU A 12 -13.268 6.668 8.890 1.00 43.31 C ATOM 179 OE1 GLU A 12 -13.584 7.289 7.848 1.00 53.04 O ATOM 180 OE2 GLU A 12 -13.455 7.152 10.024 1.00 1.41 O ATOM 0 H GLU A 12 -11.396 6.089 6.769 1.00 73.31 H new ATOM 0 HA GLU A 12 -10.389 7.267 9.073 1.00 73.00 H new ATOM 0 HB2 GLU A 12 -10.739 4.254 8.812 1.00 41.32 H new ATOM 0 HB3 GLU A 12 -11.043 5.263 10.212 1.00 41.32 H new ATOM 0 HG2 GLU A 12 -12.759 4.920 7.740 1.00 53.50 H new ATOM 0 HG3 GLU A 12 -13.175 4.580 9.408 1.00 53.50 H new ATOM 187 N ILE A 13 -8.360 5.101 7.625 1.00 62.41 N ATOM 188 CA ILE A 13 -7.013 4.547 7.537 1.00 55.34 C ATOM 189 C ILE A 13 -6.005 5.637 7.106 1.00 1.12 C ATOM 190 O ILE A 13 -4.926 5.745 7.694 1.00 12.42 O ATOM 191 CB ILE A 13 -6.979 3.355 6.515 1.00 60.22 C ATOM 192 CG1 ILE A 13 -7.914 2.177 6.953 1.00 21.32 C ATOM 193 CG2 ILE A 13 -5.549 2.861 6.283 1.00 43.12 C ATOM 194 CD1 ILE A 13 -7.566 1.478 8.256 1.00 50.21 C ATOM 0 H ILE A 13 -8.969 4.815 6.858 1.00 62.41 H new ATOM 0 HA ILE A 13 -6.730 4.178 8.523 1.00 55.34 H new ATOM 0 HB ILE A 13 -7.362 3.738 5.569 1.00 60.22 H new ATOM 0 HG12 ILE A 13 -8.931 2.562 7.034 1.00 21.32 H new ATOM 0 HG13 ILE A 13 -7.918 1.432 6.158 1.00 21.32 H new ATOM 0 HG21 ILE A 13 -5.560 2.036 5.571 1.00 43.12 H new ATOM 0 HG22 ILE A 13 -4.943 3.675 5.886 1.00 43.12 H new ATOM 0 HG23 ILE A 13 -5.124 2.520 7.227 1.00 43.12 H new ATOM 0 HD11 ILE A 13 -8.287 0.683 8.447 1.00 50.21 H new ATOM 0 HD12 ILE A 13 -6.566 1.050 8.184 1.00 50.21 H new ATOM 0 HD13 ILE A 13 -7.595 2.198 9.074 1.00 50.21 H new ATOM 206 N ILE A 14 -6.386 6.444 6.081 1.00 10.11 N ATOM 207 CA ILE A 14 -5.532 7.523 5.509 1.00 62.13 C ATOM 208 C ILE A 14 -5.056 8.483 6.619 1.00 0.03 C ATOM 209 O ILE A 14 -3.871 8.818 6.697 1.00 44.12 O ATOM 210 CB ILE A 14 -6.308 8.336 4.382 1.00 71.15 C ATOM 211 CG1 ILE A 14 -6.631 7.424 3.153 1.00 31.54 C ATOM 212 CG2 ILE A 14 -5.534 9.605 3.932 1.00 1.42 C ATOM 213 CD1 ILE A 14 -7.467 8.079 2.056 1.00 41.51 C ATOM 0 H ILE A 14 -7.296 6.366 5.626 1.00 10.11 H new ATOM 0 HA ILE A 14 -4.663 7.050 5.052 1.00 62.13 H new ATOM 0 HB ILE A 14 -7.247 8.669 4.825 1.00 71.15 H new ATOM 0 HG12 ILE A 14 -5.692 7.084 2.717 1.00 31.54 H new ATOM 0 HG13 ILE A 14 -7.157 6.538 3.508 1.00 31.54 H new ATOM 0 HG21 ILE A 14 -6.104 10.125 3.162 1.00 1.42 H new ATOM 0 HG22 ILE A 14 -5.391 10.266 4.787 1.00 1.42 H new ATOM 0 HG23 ILE A 14 -4.563 9.316 3.531 1.00 1.42 H new ATOM 0 HD11 ILE A 14 -7.635 7.364 1.251 1.00 41.51 H new ATOM 0 HD12 ILE A 14 -8.426 8.393 2.468 1.00 41.51 H new ATOM 0 HD13 ILE A 14 -6.938 8.948 1.665 1.00 41.51 H new ATOM 225 N GLU A 15 -6.000 8.854 7.493 1.00 42.34 N ATOM 226 CA GLU A 15 -5.770 9.783 8.616 1.00 54.21 C ATOM 227 C GLU A 15 -4.766 9.216 9.639 1.00 42.05 C ATOM 228 O GLU A 15 -3.850 9.919 10.077 1.00 40.44 O ATOM 229 CB GLU A 15 -7.123 10.078 9.309 1.00 65.45 C ATOM 230 CG GLU A 15 -8.169 10.741 8.390 1.00 10.33 C ATOM 231 CD GLU A 15 -9.561 10.828 9.031 1.00 0.54 C ATOM 232 OE1 GLU A 15 -9.778 11.700 9.899 1.00 31.13 O ATOM 233 OE2 GLU A 15 -10.436 10.009 8.688 1.00 55.42 O ATOM 0 H GLU A 15 -6.960 8.514 7.443 1.00 42.34 H new ATOM 0 HA GLU A 15 -5.339 10.702 8.217 1.00 54.21 H new ATOM 0 HB2 GLU A 15 -7.533 9.144 9.694 1.00 65.45 H new ATOM 0 HB3 GLU A 15 -6.946 10.726 10.167 1.00 65.45 H new ATOM 0 HG2 GLU A 15 -7.832 11.744 8.129 1.00 10.33 H new ATOM 0 HG3 GLU A 15 -8.238 10.176 7.460 1.00 10.33 H new ATOM 240 N GLU A 16 -4.960 7.944 10.007 1.00 51.54 N ATOM 241 CA GLU A 16 -4.149 7.258 11.033 1.00 31.41 C ATOM 242 C GLU A 16 -2.720 6.955 10.554 1.00 33.24 C ATOM 243 O GLU A 16 -1.774 7.033 11.343 1.00 4.52 O ATOM 244 CB GLU A 16 -4.874 5.968 11.475 1.00 32.21 C ATOM 245 CG GLU A 16 -6.126 6.222 12.341 1.00 51.22 C ATOM 246 CD GLU A 16 -5.780 6.722 13.760 1.00 72.33 C ATOM 247 OE1 GLU A 16 -5.368 5.890 14.603 1.00 52.21 O ATOM 248 OE2 GLU A 16 -5.900 7.937 14.035 1.00 14.53 O ATOM 0 H GLU A 16 -5.687 7.354 9.602 1.00 51.54 H new ATOM 0 HA GLU A 16 -4.044 7.930 11.885 1.00 31.41 H new ATOM 0 HB2 GLU A 16 -5.165 5.404 10.589 1.00 32.21 H new ATOM 0 HB3 GLU A 16 -4.177 5.344 12.035 1.00 32.21 H new ATOM 0 HG2 GLU A 16 -6.761 6.957 11.847 1.00 51.22 H new ATOM 0 HG3 GLU A 16 -6.703 5.301 12.416 1.00 51.22 H new ATOM 255 N VAL A 17 -2.564 6.603 9.270 1.00 34.24 N ATOM 256 CA VAL A 17 -1.239 6.368 8.666 1.00 21.23 C ATOM 257 C VAL A 17 -0.498 7.702 8.497 1.00 71.32 C ATOM 258 O VAL A 17 0.701 7.777 8.747 1.00 64.15 O ATOM 259 CB VAL A 17 -1.359 5.609 7.292 1.00 44.13 C ATOM 260 CG1 VAL A 17 0.020 5.423 6.611 1.00 24.32 C ATOM 261 CG2 VAL A 17 -2.076 4.246 7.475 1.00 10.43 C ATOM 0 H VAL A 17 -3.343 6.473 8.624 1.00 34.24 H new ATOM 0 HA VAL A 17 -0.664 5.729 9.336 1.00 21.23 H new ATOM 0 HB VAL A 17 -1.964 6.229 6.631 1.00 44.13 H new ATOM 0 HG11 VAL A 17 -0.109 4.895 5.666 1.00 24.32 H new ATOM 0 HG12 VAL A 17 0.468 6.399 6.423 1.00 24.32 H new ATOM 0 HG13 VAL A 17 0.673 4.844 7.264 1.00 24.32 H new ATOM 0 HG21 VAL A 17 -2.147 3.740 6.512 1.00 10.43 H new ATOM 0 HG22 VAL A 17 -1.508 3.627 8.169 1.00 10.43 H new ATOM 0 HG23 VAL A 17 -3.077 4.412 7.872 1.00 10.43 H new ATOM 271 N SER A 18 -1.236 8.751 8.107 1.00 4.31 N ATOM 272 CA SER A 18 -0.693 10.119 7.971 1.00 3.51 C ATOM 273 C SER A 18 -0.253 10.667 9.346 1.00 1.11 C ATOM 274 O SER A 18 0.756 11.378 9.447 1.00 14.25 O ATOM 275 CB SER A 18 -1.757 11.038 7.333 1.00 53.23 C ATOM 276 OG SER A 18 -1.258 12.341 7.059 1.00 71.14 O ATOM 0 H SER A 18 -2.227 8.680 7.876 1.00 4.31 H new ATOM 0 HA SER A 18 0.184 10.091 7.324 1.00 3.51 H new ATOM 0 HB2 SER A 18 -2.114 10.587 6.407 1.00 53.23 H new ATOM 0 HB3 SER A 18 -2.615 11.114 8.001 1.00 53.23 H new ATOM 0 HG SER A 18 -1.967 12.884 6.655 1.00 71.14 H new ATOM 282 N LYS A 19 -1.014 10.295 10.397 1.00 0.44 N ATOM 283 CA LYS A 19 -0.713 10.657 11.792 1.00 22.51 C ATOM 284 C LYS A 19 0.609 9.993 12.229 1.00 62.54 C ATOM 285 O LYS A 19 1.563 10.689 12.564 1.00 21.34 O ATOM 286 CB LYS A 19 -1.891 10.236 12.736 1.00 33.12 C ATOM 287 CG LYS A 19 -1.639 10.429 14.258 1.00 43.30 C ATOM 288 CD LYS A 19 -1.361 11.889 14.670 1.00 11.24 C ATOM 289 CE LYS A 19 -2.576 12.804 14.481 1.00 52.24 C ATOM 290 NZ LYS A 19 -2.231 14.229 14.741 1.00 0.00 N ATOM 0 H LYS A 19 -1.859 9.732 10.297 1.00 0.44 H new ATOM 0 HA LYS A 19 -0.600 11.739 11.863 1.00 22.51 H new ATOM 0 HB2 LYS A 19 -2.777 10.807 12.458 1.00 33.12 H new ATOM 0 HB3 LYS A 19 -2.119 9.186 12.555 1.00 33.12 H new ATOM 0 HG2 LYS A 19 -2.508 10.067 14.808 1.00 43.30 H new ATOM 0 HG3 LYS A 19 -0.792 9.811 14.556 1.00 43.30 H new ATOM 0 HD2 LYS A 19 -1.053 11.914 15.715 1.00 11.24 H new ATOM 0 HD3 LYS A 19 -0.527 12.274 14.083 1.00 11.24 H new ATOM 0 HE2 LYS A 19 -2.957 12.700 13.465 1.00 52.24 H new ATOM 0 HE3 LYS A 19 -3.375 12.493 15.154 1.00 52.24 H new ATOM 0 HZ1 LYS A 19 -3.075 14.821 14.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.891 14.331 15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.486 14.532 14.082 1.00 0.00 H new ATOM 304 N LYS A 20 0.647 8.645 12.149 1.00 3.04 N ATOM 305 CA LYS A 20 1.802 7.811 12.566 1.00 72.24 C ATOM 306 C LYS A 20 3.084 8.222 11.829 1.00 61.24 C ATOM 307 O LYS A 20 4.156 8.369 12.438 1.00 40.14 O ATOM 308 CB LYS A 20 1.482 6.310 12.291 1.00 60.44 C ATOM 309 CG LYS A 20 2.540 5.295 12.771 1.00 32.33 C ATOM 310 CD LYS A 20 2.732 5.346 14.298 1.00 54.11 C ATOM 311 CE LYS A 20 3.787 4.360 14.788 1.00 3.12 C ATOM 312 NZ LYS A 20 3.398 2.953 14.524 1.00 63.10 N ATOM 0 H LYS A 20 -0.133 8.095 11.788 1.00 3.04 H new ATOM 0 HA LYS A 20 1.970 7.962 13.632 1.00 72.24 H new ATOM 0 HB2 LYS A 20 0.532 6.068 12.768 1.00 60.44 H new ATOM 0 HB3 LYS A 20 1.342 6.179 11.218 1.00 60.44 H new ATOM 0 HG2 LYS A 20 2.239 4.290 12.476 1.00 32.33 H new ATOM 0 HG3 LYS A 20 3.490 5.501 12.278 1.00 32.33 H new ATOM 0 HD2 LYS A 20 3.019 6.356 14.591 1.00 54.11 H new ATOM 0 HD3 LYS A 20 1.782 5.130 14.788 1.00 54.11 H new ATOM 0 HE2 LYS A 20 4.737 4.572 14.297 1.00 3.12 H new ATOM 0 HE3 LYS A 20 3.943 4.498 15.858 1.00 3.12 H new ATOM 0 HZ1 LYS A 20 3.324 2.439 15.425 1.00 63.10 H new ATOM 0 HZ2 LYS A 20 2.479 2.932 14.037 1.00 63.10 H new ATOM 0 HZ3 LYS A 20 4.118 2.500 13.925 1.00 63.10 H new ATOM 326 N ALA A 21 2.935 8.438 10.516 1.00 73.41 N ATOM 327 CA ALA A 21 4.026 8.879 9.644 1.00 62.04 C ATOM 328 C ALA A 21 4.617 10.210 10.126 1.00 13.24 C ATOM 329 O ALA A 21 5.811 10.297 10.391 1.00 54.23 O ATOM 330 CB ALA A 21 3.537 9.012 8.201 1.00 52.33 C ATOM 0 H ALA A 21 2.048 8.310 10.028 1.00 73.41 H new ATOM 0 HA ALA A 21 4.811 8.124 9.683 1.00 62.04 H new ATOM 0 HB1 ALA A 21 4.360 9.341 7.567 1.00 52.33 H new ATOM 0 HB2 ALA A 21 3.171 8.047 7.850 1.00 52.33 H new ATOM 0 HB3 ALA A 21 2.730 9.744 8.156 1.00 52.33 H new ATOM 336 N GLU A 22 3.746 11.215 10.298 1.00 33.02 N ATOM 337 CA GLU A 22 4.152 12.585 10.656 1.00 54.15 C ATOM 338 C GLU A 22 4.782 12.642 12.063 1.00 71.43 C ATOM 339 O GLU A 22 5.731 13.403 12.285 1.00 3.34 O ATOM 340 CB GLU A 22 2.934 13.539 10.542 1.00 64.21 C ATOM 341 CG GLU A 22 3.272 15.030 10.751 1.00 64.25 C ATOM 342 CD GLU A 22 2.091 15.978 10.480 1.00 33.33 C ATOM 343 OE1 GLU A 22 1.949 16.474 9.339 1.00 15.20 O ATOM 344 OE2 GLU A 22 1.281 16.208 11.394 1.00 24.20 O ATOM 0 H GLU A 22 2.738 11.102 10.193 1.00 33.02 H new ATOM 0 HA GLU A 22 4.920 12.912 9.955 1.00 54.15 H new ATOM 0 HB2 GLU A 22 2.482 13.416 9.558 1.00 64.21 H new ATOM 0 HB3 GLU A 22 2.185 13.242 11.276 1.00 64.21 H new ATOM 0 HG2 GLU A 22 3.615 15.175 11.775 1.00 64.25 H new ATOM 0 HG3 GLU A 22 4.101 15.300 10.096 1.00 64.25 H new ATOM 351 N GLU A 23 4.268 11.820 12.992 1.00 1.42 N ATOM 352 CA GLU A 23 4.858 11.651 14.335 1.00 71.20 C ATOM 353 C GLU A 23 6.317 11.144 14.247 1.00 31.14 C ATOM 354 O GLU A 23 7.204 11.647 14.947 1.00 64.11 O ATOM 355 CB GLU A 23 4.013 10.664 15.188 1.00 73.13 C ATOM 356 CG GLU A 23 2.574 11.126 15.516 1.00 73.40 C ATOM 357 CD GLU A 23 2.501 12.381 16.412 1.00 34.13 C ATOM 358 OE1 GLU A 23 2.696 12.255 17.640 1.00 73.20 O ATOM 359 OE2 GLU A 23 2.237 13.487 15.901 1.00 22.25 O ATOM 0 H GLU A 23 3.434 11.254 12.836 1.00 1.42 H new ATOM 0 HA GLU A 23 4.858 12.629 14.816 1.00 71.20 H new ATOM 0 HB2 GLU A 23 3.958 9.712 14.661 1.00 73.13 H new ATOM 0 HB3 GLU A 23 4.539 10.480 16.125 1.00 73.13 H new ATOM 0 HG2 GLU A 23 2.048 11.328 14.583 1.00 73.40 H new ATOM 0 HG3 GLU A 23 2.046 10.310 16.009 1.00 73.40 H new ATOM 366 N GLU A 24 6.553 10.157 13.362 1.00 73.05 N ATOM 367 CA GLU A 24 7.884 9.523 13.180 1.00 61.24 C ATOM 368 C GLU A 24 8.744 10.219 12.085 1.00 75.21 C ATOM 369 O GLU A 24 9.859 9.760 11.790 1.00 0.24 O ATOM 370 CB GLU A 24 7.688 8.023 12.845 1.00 24.22 C ATOM 371 CG GLU A 24 6.874 7.215 13.883 1.00 72.23 C ATOM 372 CD GLU A 24 7.513 7.191 15.287 1.00 3.11 C ATOM 373 OE1 GLU A 24 7.130 8.011 16.155 1.00 73.51 O ATOM 374 OE2 GLU A 24 8.397 6.342 15.529 1.00 33.23 O ATOM 0 H GLU A 24 5.832 9.773 12.751 1.00 73.05 H new ATOM 0 HA GLU A 24 8.435 9.633 14.114 1.00 61.24 H new ATOM 0 HB2 GLU A 24 7.191 7.946 11.878 1.00 24.22 H new ATOM 0 HB3 GLU A 24 8.669 7.560 12.737 1.00 24.22 H new ATOM 0 HG2 GLU A 24 5.872 7.639 13.956 1.00 72.23 H new ATOM 0 HG3 GLU A 24 6.762 6.191 13.527 1.00 72.23 H new ATOM 381 N GLY A 25 8.212 11.306 11.479 1.00 41.32 N ATOM 382 CA GLY A 25 8.960 12.120 10.502 1.00 65.13 C ATOM 383 C GLY A 25 9.118 11.453 9.134 1.00 64.23 C ATOM 384 O GLY A 25 10.110 11.683 8.437 1.00 42.03 O ATOM 0 H GLY A 25 7.263 11.638 11.653 1.00 41.32 H new ATOM 0 HA2 GLY A 25 8.451 13.075 10.373 1.00 65.13 H new ATOM 0 HA3 GLY A 25 9.949 12.338 10.906 1.00 65.13 H new ATOM 388 N TYR A 26 8.147 10.602 8.773 1.00 23.22 N ATOM 389 CA TYR A 26 8.102 9.914 7.473 1.00 35.25 C ATOM 390 C TYR A 26 7.321 10.747 6.435 1.00 51.13 C ATOM 391 O TYR A 26 6.103 10.943 6.582 1.00 52.40 O ATOM 392 CB TYR A 26 7.421 8.528 7.614 1.00 74.54 C ATOM 393 CG TYR A 26 8.130 7.514 8.522 1.00 50.25 C ATOM 394 CD1 TYR A 26 9.503 7.310 8.434 1.00 61.03 C ATOM 395 CD2 TYR A 26 7.410 6.719 9.424 1.00 71.03 C ATOM 396 CE1 TYR A 26 10.137 6.367 9.216 1.00 13.23 C ATOM 397 CE2 TYR A 26 8.043 5.777 10.211 1.00 63.54 C ATOM 398 CZ TYR A 26 9.405 5.602 10.097 1.00 64.12 C ATOM 399 OH TYR A 26 10.040 4.665 10.877 1.00 61.42 O ATOM 0 H TYR A 26 7.362 10.369 9.381 1.00 23.22 H new ATOM 0 HA TYR A 26 9.130 9.786 7.134 1.00 35.25 H new ATOM 0 HB2 TYR A 26 6.411 8.680 7.993 1.00 74.54 H new ATOM 0 HB3 TYR A 26 7.326 8.090 6.620 1.00 74.54 H new ATOM 0 HD1 TYR A 26 10.083 7.901 7.741 1.00 61.03 H new ATOM 0 HD2 TYR A 26 6.340 6.845 9.505 1.00 71.03 H new ATOM 0 HE1 TYR A 26 11.205 6.229 9.138 1.00 13.23 H new ATOM 0 HE2 TYR A 26 7.475 5.182 10.911 1.00 63.54 H new ATOM 0 HH TYR A 26 9.443 4.384 11.602 1.00 61.42 H new ATOM 409 N ASP A 27 8.022 11.224 5.391 1.00 22.44 N ATOM 410 CA ASP A 27 7.386 11.886 4.239 1.00 5.21 C ATOM 411 C ASP A 27 6.632 10.826 3.412 1.00 33.03 C ATOM 412 O ASP A 27 7.242 10.087 2.630 1.00 22.30 O ATOM 413 CB ASP A 27 8.445 12.626 3.366 1.00 44.23 C ATOM 414 CG ASP A 27 7.842 13.341 2.128 1.00 63.12 C ATOM 415 OD1 ASP A 27 8.031 12.868 0.981 1.00 2.32 O ATOM 416 OD2 ASP A 27 7.166 14.379 2.297 1.00 30.30 O ATOM 0 H ASP A 27 9.038 11.162 5.322 1.00 22.44 H new ATOM 0 HA ASP A 27 6.681 12.637 4.595 1.00 5.21 H new ATOM 0 HB2 ASP A 27 8.962 13.361 3.983 1.00 44.23 H new ATOM 0 HB3 ASP A 27 9.193 11.908 3.031 1.00 44.23 H new ATOM 421 N ILE A 28 5.319 10.692 3.669 1.00 20.21 N ATOM 422 CA ILE A 28 4.462 9.719 2.973 1.00 24.52 C ATOM 423 C ILE A 28 3.264 10.452 2.353 1.00 1.22 C ATOM 424 O ILE A 28 2.451 11.039 3.078 1.00 23.24 O ATOM 425 CB ILE A 28 3.946 8.585 3.943 1.00 1.02 C ATOM 426 CG1 ILE A 28 5.140 7.873 4.656 1.00 41.41 C ATOM 427 CG2 ILE A 28 3.075 7.565 3.177 1.00 13.41 C ATOM 428 CD1 ILE A 28 4.748 6.730 5.574 1.00 24.14 C ATOM 0 H ILE A 28 4.825 11.253 4.362 1.00 20.21 H new ATOM 0 HA ILE A 28 5.059 9.241 2.196 1.00 24.52 H new ATOM 0 HB ILE A 28 3.328 9.052 4.710 1.00 1.02 H new ATOM 0 HG12 ILE A 28 5.822 7.492 3.896 1.00 41.41 H new ATOM 0 HG13 ILE A 28 5.691 8.613 5.236 1.00 41.41 H new ATOM 0 HG21 ILE A 28 2.730 6.792 3.864 1.00 13.41 H new ATOM 0 HG22 ILE A 28 2.215 8.075 2.743 1.00 13.41 H new ATOM 0 HG23 ILE A 28 3.665 7.107 2.383 1.00 13.41 H new ATOM 0 HD11 ILE A 28 5.644 6.300 6.022 1.00 24.14 H new ATOM 0 HD12 ILE A 28 4.092 7.104 6.361 1.00 24.14 H new ATOM 0 HD13 ILE A 28 4.226 5.965 5.000 1.00 24.14 H new ATOM 440 N GLN A 29 3.170 10.422 1.014 1.00 74.24 N ATOM 441 CA GLN A 29 2.053 11.034 0.289 1.00 11.14 C ATOM 442 C GLN A 29 0.825 10.129 0.399 1.00 30.31 C ATOM 443 O GLN A 29 0.802 9.035 -0.154 1.00 71.32 O ATOM 444 CB GLN A 29 2.436 11.286 -1.192 1.00 22.55 C ATOM 445 CG GLN A 29 1.332 11.919 -2.071 1.00 45.15 C ATOM 446 CD GLN A 29 0.757 13.220 -1.496 1.00 53.51 C ATOM 447 OE1 GLN A 29 1.290 14.305 -1.725 1.00 10.04 O ATOM 448 NE2 GLN A 29 -0.347 13.126 -0.773 1.00 10.43 N ATOM 0 H GLN A 29 3.861 9.976 0.411 1.00 74.24 H new ATOM 0 HA GLN A 29 1.817 12.001 0.733 1.00 11.14 H new ATOM 0 HB2 GLN A 29 3.311 11.935 -1.217 1.00 22.55 H new ATOM 0 HB3 GLN A 29 2.731 10.336 -1.639 1.00 22.55 H new ATOM 0 HG2 GLN A 29 1.739 12.119 -3.062 1.00 45.15 H new ATOM 0 HG3 GLN A 29 0.523 11.199 -2.198 1.00 45.15 H new ATOM 0 HE21 GLN A 29 -0.767 12.213 -0.599 1.00 10.43 H new ATOM 0 HE22 GLN A 29 -0.778 13.967 -0.389 1.00 10.43 H new ATOM 457 N THR A 30 -0.182 10.604 1.120 1.00 51.44 N ATOM 458 CA THR A 30 -1.419 9.870 1.358 1.00 1.43 C ATOM 459 C THR A 30 -2.489 10.324 0.342 1.00 64.41 C ATOM 460 O THR A 30 -2.702 11.529 0.155 1.00 11.24 O ATOM 461 CB THR A 30 -1.887 10.104 2.830 1.00 35.21 C ATOM 462 OG1 THR A 30 -1.765 11.497 3.163 1.00 14.24 O ATOM 463 CG2 THR A 30 -1.071 9.277 3.847 1.00 42.45 C ATOM 0 H THR A 30 -0.163 11.523 1.562 1.00 51.44 H new ATOM 0 HA THR A 30 -1.256 8.801 1.222 1.00 1.43 H new ATOM 0 HB THR A 30 -2.926 9.781 2.889 1.00 35.21 H new ATOM 0 HG1 THR A 30 -2.061 11.640 4.086 1.00 14.24 H new ATOM 0 HG21 THR A 30 -1.436 9.476 4.854 1.00 42.45 H new ATOM 0 HG22 THR A 30 -1.181 8.216 3.624 1.00 42.45 H new ATOM 0 HG23 THR A 30 -0.019 9.555 3.781 1.00 42.45 H new ATOM 471 N SER A 31 -3.137 9.346 -0.319 1.00 12.53 N ATOM 472 CA SER A 31 -4.081 9.599 -1.424 1.00 32.40 C ATOM 473 C SER A 31 -5.201 8.537 -1.440 1.00 32.21 C ATOM 474 O SER A 31 -5.067 7.459 -0.844 1.00 1.13 O ATOM 475 CB SER A 31 -3.317 9.613 -2.777 1.00 73.31 C ATOM 476 OG SER A 31 -4.185 9.871 -3.873 1.00 33.13 O ATOM 0 H SER A 31 -3.020 8.356 -0.101 1.00 12.53 H new ATOM 0 HA SER A 31 -4.546 10.573 -1.273 1.00 32.40 H new ATOM 0 HB2 SER A 31 -2.536 10.373 -2.745 1.00 73.31 H new ATOM 0 HB3 SER A 31 -2.822 8.653 -2.924 1.00 73.31 H new ATOM 0 HG SER A 31 -3.668 9.874 -4.706 1.00 33.13 H new ATOM 482 N ASN A 32 -6.306 8.881 -2.123 1.00 13.44 N ATOM 483 CA ASN A 32 -7.476 8.010 -2.314 1.00 53.01 C ATOM 484 C ASN A 32 -7.646 7.695 -3.822 1.00 31.44 C ATOM 485 O ASN A 32 -8.211 6.651 -4.183 1.00 72.30 O ATOM 486 CB ASN A 32 -8.741 8.721 -1.742 1.00 54.12 C ATOM 487 CG ASN A 32 -10.038 7.890 -1.794 1.00 34.34 C ATOM 488 OD1 ASN A 32 -11.117 8.432 -2.007 1.00 72.01 O ATOM 489 ND2 ASN A 32 -9.956 6.584 -1.560 1.00 64.15 N ATOM 0 H ASN A 32 -6.412 9.793 -2.567 1.00 13.44 H new ATOM 0 HA ASN A 32 -7.336 7.068 -1.783 1.00 53.01 H new ATOM 0 HB2 ASN A 32 -8.546 8.997 -0.706 1.00 54.12 H new ATOM 0 HB3 ASN A 32 -8.899 9.647 -2.294 1.00 54.12 H new ATOM 0 HD21 ASN A 32 -10.801 6.013 -1.555 1.00 64.15 H new ATOM 0 HD22 ASN A 32 -9.048 6.153 -1.385 1.00 64.15 H new ATOM 496 N ASP A 33 -7.128 8.596 -4.701 1.00 14.11 N ATOM 497 CA ASP A 33 -7.287 8.458 -6.171 1.00 10.12 C ATOM 498 C ASP A 33 -6.242 7.464 -6.729 1.00 54.13 C ATOM 499 O ASP A 33 -5.116 7.845 -7.074 1.00 50.53 O ATOM 500 CB ASP A 33 -7.210 9.838 -6.903 1.00 72.21 C ATOM 501 CG ASP A 33 -7.760 9.780 -8.351 1.00 72.31 C ATOM 502 OD1 ASP A 33 -6.975 9.769 -9.322 1.00 41.11 O ATOM 503 OD2 ASP A 33 -8.998 9.727 -8.521 1.00 22.34 O ATOM 0 H ASP A 33 -6.600 9.421 -4.416 1.00 14.11 H new ATOM 0 HA ASP A 33 -8.283 8.060 -6.364 1.00 10.12 H new ATOM 0 HB2 ASP A 33 -7.773 10.578 -6.334 1.00 72.21 H new ATOM 0 HB3 ASP A 33 -6.174 10.175 -6.926 1.00 72.21 H new ATOM 508 N LYS A 34 -6.646 6.180 -6.785 1.00 35.34 N ATOM 509 CA LYS A 34 -5.777 5.046 -7.174 1.00 23.02 C ATOM 510 C LYS A 34 -5.293 5.148 -8.640 1.00 52.02 C ATOM 511 O LYS A 34 -4.162 4.759 -8.946 1.00 11.44 O ATOM 512 CB LYS A 34 -6.533 3.707 -6.925 1.00 50.44 C ATOM 513 CG LYS A 34 -7.783 3.504 -7.810 1.00 54.42 C ATOM 514 CD LYS A 34 -8.629 2.275 -7.405 1.00 14.04 C ATOM 515 CE LYS A 34 -9.873 2.096 -8.291 1.00 43.54 C ATOM 516 NZ LYS A 34 -10.674 0.894 -7.914 1.00 64.02 N ATOM 0 H LYS A 34 -7.599 5.895 -6.558 1.00 35.34 H new ATOM 0 HA LYS A 34 -4.881 5.079 -6.554 1.00 23.02 H new ATOM 0 HB2 LYS A 34 -5.845 2.879 -7.094 1.00 50.44 H new ATOM 0 HB3 LYS A 34 -6.833 3.663 -5.878 1.00 50.44 H new ATOM 0 HG2 LYS A 34 -8.405 4.397 -7.757 1.00 54.42 H new ATOM 0 HG3 LYS A 34 -7.470 3.394 -8.848 1.00 54.42 H new ATOM 0 HD2 LYS A 34 -8.012 1.378 -7.465 1.00 14.04 H new ATOM 0 HD3 LYS A 34 -8.940 2.379 -6.365 1.00 14.04 H new ATOM 0 HE2 LYS A 34 -10.500 2.985 -8.216 1.00 43.54 H new ATOM 0 HE3 LYS A 34 -9.564 2.011 -9.333 1.00 43.54 H new ATOM 0 HZ1 LYS A 34 -11.670 1.166 -7.790 1.00 64.02 H new ATOM 0 HZ2 LYS A 34 -10.601 0.179 -8.665 1.00 64.02 H new ATOM 0 HZ3 LYS A 34 -10.309 0.499 -7.024 1.00 64.02 H new ATOM 530 N LYS A 35 -6.149 5.709 -9.524 1.00 51.11 N ATOM 531 CA LYS A 35 -5.862 5.811 -10.976 1.00 15.42 C ATOM 532 C LYS A 35 -4.771 6.868 -11.263 1.00 3.32 C ATOM 533 O LYS A 35 -4.008 6.724 -12.238 1.00 71.40 O ATOM 534 CB LYS A 35 -7.154 6.089 -11.795 1.00 43.13 C ATOM 535 CG LYS A 35 -7.976 7.305 -11.332 1.00 74.13 C ATOM 536 CD LYS A 35 -9.201 7.588 -12.233 1.00 74.14 C ATOM 537 CE LYS A 35 -10.068 8.733 -11.694 1.00 62.43 C ATOM 538 NZ LYS A 35 -9.273 9.971 -11.477 1.00 33.31 N ATOM 0 H LYS A 35 -7.051 6.101 -9.256 1.00 51.11 H new ATOM 0 HA LYS A 35 -5.474 4.845 -11.300 1.00 15.42 H new ATOM 0 HB2 LYS A 35 -6.878 6.234 -12.840 1.00 43.13 H new ATOM 0 HB3 LYS A 35 -7.789 5.204 -11.753 1.00 43.13 H new ATOM 0 HG2 LYS A 35 -8.315 7.139 -10.310 1.00 74.13 H new ATOM 0 HG3 LYS A 35 -7.334 8.185 -11.315 1.00 74.13 H new ATOM 0 HD2 LYS A 35 -8.860 7.835 -13.238 1.00 74.14 H new ATOM 0 HD3 LYS A 35 -9.806 6.685 -12.315 1.00 74.14 H new ATOM 0 HE2 LYS A 35 -10.877 8.938 -12.396 1.00 62.43 H new ATOM 0 HE3 LYS A 35 -10.530 8.428 -10.755 1.00 62.43 H new ATOM 0 HZ1 LYS A 35 -9.809 10.793 -11.823 1.00 33.31 H new ATOM 0 HZ2 LYS A 35 -9.080 10.086 -10.462 1.00 33.31 H new ATOM 0 HZ3 LYS A 35 -8.374 9.901 -11.995 1.00 33.31 H new ATOM 552 N GLU A 36 -4.698 7.914 -10.405 1.00 75.44 N ATOM 553 CA GLU A 36 -3.567 8.878 -10.408 1.00 41.15 C ATOM 554 C GLU A 36 -2.270 8.136 -10.084 1.00 31.40 C ATOM 555 O GLU A 36 -1.270 8.264 -10.788 1.00 71.44 O ATOM 556 CB GLU A 36 -3.754 10.004 -9.345 1.00 71.15 C ATOM 557 CG GLU A 36 -2.594 11.030 -9.293 1.00 14.50 C ATOM 558 CD GLU A 36 -2.614 11.932 -8.049 1.00 1.44 C ATOM 559 OE1 GLU A 36 -3.436 12.867 -7.995 1.00 71.04 O ATOM 560 OE2 GLU A 36 -1.797 11.718 -7.119 1.00 72.43 O ATOM 0 H GLU A 36 -5.409 8.113 -9.701 1.00 75.44 H new ATOM 0 HA GLU A 36 -3.531 9.333 -11.398 1.00 41.15 H new ATOM 0 HB2 GLU A 36 -4.683 10.534 -9.554 1.00 71.15 H new ATOM 0 HB3 GLU A 36 -3.862 9.545 -8.362 1.00 71.15 H new ATOM 0 HG2 GLU A 36 -1.646 10.493 -9.325 1.00 14.50 H new ATOM 0 HG3 GLU A 36 -2.636 11.656 -10.184 1.00 14.50 H new ATOM 567 N ILE A 37 -2.333 7.342 -9.009 1.00 61.41 N ATOM 568 CA ILE A 37 -1.173 6.646 -8.440 1.00 74.55 C ATOM 569 C ILE A 37 -0.547 5.658 -9.456 1.00 73.12 C ATOM 570 O ILE A 37 0.677 5.586 -9.568 1.00 74.55 O ATOM 571 CB ILE A 37 -1.572 5.915 -7.103 1.00 32.03 C ATOM 572 CG1 ILE A 37 -2.146 6.930 -6.055 1.00 4.00 C ATOM 573 CG2 ILE A 37 -0.396 5.125 -6.512 1.00 30.21 C ATOM 574 CD1 ILE A 37 -1.203 8.060 -5.637 1.00 42.25 C ATOM 0 H ILE A 37 -3.201 7.163 -8.504 1.00 61.41 H new ATOM 0 HA ILE A 37 -0.413 7.392 -8.209 1.00 74.55 H new ATOM 0 HB ILE A 37 -2.356 5.199 -7.349 1.00 32.03 H new ATOM 0 HG12 ILE A 37 -3.054 7.373 -6.465 1.00 4.00 H new ATOM 0 HG13 ILE A 37 -2.437 6.376 -5.162 1.00 4.00 H new ATOM 0 HG21 ILE A 37 -0.713 4.636 -5.591 1.00 30.21 H new ATOM 0 HG22 ILE A 37 -0.067 4.372 -7.228 1.00 30.21 H new ATOM 0 HG23 ILE A 37 0.428 5.805 -6.297 1.00 30.21 H new ATOM 0 HD11 ILE A 37 -1.703 8.701 -4.910 1.00 42.25 H new ATOM 0 HD12 ILE A 37 -0.304 7.637 -5.190 1.00 42.25 H new ATOM 0 HD13 ILE A 37 -0.930 8.649 -6.513 1.00 42.25 H new ATOM 586 N ILE A 38 -1.409 4.949 -10.216 1.00 42.42 N ATOM 587 CA ILE A 38 -1.000 4.044 -11.323 1.00 62.41 C ATOM 588 C ILE A 38 -0.179 4.820 -12.388 1.00 52.01 C ATOM 589 O ILE A 38 0.895 4.368 -12.833 1.00 32.01 O ATOM 590 CB ILE A 38 -2.283 3.387 -11.986 1.00 31.41 C ATOM 591 CG1 ILE A 38 -3.032 2.480 -10.948 1.00 54.22 C ATOM 592 CG2 ILE A 38 -1.945 2.604 -13.284 1.00 0.31 C ATOM 593 CD1 ILE A 38 -4.355 1.891 -11.427 1.00 43.12 C ATOM 0 H ILE A 38 -2.419 4.986 -10.081 1.00 42.42 H new ATOM 0 HA ILE A 38 -0.369 3.255 -10.914 1.00 62.41 H new ATOM 0 HB ILE A 38 -2.949 4.198 -12.282 1.00 31.41 H new ATOM 0 HG12 ILE A 38 -2.371 1.661 -10.663 1.00 54.22 H new ATOM 0 HG13 ILE A 38 -3.219 3.066 -10.048 1.00 54.22 H new ATOM 0 HG21 ILE A 38 -2.857 2.174 -13.698 1.00 0.31 H new ATOM 0 HG22 ILE A 38 -1.500 3.282 -14.013 1.00 0.31 H new ATOM 0 HG23 ILE A 38 -1.240 1.805 -13.054 1.00 0.31 H new ATOM 0 HD11 ILE A 38 -4.790 1.281 -10.635 1.00 43.12 H new ATOM 0 HD12 ILE A 38 -5.042 2.698 -11.682 1.00 43.12 H new ATOM 0 HD13 ILE A 38 -4.180 1.272 -12.307 1.00 43.12 H new ATOM 605 N ASP A 39 -0.697 6.008 -12.743 1.00 5.42 N ATOM 606 CA ASP A 39 -0.064 6.933 -13.707 1.00 11.33 C ATOM 607 C ASP A 39 1.318 7.421 -13.202 1.00 74.33 C ATOM 608 O ASP A 39 2.254 7.566 -13.991 1.00 5.04 O ATOM 609 CB ASP A 39 -1.025 8.129 -13.978 1.00 73.22 C ATOM 610 CG ASP A 39 -0.386 9.285 -14.766 1.00 30.11 C ATOM 611 OD1 ASP A 39 -0.108 9.120 -15.971 1.00 53.42 O ATOM 612 OD2 ASP A 39 -0.156 10.363 -14.184 1.00 21.35 O ATOM 0 H ASP A 39 -1.577 6.360 -12.366 1.00 5.42 H new ATOM 0 HA ASP A 39 0.114 6.402 -14.642 1.00 11.33 H new ATOM 0 HB2 ASP A 39 -1.893 7.766 -14.528 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -1.389 8.512 -13.024 1.00 73.22 H new ATOM 617 N ARG A 40 1.434 7.642 -11.882 1.00 72.43 N ATOM 618 CA ARG A 40 2.687 8.117 -11.245 1.00 10.34 C ATOM 619 C ARG A 40 3.727 6.982 -11.154 1.00 51.04 C ATOM 620 O ARG A 40 4.936 7.232 -11.224 1.00 44.44 O ATOM 621 CB ARG A 40 2.386 8.699 -9.836 1.00 13.20 C ATOM 622 CG ARG A 40 1.327 9.825 -9.842 1.00 73.44 C ATOM 623 CD ARG A 40 1.092 10.462 -8.464 1.00 62.43 C ATOM 624 NE ARG A 40 2.250 11.247 -8.015 1.00 14.34 N ATOM 625 CZ ARG A 40 2.217 12.223 -7.096 1.00 0.24 C ATOM 626 NH1 ARG A 40 1.072 12.572 -6.493 1.00 4.13 N ATOM 627 NH2 ARG A 40 3.338 12.860 -6.811 1.00 24.11 N ATOM 0 H ARG A 40 0.669 7.499 -11.223 1.00 72.43 H new ATOM 0 HA ARG A 40 3.109 8.907 -11.867 1.00 10.34 H new ATOM 0 HB2 ARG A 40 2.044 7.894 -9.186 1.00 13.20 H new ATOM 0 HB3 ARG A 40 3.311 9.084 -9.407 1.00 13.20 H new ATOM 0 HG2 ARG A 40 1.638 10.600 -10.542 1.00 73.44 H new ATOM 0 HG3 ARG A 40 0.384 9.422 -10.211 1.00 73.44 H new ATOM 0 HD2 ARG A 40 0.213 11.105 -8.507 1.00 62.43 H new ATOM 0 HD3 ARG A 40 0.879 9.680 -7.735 1.00 62.43 H new ATOM 0 HE ARG A 40 3.153 11.032 -8.437 1.00 14.34 H new ATOM 0 HH11 ARG A 40 0.204 12.092 -6.730 1.00 4.13 H new ATOM 0 HH12 ARG A 40 1.069 13.317 -5.797 1.00 4.13 H new ATOM 0 HH21 ARG A 40 4.204 12.606 -7.286 1.00 24.11 H new ATOM 0 HH22 ARG A 40 3.338 13.606 -6.115 1.00 24.11 H new ATOM 641 N LEU A 41 3.241 5.738 -10.999 1.00 70.10 N ATOM 642 CA LEU A 41 4.086 4.525 -11.041 1.00 41.51 C ATOM 643 C LEU A 41 4.715 4.353 -12.443 1.00 4.01 C ATOM 644 O LEU A 41 5.874 3.936 -12.557 1.00 4.33 O ATOM 645 CB LEU A 41 3.254 3.267 -10.632 1.00 2.41 C ATOM 646 CG LEU A 41 2.753 3.218 -9.143 1.00 70.03 C ATOM 647 CD1 LEU A 41 1.728 2.073 -8.910 1.00 51.01 C ATOM 648 CD2 LEU A 41 3.944 3.114 -8.169 1.00 11.22 C ATOM 0 H LEU A 41 2.253 5.542 -10.841 1.00 70.10 H new ATOM 0 HA LEU A 41 4.898 4.637 -10.323 1.00 41.51 H new ATOM 0 HB2 LEU A 41 2.386 3.203 -11.288 1.00 2.41 H new ATOM 0 HB3 LEU A 41 3.860 2.380 -10.819 1.00 2.41 H new ATOM 0 HG LEU A 41 2.231 4.153 -8.942 1.00 70.03 H new ATOM 0 HD11 LEU A 41 1.409 2.077 -7.868 1.00 51.01 H new ATOM 0 HD12 LEU A 41 0.862 2.223 -9.555 1.00 51.01 H new ATOM 0 HD13 LEU A 41 2.193 1.115 -9.144 1.00 51.01 H new ATOM 0 HD21 LEU A 41 3.574 3.081 -7.144 1.00 11.22 H new ATOM 0 HD22 LEU A 41 4.508 2.206 -8.380 1.00 11.22 H new ATOM 0 HD23 LEU A 41 4.592 3.981 -8.293 1.00 11.22 H new ATOM 660 N LYS A 42 3.946 4.729 -13.495 1.00 72.33 N ATOM 661 CA LYS A 42 4.443 4.782 -14.902 1.00 13.43 C ATOM 662 C LYS A 42 5.590 5.808 -15.057 1.00 73.51 C ATOM 663 O LYS A 42 6.519 5.603 -15.841 1.00 31.03 O ATOM 664 CB LYS A 42 3.291 5.145 -15.891 1.00 60.51 C ATOM 665 CG LYS A 42 2.119 4.150 -15.884 1.00 12.24 C ATOM 666 CD LYS A 42 1.005 4.495 -16.897 1.00 53.22 C ATOM 667 CE LYS A 42 -0.163 3.490 -16.840 1.00 72.45 C ATOM 668 NZ LYS A 42 -1.236 3.828 -17.812 1.00 41.43 N ATOM 0 H LYS A 42 2.968 5.004 -13.398 1.00 72.33 H new ATOM 0 HA LYS A 42 4.823 3.789 -15.143 1.00 13.43 H new ATOM 0 HB2 LYS A 42 2.913 6.137 -15.643 1.00 60.51 H new ATOM 0 HB3 LYS A 42 3.698 5.203 -16.900 1.00 60.51 H new ATOM 0 HG2 LYS A 42 2.500 3.152 -16.102 1.00 12.24 H new ATOM 0 HG3 LYS A 42 1.689 4.115 -14.883 1.00 12.24 H new ATOM 0 HD2 LYS A 42 0.630 5.498 -16.695 1.00 53.22 H new ATOM 0 HD3 LYS A 42 1.423 4.508 -17.904 1.00 53.22 H new ATOM 0 HE2 LYS A 42 0.211 2.487 -17.047 1.00 72.45 H new ATOM 0 HE3 LYS A 42 -0.578 3.474 -15.832 1.00 72.45 H new ATOM 0 HZ1 LYS A 42 -2.002 3.128 -17.741 1.00 41.43 H new ATOM 0 HZ2 LYS A 42 -1.611 4.774 -17.600 1.00 41.43 H new ATOM 0 HZ3 LYS A 42 -0.846 3.819 -18.776 1.00 41.43 H new ATOM 682 N ARG A 43 5.511 6.907 -14.285 1.00 75.31 N ATOM 683 CA ARG A 43 6.481 8.029 -14.340 1.00 12.24 C ATOM 684 C ARG A 43 7.716 7.778 -13.456 1.00 34.41 C ATOM 685 O ARG A 43 8.609 8.632 -13.408 1.00 33.45 O ATOM 686 CB ARG A 43 5.774 9.351 -13.910 1.00 74.43 C ATOM 687 CG ARG A 43 4.556 9.702 -14.788 1.00 12.43 C ATOM 688 CD ARG A 43 3.841 10.994 -14.365 1.00 52.30 C ATOM 689 NE ARG A 43 2.545 11.127 -15.049 1.00 73.23 N ATOM 690 CZ ARG A 43 2.160 12.145 -15.826 1.00 10.21 C ATOM 691 NH1 ARG A 43 2.974 13.170 -16.068 1.00 64.52 N ATOM 692 NH2 ARG A 43 0.936 12.133 -16.334 1.00 33.34 N ATOM 0 H ARG A 43 4.769 7.048 -13.599 1.00 75.31 H new ATOM 0 HA ARG A 43 6.834 8.112 -15.368 1.00 12.24 H new ATOM 0 HB2 ARG A 43 5.452 9.262 -12.872 1.00 74.43 H new ATOM 0 HB3 ARG A 43 6.492 10.170 -13.952 1.00 74.43 H new ATOM 0 HG2 ARG A 43 4.882 9.800 -15.823 1.00 12.43 H new ATOM 0 HG3 ARG A 43 3.845 8.876 -14.754 1.00 12.43 H new ATOM 0 HD2 ARG A 43 3.688 10.993 -13.286 1.00 52.30 H new ATOM 0 HD3 ARG A 43 4.469 11.854 -14.597 1.00 52.30 H new ATOM 0 HE ARG A 43 1.875 10.369 -14.918 1.00 73.23 H new ATOM 0 HH11 ARG A 43 3.908 13.187 -15.658 1.00 64.52 H new ATOM 0 HH12 ARG A 43 2.664 13.938 -16.663 1.00 64.52 H new ATOM 0 HH21 ARG A 43 0.307 11.357 -16.130 1.00 33.34 H new ATOM 0 HH22 ARG A 43 0.623 12.900 -16.929 1.00 33.34 H new ATOM 706 N ARG A 44 7.746 6.614 -12.745 1.00 52.21 N ATOM 707 CA ARG A 44 8.830 6.246 -11.788 1.00 13.00 C ATOM 708 C ARG A 44 8.881 7.252 -10.610 1.00 30.42 C ATOM 709 O ARG A 44 9.881 7.350 -9.889 1.00 52.13 O ATOM 710 CB ARG A 44 10.214 6.132 -12.517 1.00 0.31 C ATOM 711 CG ARG A 44 10.250 5.104 -13.676 1.00 24.11 C ATOM 712 CD ARG A 44 10.176 3.645 -13.205 1.00 71.44 C ATOM 713 NE ARG A 44 11.429 3.219 -12.561 1.00 14.42 N ATOM 714 CZ ARG A 44 11.577 2.859 -11.281 1.00 51.31 C ATOM 715 NH1 ARG A 44 10.551 2.876 -10.433 1.00 73.44 N ATOM 716 NH2 ARG A 44 12.768 2.468 -10.860 1.00 34.22 N ATOM 0 H ARG A 44 7.018 5.904 -12.820 1.00 52.21 H new ATOM 0 HA ARG A 44 8.604 5.263 -11.375 1.00 13.00 H new ATOM 0 HB2 ARG A 44 10.485 7.112 -12.910 1.00 0.31 H new ATOM 0 HB3 ARG A 44 10.974 5.861 -11.785 1.00 0.31 H new ATOM 0 HG2 ARG A 44 9.418 5.302 -14.352 1.00 24.11 H new ATOM 0 HG3 ARG A 44 11.167 5.246 -14.249 1.00 24.11 H new ATOM 0 HD2 ARG A 44 9.349 3.530 -12.505 1.00 71.44 H new ATOM 0 HD3 ARG A 44 9.965 2.998 -14.056 1.00 71.44 H new ATOM 0 HE ARG A 44 12.264 3.196 -13.146 1.00 14.42 H new ATOM 0 HH11 ARG A 44 9.628 3.168 -10.755 1.00 73.44 H new ATOM 0 HH12 ARG A 44 10.688 2.597 -9.461 1.00 73.44 H new ATOM 0 HH21 ARG A 44 13.555 2.444 -11.508 1.00 34.22 H new ATOM 0 HH22 ARG A 44 12.899 2.190 -9.887 1.00 34.22 H new ATOM 730 N ASN A 45 7.738 7.930 -10.399 1.00 32.31 N ATOM 731 CA ASN A 45 7.580 9.045 -9.447 1.00 60.05 C ATOM 732 C ASN A 45 7.521 8.527 -7.995 1.00 32.30 C ATOM 733 O ASN A 45 7.786 9.269 -7.040 1.00 74.31 O ATOM 734 CB ASN A 45 6.289 9.824 -9.840 1.00 3.12 C ATOM 735 CG ASN A 45 6.086 11.149 -9.105 1.00 74.25 C ATOM 736 OD1 ASN A 45 5.394 11.224 -8.095 1.00 3.31 O ATOM 737 ND2 ASN A 45 6.676 12.209 -9.632 1.00 51.52 N ATOM 0 H ASN A 45 6.876 7.712 -10.899 1.00 32.31 H new ATOM 0 HA ASN A 45 8.439 9.714 -9.496 1.00 60.05 H new ATOM 0 HB2 ASN A 45 6.313 10.020 -10.912 1.00 3.12 H new ATOM 0 HB3 ASN A 45 5.426 9.185 -9.652 1.00 3.12 H new ATOM 0 HD21 ASN A 45 6.562 13.125 -9.197 1.00 51.52 H new ATOM 0 HD22 ASN A 45 7.245 12.111 -10.473 1.00 51.52 H new ATOM 744 N ILE A 46 7.182 7.231 -7.854 1.00 52.30 N ATOM 745 CA ILE A 46 7.059 6.548 -6.557 1.00 10.04 C ATOM 746 C ILE A 46 8.103 5.413 -6.472 1.00 4.12 C ATOM 747 O ILE A 46 8.200 4.579 -7.384 1.00 44.01 O ATOM 748 CB ILE A 46 5.605 5.969 -6.370 1.00 44.40 C ATOM 749 CG1 ILE A 46 4.540 7.090 -6.626 1.00 3.41 C ATOM 750 CG2 ILE A 46 5.430 5.336 -4.966 1.00 70.21 C ATOM 751 CD1 ILE A 46 3.093 6.668 -6.455 1.00 33.03 C ATOM 0 H ILE A 46 6.984 6.624 -8.649 1.00 52.30 H new ATOM 0 HA ILE A 46 7.243 7.267 -5.759 1.00 10.04 H new ATOM 0 HB ILE A 46 5.452 5.177 -7.103 1.00 44.40 H new ATOM 0 HG12 ILE A 46 4.741 7.919 -5.948 1.00 3.41 H new ATOM 0 HG13 ILE A 46 4.673 7.468 -7.640 1.00 3.41 H new ATOM 0 HG21 ILE A 46 4.417 4.945 -4.867 1.00 70.21 H new ATOM 0 HG22 ILE A 46 6.146 4.524 -4.841 1.00 70.21 H new ATOM 0 HG23 ILE A 46 5.603 6.093 -4.201 1.00 70.21 H new ATOM 0 HD11 ILE A 46 2.440 7.518 -6.655 1.00 33.03 H new ATOM 0 HD12 ILE A 46 2.864 5.862 -7.152 1.00 33.03 H new ATOM 0 HD13 ILE A 46 2.934 6.321 -5.434 1.00 33.03 H new ATOM 763 N ASP A 47 8.877 5.405 -5.378 1.00 31.43 N ATOM 764 CA ASP A 47 9.962 4.422 -5.141 1.00 55.43 C ATOM 765 C ASP A 47 9.418 3.188 -4.397 1.00 24.35 C ATOM 766 O ASP A 47 9.848 2.042 -4.632 1.00 52.33 O ATOM 767 CB ASP A 47 11.056 5.130 -4.307 1.00 71.32 C ATOM 768 CG ASP A 47 12.323 4.298 -4.039 1.00 70.41 C ATOM 769 OD1 ASP A 47 13.315 4.447 -4.787 1.00 61.14 O ATOM 770 OD2 ASP A 47 12.357 3.546 -3.044 1.00 72.34 O ATOM 0 H ASP A 47 8.773 6.082 -4.623 1.00 31.43 H new ATOM 0 HA ASP A 47 10.376 4.072 -6.087 1.00 55.43 H new ATOM 0 HB2 ASP A 47 11.345 6.046 -4.822 1.00 71.32 H new ATOM 0 HB3 ASP A 47 10.626 5.424 -3.350 1.00 71.32 H new ATOM 775 N MET A 48 8.481 3.456 -3.483 1.00 12.32 N ATOM 776 CA MET A 48 7.832 2.437 -2.658 1.00 73.44 C ATOM 777 C MET A 48 6.410 2.900 -2.298 1.00 42.13 C ATOM 778 O MET A 48 6.190 4.068 -1.959 1.00 43.40 O ATOM 779 CB MET A 48 8.687 2.112 -1.396 1.00 32.51 C ATOM 780 CG MET A 48 9.094 3.316 -0.531 1.00 15.12 C ATOM 781 SD MET A 48 10.195 2.857 0.832 1.00 50.53 S ATOM 782 CE MET A 48 9.197 1.669 1.734 1.00 14.41 C ATOM 0 H MET A 48 8.148 4.401 -3.294 1.00 12.32 H new ATOM 0 HA MET A 48 7.752 1.508 -3.223 1.00 73.44 H new ATOM 0 HB2 MET A 48 8.128 1.414 -0.773 1.00 32.51 H new ATOM 0 HB3 MET A 48 9.593 1.598 -1.717 1.00 32.51 H new ATOM 0 HG2 MET A 48 9.588 4.058 -1.158 1.00 15.12 H new ATOM 0 HG3 MET A 48 8.198 3.787 -0.126 1.00 15.12 H new ATOM 0 HE1 MET A 48 9.693 1.414 2.670 1.00 14.41 H new ATOM 0 HE2 MET A 48 8.220 2.102 1.947 1.00 14.41 H new ATOM 0 HE3 MET A 48 9.071 0.769 1.133 1.00 14.41 H new ATOM 792 N ILE A 49 5.452 1.970 -2.391 1.00 53.11 N ATOM 793 CA ILE A 49 4.017 2.255 -2.235 1.00 11.04 C ATOM 794 C ILE A 49 3.376 1.196 -1.322 1.00 24.41 C ATOM 795 O ILE A 49 3.782 0.036 -1.326 1.00 31.12 O ATOM 796 CB ILE A 49 3.296 2.290 -3.639 1.00 1.02 C ATOM 797 CG1 ILE A 49 1.758 2.557 -3.487 1.00 65.25 C ATOM 798 CG2 ILE A 49 3.571 1.001 -4.458 1.00 23.31 C ATOM 799 CD1 ILE A 49 0.966 2.510 -4.780 1.00 74.52 C ATOM 0 H ILE A 49 5.651 0.987 -2.579 1.00 53.11 H new ATOM 0 HA ILE A 49 3.901 3.237 -1.776 1.00 11.04 H new ATOM 0 HB ILE A 49 3.719 3.124 -4.199 1.00 1.02 H new ATOM 0 HG12 ILE A 49 1.344 1.821 -2.798 1.00 65.25 H new ATOM 0 HG13 ILE A 49 1.618 3.536 -3.029 1.00 65.25 H new ATOM 0 HG21 ILE A 49 3.058 1.063 -5.418 1.00 23.31 H new ATOM 0 HG22 ILE A 49 4.643 0.898 -4.626 1.00 23.31 H new ATOM 0 HG23 ILE A 49 3.205 0.135 -3.907 1.00 23.31 H new ATOM 0 HD11 ILE A 49 -0.085 2.707 -4.570 1.00 74.52 H new ATOM 0 HD12 ILE A 49 1.346 3.266 -5.467 1.00 74.52 H new ATOM 0 HD13 ILE A 49 1.067 1.524 -5.233 1.00 74.52 H new ATOM 811 N ILE A 50 2.399 1.618 -0.503 1.00 72.33 N ATOM 812 CA ILE A 50 1.649 0.727 0.399 1.00 3.20 C ATOM 813 C ILE A 50 0.149 0.999 0.200 1.00 70.35 C ATOM 814 O ILE A 50 -0.285 2.141 0.324 1.00 3.42 O ATOM 815 CB ILE A 50 2.085 0.964 1.899 1.00 64.03 C ATOM 816 CG1 ILE A 50 3.633 0.735 2.056 1.00 14.40 C ATOM 817 CG2 ILE A 50 1.275 0.067 2.867 1.00 23.24 C ATOM 818 CD1 ILE A 50 4.199 0.961 3.440 1.00 5.24 C ATOM 0 H ILE A 50 2.105 2.593 -0.447 1.00 72.33 H new ATOM 0 HA ILE A 50 1.862 -0.316 0.167 1.00 3.20 H new ATOM 0 HB ILE A 50 1.866 1.998 2.164 1.00 64.03 H new ATOM 0 HG12 ILE A 50 3.862 -0.287 1.754 1.00 14.40 H new ATOM 0 HG13 ILE A 50 4.150 1.396 1.361 1.00 14.40 H new ATOM 0 HG21 ILE A 50 1.598 0.253 3.891 1.00 23.24 H new ATOM 0 HG22 ILE A 50 0.214 0.297 2.774 1.00 23.24 H new ATOM 0 HG23 ILE A 50 1.443 -0.981 2.618 1.00 23.24 H new ATOM 0 HD11 ILE A 50 5.273 0.774 3.429 1.00 5.24 H new ATOM 0 HD12 ILE A 50 4.013 1.991 3.745 1.00 5.24 H new ATOM 0 HD13 ILE A 50 3.720 0.281 4.145 1.00 5.24 H new ATOM 830 N VAL A 51 -0.629 -0.048 -0.140 1.00 32.13 N ATOM 831 CA VAL A 51 -2.046 0.087 -0.537 1.00 25.14 C ATOM 832 C VAL A 51 -2.952 -0.678 0.439 1.00 3.50 C ATOM 833 O VAL A 51 -2.816 -1.892 0.579 1.00 1.23 O ATOM 834 CB VAL A 51 -2.289 -0.444 -2.004 1.00 41.31 C ATOM 835 CG1 VAL A 51 -3.743 -0.193 -2.470 1.00 4.44 C ATOM 836 CG2 VAL A 51 -1.279 0.172 -2.992 1.00 74.23 C ATOM 0 H VAL A 51 -0.293 -1.011 -0.147 1.00 32.13 H new ATOM 0 HA VAL A 51 -2.293 1.148 -0.508 1.00 25.14 H new ATOM 0 HB VAL A 51 -2.132 -1.523 -1.988 1.00 41.31 H new ATOM 0 HG11 VAL A 51 -3.871 -0.572 -3.484 1.00 4.44 H new ATOM 0 HG12 VAL A 51 -4.433 -0.707 -1.801 1.00 4.44 H new ATOM 0 HG13 VAL A 51 -3.951 0.877 -2.454 1.00 4.44 H new ATOM 0 HG21 VAL A 51 -1.470 -0.212 -3.994 1.00 74.23 H new ATOM 0 HG22 VAL A 51 -1.386 1.257 -2.992 1.00 74.23 H new ATOM 0 HG23 VAL A 51 -0.266 -0.093 -2.689 1.00 74.23 H new ATOM 846 N LYS A 52 -3.868 0.050 1.101 1.00 13.53 N ATOM 847 CA LYS A 52 -4.923 -0.526 1.950 1.00 64.12 C ATOM 848 C LYS A 52 -6.264 -0.468 1.190 1.00 54.44 C ATOM 849 O LYS A 52 -6.850 0.609 1.026 1.00 11.13 O ATOM 850 CB LYS A 52 -5.015 0.238 3.303 1.00 53.53 C ATOM 851 CG LYS A 52 -6.221 -0.130 4.211 1.00 64.14 C ATOM 852 CD LYS A 52 -6.279 -1.618 4.616 1.00 73.44 C ATOM 853 CE LYS A 52 -7.491 -1.925 5.513 1.00 41.11 C ATOM 854 NZ LYS A 52 -8.783 -1.584 4.857 1.00 42.03 N ATOM 0 H LYS A 52 -3.896 1.069 1.060 1.00 13.53 H new ATOM 0 HA LYS A 52 -4.684 -1.565 2.176 1.00 64.12 H new ATOM 0 HB2 LYS A 52 -4.097 0.059 3.862 1.00 53.53 H new ATOM 0 HB3 LYS A 52 -5.057 1.307 3.092 1.00 53.53 H new ATOM 0 HG2 LYS A 52 -6.180 0.479 5.114 1.00 64.14 H new ATOM 0 HG3 LYS A 52 -7.144 0.130 3.693 1.00 64.14 H new ATOM 0 HD2 LYS A 52 -6.326 -2.236 3.719 1.00 73.44 H new ATOM 0 HD3 LYS A 52 -5.362 -1.887 5.141 1.00 73.44 H new ATOM 0 HE2 LYS A 52 -7.487 -2.983 5.774 1.00 41.11 H new ATOM 0 HE3 LYS A 52 -7.401 -1.366 6.445 1.00 41.11 H new ATOM 0 HZ1 LYS A 52 -9.567 -1.777 5.513 1.00 42.03 H new ATOM 0 HZ2 LYS A 52 -8.786 -0.576 4.600 1.00 42.03 H new ATOM 0 HZ3 LYS A 52 -8.900 -2.160 3.999 1.00 42.03 H new ATOM 868 N THR A 53 -6.720 -1.641 0.730 1.00 72.24 N ATOM 869 CA THR A 53 -8.012 -1.811 0.040 1.00 45.35 C ATOM 870 C THR A 53 -8.335 -3.316 -0.061 1.00 24.13 C ATOM 871 O THR A 53 -7.422 -4.145 -0.093 1.00 42.04 O ATOM 872 CB THR A 53 -8.035 -1.142 -1.395 1.00 10.21 C ATOM 873 OG1 THR A 53 -9.344 -1.237 -1.968 1.00 60.13 O ATOM 874 CG2 THR A 53 -7.031 -1.771 -2.373 1.00 21.45 C ATOM 0 H THR A 53 -6.197 -2.512 0.826 1.00 72.24 H new ATOM 0 HA THR A 53 -8.774 -1.300 0.628 1.00 45.35 H new ATOM 0 HB THR A 53 -7.750 -0.101 -1.244 1.00 10.21 H new ATOM 0 HG1 THR A 53 -9.344 -0.818 -2.854 1.00 60.13 H new ATOM 0 HG21 THR A 53 -7.098 -1.267 -3.337 1.00 21.45 H new ATOM 0 HG22 THR A 53 -6.021 -1.664 -1.977 1.00 21.45 H new ATOM 0 HG23 THR A 53 -7.261 -2.829 -2.500 1.00 21.45 H new ATOM 882 N GLU A 54 -9.636 -3.657 -0.066 1.00 5.10 N ATOM 883 CA GLU A 54 -10.124 -5.042 -0.267 1.00 24.41 C ATOM 884 C GLU A 54 -10.540 -5.257 -1.742 1.00 41.54 C ATOM 885 O GLU A 54 -10.999 -6.342 -2.119 1.00 60.25 O ATOM 886 CB GLU A 54 -11.313 -5.344 0.697 1.00 1.13 C ATOM 887 CG GLU A 54 -10.946 -5.420 2.203 1.00 31.31 C ATOM 888 CD GLU A 54 -10.539 -4.068 2.829 1.00 44.41 C ATOM 889 OE1 GLU A 54 -9.349 -3.879 3.177 1.00 2.13 O ATOM 890 OE2 GLU A 54 -11.411 -3.189 2.971 1.00 40.23 O ATOM 0 H GLU A 54 -10.386 -2.979 0.070 1.00 5.10 H new ATOM 0 HA GLU A 54 -9.315 -5.736 -0.037 1.00 24.41 H new ATOM 0 HB2 GLU A 54 -12.072 -4.573 0.564 1.00 1.13 H new ATOM 0 HB3 GLU A 54 -11.766 -6.291 0.403 1.00 1.13 H new ATOM 0 HG2 GLU A 54 -11.798 -5.819 2.753 1.00 31.31 H new ATOM 0 HG3 GLU A 54 -10.126 -6.127 2.330 1.00 31.31 H new ATOM 897 N ASP A 55 -10.408 -4.196 -2.564 1.00 32.20 N ATOM 898 CA ASP A 55 -10.639 -4.272 -4.012 1.00 74.51 C ATOM 899 C ASP A 55 -9.437 -5.000 -4.645 1.00 24.14 C ATOM 900 O ASP A 55 -8.403 -4.385 -4.919 1.00 52.13 O ATOM 901 CB ASP A 55 -10.836 -2.838 -4.611 1.00 61.32 C ATOM 902 CG ASP A 55 -11.161 -2.778 -6.128 1.00 4.04 C ATOM 903 OD1 ASP A 55 -11.350 -3.824 -6.790 1.00 60.03 O ATOM 904 OD2 ASP A 55 -11.247 -1.653 -6.665 1.00 12.33 O ATOM 0 H ASP A 55 -10.139 -3.267 -2.239 1.00 32.20 H new ATOM 0 HA ASP A 55 -11.551 -4.828 -4.229 1.00 74.51 H new ATOM 0 HB2 ASP A 55 -11.641 -2.345 -4.066 1.00 61.32 H new ATOM 0 HB3 ASP A 55 -9.929 -2.261 -4.430 1.00 61.32 H new ATOM 909 N LYS A 56 -9.592 -6.330 -4.829 1.00 55.32 N ATOM 910 CA LYS A 56 -8.563 -7.232 -5.414 1.00 75.31 C ATOM 911 C LYS A 56 -8.080 -6.759 -6.800 1.00 40.32 C ATOM 912 O LYS A 56 -6.905 -6.929 -7.151 1.00 73.51 O ATOM 913 CB LYS A 56 -9.131 -8.669 -5.553 1.00 22.22 C ATOM 914 CG LYS A 56 -9.688 -9.266 -4.249 1.00 10.43 C ATOM 915 CD LYS A 56 -10.322 -10.658 -4.461 1.00 53.21 C ATOM 916 CE LYS A 56 -11.505 -10.635 -5.451 1.00 62.34 C ATOM 917 NZ LYS A 56 -12.130 -11.979 -5.597 1.00 3.23 N ATOM 0 H LYS A 56 -10.449 -6.820 -4.572 1.00 55.32 H new ATOM 0 HA LYS A 56 -7.712 -7.217 -4.733 1.00 75.31 H new ATOM 0 HB2 LYS A 56 -9.923 -8.662 -6.301 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -8.344 -9.322 -5.929 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -8.885 -9.344 -3.516 1.00 10.43 H new ATOM 0 HG3 LYS A 56 -10.435 -8.590 -3.833 1.00 10.43 H new ATOM 0 HD2 LYS A 56 -9.561 -11.346 -4.828 1.00 53.21 H new ATOM 0 HD3 LYS A 56 -10.665 -11.045 -3.502 1.00 53.21 H new ATOM 0 HE2 LYS A 56 -12.254 -9.922 -5.106 1.00 62.34 H new ATOM 0 HE3 LYS A 56 -11.158 -10.288 -6.424 1.00 62.34 H new ATOM 0 HZ1 LYS A 56 -12.921 -11.923 -6.270 1.00 3.23 H new ATOM 0 HZ2 LYS A 56 -11.422 -12.654 -5.950 1.00 3.23 H new ATOM 0 HZ3 LYS A 56 -12.484 -12.299 -4.673 1.00 3.23 H new ATOM 931 N GLU A 57 -9.008 -6.166 -7.562 1.00 73.24 N ATOM 932 CA GLU A 57 -8.770 -5.696 -8.937 1.00 21.20 C ATOM 933 C GLU A 57 -7.927 -4.401 -8.941 1.00 53.04 C ATOM 934 O GLU A 57 -7.095 -4.209 -9.835 1.00 24.12 O ATOM 935 CB GLU A 57 -10.140 -5.493 -9.635 1.00 63.42 C ATOM 936 CG GLU A 57 -10.999 -6.780 -9.717 1.00 31.00 C ATOM 937 CD GLU A 57 -12.444 -6.525 -10.192 1.00 50.24 C ATOM 938 OE1 GLU A 57 -13.223 -5.916 -9.424 1.00 33.11 O ATOM 939 OE2 GLU A 57 -12.809 -6.928 -11.321 1.00 50.04 O ATOM 0 H GLU A 57 -9.960 -5.996 -7.238 1.00 73.24 H new ATOM 0 HA GLU A 57 -8.197 -6.441 -9.489 1.00 21.20 H new ATOM 0 HB2 GLU A 57 -10.700 -4.727 -9.098 1.00 63.42 H new ATOM 0 HB3 GLU A 57 -9.971 -5.116 -10.644 1.00 63.42 H new ATOM 0 HG2 GLU A 57 -10.520 -7.484 -10.397 1.00 31.00 H new ATOM 0 HG3 GLU A 57 -11.026 -7.253 -8.735 1.00 31.00 H new ATOM 946 N SER A 58 -8.125 -3.547 -7.916 1.00 43.03 N ATOM 947 CA SER A 58 -7.281 -2.346 -7.705 1.00 65.13 C ATOM 948 C SER A 58 -5.857 -2.776 -7.327 1.00 51.23 C ATOM 949 O SER A 58 -4.887 -2.359 -7.968 1.00 1.51 O ATOM 950 CB SER A 58 -7.867 -1.437 -6.598 1.00 71.24 C ATOM 951 OG SER A 58 -7.033 -0.321 -6.327 1.00 21.14 O ATOM 0 H SER A 58 -8.861 -3.664 -7.220 1.00 43.03 H new ATOM 0 HA SER A 58 -7.258 -1.776 -8.634 1.00 65.13 H new ATOM 0 HB2 SER A 58 -8.853 -1.087 -6.902 1.00 71.24 H new ATOM 0 HB3 SER A 58 -8.002 -2.018 -5.686 1.00 71.24 H new ATOM 0 HG SER A 58 -7.439 0.228 -5.624 1.00 21.14 H new ATOM 957 N ILE A 59 -5.780 -3.671 -6.310 1.00 73.35 N ATOM 958 CA ILE A 59 -4.518 -4.259 -5.803 1.00 40.42 C ATOM 959 C ILE A 59 -3.692 -4.832 -6.972 1.00 71.01 C ATOM 960 O ILE A 59 -2.497 -4.556 -7.104 1.00 71.41 O ATOM 961 CB ILE A 59 -4.815 -5.417 -4.761 1.00 5.01 C ATOM 962 CG1 ILE A 59 -5.566 -4.879 -3.498 1.00 32.45 C ATOM 963 CG2 ILE A 59 -3.525 -6.163 -4.359 1.00 14.43 C ATOM 964 CD1 ILE A 59 -6.039 -5.955 -2.527 1.00 61.11 C ATOM 0 H ILE A 59 -6.605 -4.008 -5.814 1.00 73.35 H new ATOM 0 HA ILE A 59 -3.954 -3.469 -5.306 1.00 40.42 H new ATOM 0 HB ILE A 59 -5.472 -6.131 -5.257 1.00 5.01 H new ATOM 0 HG12 ILE A 59 -4.907 -4.194 -2.965 1.00 32.45 H new ATOM 0 HG13 ILE A 59 -6.430 -4.300 -3.826 1.00 32.45 H new ATOM 0 HG21 ILE A 59 -3.767 -6.949 -3.644 1.00 14.43 H new ATOM 0 HG22 ILE A 59 -3.070 -6.606 -5.245 1.00 14.43 H new ATOM 0 HG23 ILE A 59 -2.826 -5.462 -3.904 1.00 14.43 H new ATOM 0 HD11 ILE A 59 -6.548 -5.487 -1.684 1.00 61.11 H new ATOM 0 HD12 ILE A 59 -6.727 -6.629 -3.037 1.00 61.11 H new ATOM 0 HD13 ILE A 59 -5.181 -6.520 -2.164 1.00 61.11 H new ATOM 976 N SER A 60 -4.407 -5.575 -7.835 1.00 71.30 N ATOM 977 CA SER A 60 -3.862 -6.233 -9.026 1.00 64.35 C ATOM 978 C SER A 60 -3.092 -5.240 -9.929 1.00 32.12 C ATOM 979 O SER A 60 -1.914 -5.462 -10.228 1.00 25.05 O ATOM 980 CB SER A 60 -5.024 -6.899 -9.808 1.00 13.41 C ATOM 981 OG SER A 60 -4.575 -7.614 -10.940 1.00 35.11 O ATOM 0 H SER A 60 -5.407 -5.736 -7.716 1.00 71.30 H new ATOM 0 HA SER A 60 -3.146 -6.992 -8.710 1.00 64.35 H new ATOM 0 HB2 SER A 60 -5.563 -7.576 -9.145 1.00 13.41 H new ATOM 0 HB3 SER A 60 -5.731 -6.132 -10.124 1.00 13.41 H new ATOM 0 HG SER A 60 -3.739 -8.078 -10.724 1.00 35.11 H new ATOM 987 N GLU A 61 -3.752 -4.115 -10.287 1.00 73.20 N ATOM 988 CA GLU A 61 -3.205 -3.116 -11.234 1.00 75.34 C ATOM 989 C GLU A 61 -1.958 -2.419 -10.671 1.00 4.01 C ATOM 990 O GLU A 61 -0.955 -2.275 -11.387 1.00 52.14 O ATOM 991 CB GLU A 61 -4.274 -2.057 -11.638 1.00 62.01 C ATOM 992 CG GLU A 61 -5.579 -2.645 -12.215 1.00 44.30 C ATOM 993 CD GLU A 61 -5.351 -3.771 -13.248 1.00 34.30 C ATOM 994 OE1 GLU A 61 -5.658 -4.950 -12.947 1.00 5.11 O ATOM 995 OE2 GLU A 61 -4.847 -3.485 -14.356 1.00 74.11 O ATOM 0 H GLU A 61 -4.676 -3.874 -9.929 1.00 73.20 H new ATOM 0 HA GLU A 61 -2.913 -3.666 -12.129 1.00 75.34 H new ATOM 0 HB2 GLU A 61 -4.519 -1.455 -10.763 1.00 62.01 H new ATOM 0 HB3 GLU A 61 -3.838 -1.384 -12.376 1.00 62.01 H new ATOM 0 HG2 GLU A 61 -6.185 -3.033 -11.396 1.00 44.30 H new ATOM 0 HG3 GLU A 61 -6.151 -1.845 -12.684 1.00 44.30 H new ATOM 1002 N ILE A 62 -2.023 -2.017 -9.378 1.00 71.15 N ATOM 1003 CA ILE A 62 -0.890 -1.361 -8.687 1.00 4.32 C ATOM 1004 C ILE A 62 0.358 -2.287 -8.706 1.00 54.43 C ATOM 1005 O ILE A 62 1.433 -1.853 -9.126 1.00 21.43 O ATOM 1006 CB ILE A 62 -1.248 -0.906 -7.196 1.00 23.40 C ATOM 1007 CG1 ILE A 62 -2.077 0.444 -7.151 1.00 41.13 C ATOM 1008 CG2 ILE A 62 0.025 -0.771 -6.310 1.00 63.31 C ATOM 1009 CD1 ILE A 62 -3.482 0.395 -7.728 1.00 1.45 C ATOM 0 H ILE A 62 -2.850 -2.137 -8.794 1.00 71.15 H new ATOM 0 HA ILE A 62 -0.664 -0.447 -9.236 1.00 4.32 H new ATOM 0 HB ILE A 62 -1.876 -1.699 -6.790 1.00 23.40 H new ATOM 0 HG12 ILE A 62 -2.146 0.768 -6.113 1.00 41.13 H new ATOM 0 HG13 ILE A 62 -1.514 1.208 -7.687 1.00 41.13 H new ATOM 0 HG21 ILE A 62 -0.262 -0.460 -5.305 1.00 63.31 H new ATOM 0 HG22 ILE A 62 0.537 -1.732 -6.260 1.00 63.31 H new ATOM 0 HG23 ILE A 62 0.693 -0.026 -6.743 1.00 63.31 H new ATOM 0 HD11 ILE A 62 -3.946 1.377 -7.639 1.00 1.45 H new ATOM 0 HD12 ILE A 62 -3.434 0.110 -8.779 1.00 1.45 H new ATOM 0 HD13 ILE A 62 -4.075 -0.337 -7.180 1.00 1.45 H new ATOM 1021 N ILE A 63 0.184 -3.575 -8.311 1.00 54.42 N ATOM 1022 CA ILE A 63 1.291 -4.561 -8.265 1.00 3.21 C ATOM 1023 C ILE A 63 1.916 -4.760 -9.662 1.00 44.51 C ATOM 1024 O ILE A 63 3.133 -4.818 -9.774 1.00 75.14 O ATOM 1025 CB ILE A 63 0.824 -5.954 -7.693 1.00 64.30 C ATOM 1026 CG1 ILE A 63 0.281 -5.812 -6.240 1.00 51.12 C ATOM 1027 CG2 ILE A 63 1.966 -7.007 -7.742 1.00 23.00 C ATOM 1028 CD1 ILE A 63 -0.266 -7.102 -5.664 1.00 71.44 C ATOM 0 H ILE A 63 -0.717 -3.954 -8.019 1.00 54.42 H new ATOM 0 HA ILE A 63 2.042 -4.151 -7.590 1.00 3.21 H new ATOM 0 HB ILE A 63 0.014 -6.307 -8.332 1.00 64.30 H new ATOM 0 HG12 ILE A 63 1.082 -5.448 -5.596 1.00 51.12 H new ATOM 0 HG13 ILE A 63 -0.505 -5.057 -6.228 1.00 51.12 H new ATOM 0 HG21 ILE A 63 1.606 -7.954 -7.339 1.00 23.00 H new ATOM 0 HG22 ILE A 63 2.285 -7.150 -8.774 1.00 23.00 H new ATOM 0 HG23 ILE A 63 2.809 -6.657 -7.147 1.00 23.00 H new ATOM 0 HD11 ILE A 63 -0.625 -6.924 -4.650 1.00 71.44 H new ATOM 0 HD12 ILE A 63 -1.089 -7.457 -6.284 1.00 71.44 H new ATOM 0 HD13 ILE A 63 0.523 -7.854 -5.643 1.00 71.44 H new ATOM 1040 N LYS A 64 1.068 -4.826 -10.714 1.00 61.53 N ATOM 1041 CA LYS A 64 1.528 -4.943 -12.127 1.00 5.15 C ATOM 1042 C LYS A 64 2.471 -3.782 -12.494 1.00 10.02 C ATOM 1043 O LYS A 64 3.509 -3.986 -13.139 1.00 73.33 O ATOM 1044 CB LYS A 64 0.315 -4.953 -13.101 1.00 24.24 C ATOM 1045 CG LYS A 64 -0.608 -6.180 -12.973 1.00 40.33 C ATOM 1046 CD LYS A 64 -1.910 -6.016 -13.786 1.00 31.40 C ATOM 1047 CE LYS A 64 -2.838 -7.229 -13.656 1.00 43.43 C ATOM 1048 NZ LYS A 64 -4.119 -7.033 -14.391 1.00 50.44 N ATOM 0 H LYS A 64 0.053 -4.800 -10.615 1.00 61.53 H new ATOM 0 HA LYS A 64 2.070 -5.884 -12.222 1.00 5.15 H new ATOM 0 HB2 LYS A 64 -0.276 -4.053 -12.932 1.00 24.24 H new ATOM 0 HB3 LYS A 64 0.688 -4.902 -14.124 1.00 24.24 H new ATOM 0 HG2 LYS A 64 -0.078 -7.069 -13.315 1.00 40.33 H new ATOM 0 HG3 LYS A 64 -0.854 -6.339 -11.923 1.00 40.33 H new ATOM 0 HD2 LYS A 64 -2.435 -5.122 -13.449 1.00 31.40 H new ATOM 0 HD3 LYS A 64 -1.662 -5.863 -14.836 1.00 31.40 H new ATOM 0 HE2 LYS A 64 -2.332 -8.115 -14.039 1.00 43.43 H new ATOM 0 HE3 LYS A 64 -3.049 -7.413 -12.603 1.00 43.43 H new ATOM 0 HZ1 LYS A 64 -4.651 -7.927 -14.406 1.00 50.44 H new ATOM 0 HZ2 LYS A 64 -4.684 -6.302 -13.914 1.00 50.44 H new ATOM 0 HZ3 LYS A 64 -3.917 -6.733 -15.366 1.00 50.44 H new ATOM 1062 N GLN A 65 2.098 -2.571 -12.043 1.00 61.10 N ATOM 1063 CA GLN A 65 2.899 -1.351 -12.242 1.00 14.03 C ATOM 1064 C GLN A 65 4.215 -1.399 -11.433 1.00 70.13 C ATOM 1065 O GLN A 65 5.239 -0.888 -11.886 1.00 73.20 O ATOM 1066 CB GLN A 65 2.069 -0.100 -11.845 1.00 62.32 C ATOM 1067 CG GLN A 65 0.776 0.118 -12.653 1.00 13.21 C ATOM 1068 CD GLN A 65 1.008 0.186 -14.160 1.00 34.44 C ATOM 1069 OE1 GLN A 65 0.901 -0.812 -14.876 1.00 55.04 O ATOM 1070 NE2 GLN A 65 1.361 1.360 -14.643 1.00 41.42 N ATOM 0 H GLN A 65 1.231 -2.411 -11.530 1.00 61.10 H new ATOM 0 HA GLN A 65 3.161 -1.289 -13.298 1.00 14.03 H new ATOM 0 HB2 GLN A 65 1.809 -0.177 -10.789 1.00 62.32 H new ATOM 0 HB3 GLN A 65 2.699 0.783 -11.954 1.00 62.32 H new ATOM 0 HG2 GLN A 65 0.080 -0.692 -12.436 1.00 13.21 H new ATOM 0 HG3 GLN A 65 0.302 1.043 -12.324 1.00 13.21 H new ATOM 0 HE21 GLN A 65 1.440 2.165 -14.021 1.00 41.42 H new ATOM 0 HE22 GLN A 65 1.556 1.464 -15.639 1.00 41.42 H new ATOM 1079 N VAL A 66 4.173 -2.020 -10.242 1.00 73.25 N ATOM 1080 CA VAL A 66 5.346 -2.165 -9.356 1.00 12.52 C ATOM 1081 C VAL A 66 6.302 -3.273 -9.870 1.00 74.54 C ATOM 1082 O VAL A 66 7.516 -3.207 -9.646 1.00 74.24 O ATOM 1083 CB VAL A 66 4.897 -2.453 -7.873 1.00 3.20 C ATOM 1084 CG1 VAL A 66 6.106 -2.686 -6.946 1.00 73.40 C ATOM 1085 CG2 VAL A 66 4.000 -1.312 -7.330 1.00 52.34 C ATOM 0 H VAL A 66 3.323 -2.438 -9.863 1.00 73.25 H new ATOM 0 HA VAL A 66 5.892 -1.222 -9.368 1.00 12.52 H new ATOM 0 HB VAL A 66 4.310 -3.372 -7.886 1.00 3.20 H new ATOM 0 HG11 VAL A 66 5.755 -2.881 -5.933 1.00 73.40 H new ATOM 0 HG12 VAL A 66 6.679 -3.542 -7.303 1.00 73.40 H new ATOM 0 HG13 VAL A 66 6.741 -1.800 -6.946 1.00 73.40 H new ATOM 0 HG21 VAL A 66 3.705 -1.537 -6.305 1.00 52.34 H new ATOM 0 HG22 VAL A 66 4.553 -0.373 -7.350 1.00 52.34 H new ATOM 0 HG23 VAL A 66 3.110 -1.222 -7.952 1.00 52.34 H new ATOM 1095 N LEU A 67 5.750 -4.280 -10.568 1.00 32.41 N ATOM 1096 CA LEU A 67 6.547 -5.346 -11.213 1.00 51.34 C ATOM 1097 C LEU A 67 7.285 -4.749 -12.419 1.00 54.30 C ATOM 1098 O LEU A 67 8.468 -5.026 -12.645 1.00 61.53 O ATOM 1099 CB LEU A 67 5.640 -6.539 -11.653 1.00 34.41 C ATOM 1100 CG LEU A 67 4.951 -7.344 -10.500 1.00 3.42 C ATOM 1101 CD1 LEU A 67 3.993 -8.427 -11.055 1.00 21.42 C ATOM 1102 CD2 LEU A 67 5.992 -7.946 -9.522 1.00 34.43 C ATOM 0 H LEU A 67 4.744 -4.381 -10.703 1.00 32.41 H new ATOM 0 HA LEU A 67 7.270 -5.738 -10.498 1.00 51.34 H new ATOM 0 HB2 LEU A 67 4.863 -6.154 -12.314 1.00 34.41 H new ATOM 0 HB3 LEU A 67 6.244 -7.230 -12.240 1.00 34.41 H new ATOM 0 HG LEU A 67 4.345 -6.639 -9.930 1.00 3.42 H new ATOM 0 HD11 LEU A 67 3.533 -8.965 -10.226 1.00 21.42 H new ATOM 0 HD12 LEU A 67 3.216 -7.953 -11.655 1.00 21.42 H new ATOM 0 HD13 LEU A 67 4.554 -9.126 -11.675 1.00 21.42 H new ATOM 0 HD21 LEU A 67 5.476 -8.497 -8.736 1.00 34.43 H new ATOM 0 HD22 LEU A 67 6.653 -8.621 -10.065 1.00 34.43 H new ATOM 0 HD23 LEU A 67 6.580 -7.143 -9.077 1.00 34.43 H new ATOM 1114 N ASP A 68 6.555 -3.893 -13.156 1.00 1.15 N ATOM 1115 CA ASP A 68 7.072 -3.146 -14.315 1.00 60.22 C ATOM 1116 C ASP A 68 8.197 -2.174 -13.890 1.00 24.22 C ATOM 1117 O ASP A 68 9.243 -2.103 -14.541 1.00 72.12 O ATOM 1118 CB ASP A 68 5.893 -2.369 -14.982 1.00 3.25 C ATOM 1119 CG ASP A 68 6.313 -1.462 -16.158 1.00 22.11 C ATOM 1120 OD1 ASP A 68 6.372 -1.945 -17.309 1.00 34.32 O ATOM 1121 OD2 ASP A 68 6.566 -0.254 -15.935 1.00 43.01 O ATOM 0 H ASP A 68 5.573 -3.698 -12.959 1.00 1.15 H new ATOM 0 HA ASP A 68 7.500 -3.846 -15.033 1.00 60.22 H new ATOM 0 HB2 ASP A 68 5.156 -3.088 -15.339 1.00 3.25 H new ATOM 0 HB3 ASP A 68 5.402 -1.758 -14.225 1.00 3.25 H new ATOM 1126 N SER A 69 7.985 -1.465 -12.763 1.00 0.33 N ATOM 1127 CA SER A 69 8.912 -0.416 -12.276 1.00 31.32 C ATOM 1128 C SER A 69 10.055 -1.004 -11.417 1.00 62.21 C ATOM 1129 O SER A 69 11.111 -0.377 -11.276 1.00 23.30 O ATOM 1130 CB SER A 69 8.126 0.652 -11.470 1.00 41.25 C ATOM 1131 OG SER A 69 7.474 0.084 -10.343 1.00 2.40 O ATOM 0 H SER A 69 7.170 -1.600 -12.165 1.00 0.33 H new ATOM 0 HA SER A 69 9.370 0.051 -13.148 1.00 31.32 H new ATOM 0 HB2 SER A 69 8.809 1.434 -11.139 1.00 41.25 H new ATOM 0 HB3 SER A 69 7.388 1.126 -12.117 1.00 41.25 H new ATOM 0 HG SER A 69 6.990 0.784 -9.858 1.00 2.40 H new ATOM 1137 N GLY A 70 9.829 -2.207 -10.859 1.00 40.12 N ATOM 1138 CA GLY A 70 10.773 -2.843 -9.928 1.00 54.25 C ATOM 1139 C GLY A 70 10.847 -2.106 -8.588 1.00 11.45 C ATOM 1140 O GLY A 70 11.914 -2.034 -7.969 1.00 21.25 O ATOM 0 H GLY A 70 8.992 -2.761 -11.040 1.00 40.12 H new ATOM 0 HA2 GLY A 70 10.471 -3.876 -9.756 1.00 54.25 H new ATOM 0 HA3 GLY A 70 11.764 -2.871 -10.381 1.00 54.25 H new ATOM 1144 N ALA A 71 9.702 -1.538 -8.158 1.00 34.23 N ATOM 1145 CA ALA A 71 9.593 -0.767 -6.894 1.00 54.41 C ATOM 1146 C ALA A 71 9.296 -1.699 -5.701 1.00 63.21 C ATOM 1147 O ALA A 71 9.216 -2.922 -5.867 1.00 34.45 O ATOM 1148 CB ALA A 71 8.499 0.315 -7.039 1.00 40.04 C ATOM 0 H ALA A 71 8.824 -1.599 -8.674 1.00 34.23 H new ATOM 0 HA ALA A 71 10.547 -0.279 -6.696 1.00 54.41 H new ATOM 0 HB1 ALA A 71 8.421 0.880 -6.110 1.00 40.04 H new ATOM 0 HB2 ALA A 71 8.761 0.990 -7.853 1.00 40.04 H new ATOM 0 HB3 ALA A 71 7.543 -0.161 -7.256 1.00 40.04 H new ATOM 1154 N LYS A 72 9.149 -1.122 -4.492 1.00 54.42 N ATOM 1155 CA LYS A 72 8.693 -1.884 -3.295 1.00 14.12 C ATOM 1156 C LYS A 72 7.183 -1.663 -3.115 1.00 53.41 C ATOM 1157 O LYS A 72 6.693 -0.562 -3.361 1.00 12.41 O ATOM 1158 CB LYS A 72 9.462 -1.460 -1.998 1.00 43.52 C ATOM 1159 CG LYS A 72 10.930 -1.955 -1.889 1.00 73.30 C ATOM 1160 CD LYS A 72 11.887 -1.324 -2.915 1.00 2.41 C ATOM 1161 CE LYS A 72 12.017 0.200 -2.763 1.00 4.43 C ATOM 1162 NZ LYS A 72 12.933 0.773 -3.781 1.00 15.34 N ATOM 0 H LYS A 72 9.336 -0.136 -4.311 1.00 54.42 H new ATOM 0 HA LYS A 72 8.905 -2.941 -3.457 1.00 14.12 H new ATOM 0 HB2 LYS A 72 9.460 -0.372 -1.937 1.00 43.52 H new ATOM 0 HB3 LYS A 72 8.909 -1.829 -1.134 1.00 43.52 H new ATOM 0 HG2 LYS A 72 11.300 -1.742 -0.886 1.00 73.30 H new ATOM 0 HG3 LYS A 72 10.946 -3.038 -2.012 1.00 73.30 H new ATOM 0 HD2 LYS A 72 12.872 -1.779 -2.811 1.00 2.41 H new ATOM 0 HD3 LYS A 72 11.535 -1.554 -3.921 1.00 2.41 H new ATOM 0 HE2 LYS A 72 11.034 0.661 -2.856 1.00 4.43 H new ATOM 0 HE3 LYS A 72 12.387 0.437 -1.765 1.00 4.43 H new ATOM 0 HZ1 LYS A 72 12.932 1.810 -3.704 1.00 15.34 H new ATOM 0 HZ2 LYS A 72 13.896 0.415 -3.622 1.00 15.34 H new ATOM 0 HZ3 LYS A 72 12.613 0.496 -4.731 1.00 15.34 H new ATOM 1176 N VAL A 73 6.446 -2.713 -2.706 1.00 3.42 N ATOM 1177 CA VAL A 73 4.994 -2.615 -2.459 1.00 2.53 C ATOM 1178 C VAL A 73 4.583 -3.498 -1.268 1.00 44.33 C ATOM 1179 O VAL A 73 5.073 -4.627 -1.109 1.00 61.45 O ATOM 1180 CB VAL A 73 4.148 -2.968 -3.744 1.00 52.14 C ATOM 1181 CG1 VAL A 73 4.481 -4.377 -4.279 1.00 0.35 C ATOM 1182 CG2 VAL A 73 2.623 -2.773 -3.507 1.00 42.14 C ATOM 0 H VAL A 73 6.833 -3.642 -2.539 1.00 3.42 H new ATOM 0 HA VAL A 73 4.777 -1.576 -2.210 1.00 2.53 H new ATOM 0 HB VAL A 73 4.435 -2.260 -4.522 1.00 52.14 H new ATOM 0 HG11 VAL A 73 3.878 -4.582 -5.164 1.00 0.35 H new ATOM 0 HG12 VAL A 73 5.538 -4.426 -4.541 1.00 0.35 H new ATOM 0 HG13 VAL A 73 4.262 -5.119 -3.511 1.00 0.35 H new ATOM 0 HG21 VAL A 73 2.078 -3.027 -4.416 1.00 42.14 H new ATOM 0 HG22 VAL A 73 2.295 -3.421 -2.694 1.00 42.14 H new ATOM 0 HG23 VAL A 73 2.426 -1.734 -3.244 1.00 42.14 H new ATOM 1192 N LEU A 74 3.710 -2.940 -0.412 1.00 62.32 N ATOM 1193 CA LEU A 74 3.078 -3.660 0.695 1.00 44.44 C ATOM 1194 C LEU A 74 1.558 -3.590 0.511 1.00 32.45 C ATOM 1195 O LEU A 74 0.977 -2.503 0.517 1.00 34.01 O ATOM 1196 CB LEU A 74 3.490 -3.048 2.060 1.00 55.42 C ATOM 1197 CG LEU A 74 2.849 -3.700 3.327 1.00 51.45 C ATOM 1198 CD1 LEU A 74 3.243 -5.182 3.483 1.00 72.53 C ATOM 1199 CD2 LEU A 74 3.172 -2.883 4.599 1.00 73.43 C ATOM 0 H LEU A 74 3.423 -1.963 -0.475 1.00 62.32 H new ATOM 0 HA LEU A 74 3.406 -4.699 0.691 1.00 44.44 H new ATOM 0 HB2 LEU A 74 4.574 -3.113 2.152 1.00 55.42 H new ATOM 0 HB3 LEU A 74 3.234 -1.989 2.052 1.00 55.42 H new ATOM 0 HG LEU A 74 1.768 -3.681 3.187 1.00 51.45 H new ATOM 0 HD11 LEU A 74 2.773 -5.591 4.377 1.00 72.53 H new ATOM 0 HD12 LEU A 74 2.909 -5.741 2.609 1.00 72.53 H new ATOM 0 HD13 LEU A 74 4.326 -5.263 3.573 1.00 72.53 H new ATOM 0 HD21 LEU A 74 2.713 -3.361 5.465 1.00 73.43 H new ATOM 0 HD22 LEU A 74 4.252 -2.839 4.739 1.00 73.43 H new ATOM 0 HD23 LEU A 74 2.779 -1.872 4.492 1.00 73.43 H new ATOM 1211 N ILE A 75 0.928 -4.749 0.302 1.00 64.33 N ATOM 1212 CA ILE A 75 -0.531 -4.856 0.187 1.00 0.10 C ATOM 1213 C ILE A 75 -1.121 -5.194 1.556 1.00 32.44 C ATOM 1214 O ILE A 75 -0.744 -6.189 2.186 1.00 22.05 O ATOM 1215 CB ILE A 75 -0.953 -5.926 -0.884 1.00 21.51 C ATOM 1216 CG1 ILE A 75 -0.455 -5.491 -2.300 1.00 44.43 C ATOM 1217 CG2 ILE A 75 -2.483 -6.200 -0.881 1.00 2.13 C ATOM 1218 CD1 ILE A 75 -0.904 -4.105 -2.772 1.00 73.24 C ATOM 0 H ILE A 75 1.414 -5.641 0.208 1.00 64.33 H new ATOM 0 HA ILE A 75 -0.924 -3.897 -0.151 1.00 0.10 H new ATOM 0 HB ILE A 75 -0.475 -6.868 -0.616 1.00 21.51 H new ATOM 0 HG12 ILE A 75 0.635 -5.520 -2.305 1.00 44.43 H new ATOM 0 HG13 ILE A 75 -0.796 -6.229 -3.026 1.00 44.43 H new ATOM 0 HG21 ILE A 75 -2.720 -6.946 -1.639 1.00 2.13 H new ATOM 0 HG22 ILE A 75 -2.785 -6.570 0.099 1.00 2.13 H new ATOM 0 HG23 ILE A 75 -3.018 -5.276 -1.101 1.00 2.13 H new ATOM 0 HD11 ILE A 75 -0.500 -3.910 -3.765 1.00 73.24 H new ATOM 0 HD12 ILE A 75 -1.993 -4.068 -2.810 1.00 73.24 H new ATOM 0 HD13 ILE A 75 -0.539 -3.348 -2.077 1.00 73.24 H new ATOM 1230 N LEU A 76 -2.038 -4.334 1.997 1.00 10.11 N ATOM 1231 CA LEU A 76 -2.759 -4.465 3.257 1.00 65.34 C ATOM 1232 C LEU A 76 -4.255 -4.579 2.930 1.00 23.52 C ATOM 1233 O LEU A 76 -4.822 -3.702 2.271 1.00 41.22 O ATOM 1234 CB LEU A 76 -2.449 -3.227 4.155 1.00 1.41 C ATOM 1235 CG LEU A 76 -0.942 -3.052 4.549 1.00 65.21 C ATOM 1236 CD1 LEU A 76 -0.692 -1.751 5.339 1.00 22.00 C ATOM 1237 CD2 LEU A 76 -0.435 -4.279 5.328 1.00 34.31 C ATOM 0 H LEU A 76 -2.306 -3.503 1.470 1.00 10.11 H new ATOM 0 HA LEU A 76 -2.451 -5.353 3.808 1.00 65.34 H new ATOM 0 HB2 LEU A 76 -2.779 -2.328 3.634 1.00 1.41 H new ATOM 0 HB3 LEU A 76 -3.041 -3.302 5.067 1.00 1.41 H new ATOM 0 HG LEU A 76 -0.374 -2.973 3.622 1.00 65.21 H new ATOM 0 HD11 LEU A 76 0.366 -1.675 5.589 1.00 22.00 H new ATOM 0 HD12 LEU A 76 -0.984 -0.895 4.731 1.00 22.00 H new ATOM 0 HD13 LEU A 76 -1.281 -1.763 6.256 1.00 22.00 H new ATOM 0 HD21 LEU A 76 0.613 -4.135 5.591 1.00 34.31 H new ATOM 0 HD22 LEU A 76 -1.024 -4.402 6.237 1.00 34.31 H new ATOM 0 HD23 LEU A 76 -0.535 -5.170 4.708 1.00 34.31 H new ATOM 1249 N SER A 77 -4.874 -5.688 3.339 1.00 2.03 N ATOM 1250 CA SER A 77 -6.312 -5.927 3.143 1.00 5.33 C ATOM 1251 C SER A 77 -6.870 -6.525 4.434 1.00 14.02 C ATOM 1252 O SER A 77 -6.194 -7.340 5.080 1.00 51.22 O ATOM 1253 CB SER A 77 -6.556 -6.888 1.952 1.00 14.43 C ATOM 1254 OG SER A 77 -5.881 -6.450 0.782 1.00 40.13 O ATOM 0 H SER A 77 -4.394 -6.450 3.817 1.00 2.03 H new ATOM 0 HA SER A 77 -6.815 -4.988 2.911 1.00 5.33 H new ATOM 0 HB2 SER A 77 -6.216 -7.889 2.216 1.00 14.43 H new ATOM 0 HB3 SER A 77 -7.625 -6.957 1.752 1.00 14.43 H new ATOM 0 HG SER A 77 -6.311 -5.638 0.441 1.00 40.13 H new ATOM 1260 N SER A 78 -8.087 -6.119 4.798 1.00 43.14 N ATOM 1261 CA SER A 78 -8.751 -6.581 6.021 1.00 3.50 C ATOM 1262 C SER A 78 -9.105 -8.070 5.906 1.00 71.10 C ATOM 1263 O SER A 78 -8.984 -8.836 6.867 1.00 11.42 O ATOM 1264 CB SER A 78 -10.013 -5.735 6.267 1.00 3.34 C ATOM 1265 OG SER A 78 -9.701 -4.349 6.272 1.00 71.12 O ATOM 0 H SER A 78 -8.642 -5.459 4.253 1.00 43.14 H new ATOM 0 HA SER A 78 -8.075 -6.462 6.868 1.00 3.50 H new ATOM 0 HB2 SER A 78 -10.752 -5.943 5.493 1.00 3.34 H new ATOM 0 HB3 SER A 78 -10.463 -6.014 7.220 1.00 3.34 H new ATOM 0 HG SER A 78 -9.573 -4.039 5.351 1.00 71.12 H new ATOM 1271 N ASP A 79 -9.518 -8.466 4.701 1.00 74.02 N ATOM 1272 CA ASP A 79 -9.868 -9.853 4.408 1.00 31.31 C ATOM 1273 C ASP A 79 -8.579 -10.654 4.084 1.00 43.41 C ATOM 1274 O ASP A 79 -7.851 -10.357 3.115 1.00 43.13 O ATOM 1275 CB ASP A 79 -10.897 -9.909 3.255 1.00 60.33 C ATOM 1276 CG ASP A 79 -11.431 -11.329 3.005 1.00 42.23 C ATOM 1277 OD1 ASP A 79 -12.440 -11.726 3.625 1.00 32.22 O ATOM 1278 OD2 ASP A 79 -10.826 -12.064 2.213 1.00 33.33 O ATOM 0 H ASP A 79 -9.618 -7.836 3.905 1.00 74.02 H new ATOM 0 HA ASP A 79 -10.336 -10.312 5.279 1.00 31.31 H new ATOM 0 HB2 ASP A 79 -11.731 -9.247 3.486 1.00 60.33 H new ATOM 0 HB3 ASP A 79 -10.435 -9.533 2.342 1.00 60.33 H new ATOM 1283 N GLU A 80 -8.317 -11.667 4.920 1.00 72.20 N ATOM 1284 CA GLU A 80 -7.102 -12.502 4.843 1.00 1.12 C ATOM 1285 C GLU A 80 -7.126 -13.442 3.617 1.00 33.44 C ATOM 1286 O GLU A 80 -6.066 -13.848 3.131 1.00 22.42 O ATOM 1287 CB GLU A 80 -6.953 -13.323 6.145 1.00 12.20 C ATOM 1288 CG GLU A 80 -8.173 -14.208 6.458 1.00 4.32 C ATOM 1289 CD GLU A 80 -7.970 -15.114 7.671 1.00 32.12 C ATOM 1290 OE1 GLU A 80 -7.707 -16.317 7.486 1.00 20.14 O ATOM 1291 OE2 GLU A 80 -8.037 -14.621 8.813 1.00 30.40 O ATOM 0 H GLU A 80 -8.945 -11.936 5.677 1.00 72.20 H new ATOM 0 HA GLU A 80 -6.245 -11.839 4.727 1.00 1.12 H new ATOM 0 HB2 GLU A 80 -6.067 -13.954 6.068 1.00 12.20 H new ATOM 0 HB3 GLU A 80 -6.786 -12.640 6.978 1.00 12.20 H new ATOM 0 HG2 GLU A 80 -9.040 -13.571 6.631 1.00 4.32 H new ATOM 0 HG3 GLU A 80 -8.399 -14.824 5.587 1.00 4.32 H new ATOM 1298 N ASN A 81 -8.334 -13.766 3.114 1.00 2.20 N ATOM 1299 CA ASN A 81 -8.502 -14.652 1.939 1.00 5.42 C ATOM 1300 C ASN A 81 -8.076 -13.894 0.670 1.00 4.12 C ATOM 1301 O ASN A 81 -7.528 -14.484 -0.266 1.00 73.15 O ATOM 1302 CB ASN A 81 -9.972 -15.147 1.803 1.00 4.55 C ATOM 1303 CG ASN A 81 -10.559 -15.651 3.124 1.00 12.12 C ATOM 1304 OD1 ASN A 81 -10.472 -16.832 3.458 1.00 13.03 O ATOM 1305 ND2 ASN A 81 -11.172 -14.748 3.876 1.00 31.14 N ATOM 0 H ASN A 81 -9.213 -13.427 3.504 1.00 2.20 H new ATOM 0 HA ASN A 81 -7.872 -15.531 2.074 1.00 5.42 H new ATOM 0 HB2 ASN A 81 -10.590 -14.333 1.425 1.00 4.55 H new ATOM 0 HB3 ASN A 81 -10.013 -15.948 1.065 1.00 4.55 H new ATOM 0 HD21 ASN A 81 -11.591 -15.024 4.764 1.00 31.14 H new ATOM 0 HD22 ASN A 81 -11.225 -13.777 3.567 1.00 31.14 H new ATOM 1312 N ILE A 82 -8.311 -12.565 0.683 1.00 54.20 N ATOM 1313 CA ILE A 82 -7.840 -11.644 -0.359 1.00 54.10 C ATOM 1314 C ILE A 82 -6.311 -11.591 -0.327 1.00 44.40 C ATOM 1315 O ILE A 82 -5.691 -11.807 -1.356 1.00 3.12 O ATOM 1316 CB ILE A 82 -8.475 -10.204 -0.191 1.00 50.03 C ATOM 1317 CG1 ILE A 82 -10.004 -10.260 -0.519 1.00 22.14 C ATOM 1318 CG2 ILE A 82 -7.745 -9.128 -1.047 1.00 62.30 C ATOM 1319 CD1 ILE A 82 -10.753 -8.959 -0.324 1.00 13.51 C ATOM 0 H ILE A 82 -8.837 -12.103 1.425 1.00 54.20 H new ATOM 0 HA ILE A 82 -8.163 -12.013 -1.333 1.00 54.10 H new ATOM 0 HB ILE A 82 -8.347 -9.899 0.847 1.00 50.03 H new ATOM 0 HG12 ILE A 82 -10.126 -10.579 -1.554 1.00 22.14 H new ATOM 0 HG13 ILE A 82 -10.466 -11.024 0.107 1.00 22.14 H new ATOM 0 HG21 ILE A 82 -8.220 -8.159 -0.895 1.00 62.30 H new ATOM 0 HG22 ILE A 82 -6.699 -9.071 -0.745 1.00 62.30 H new ATOM 0 HG23 ILE A 82 -7.804 -9.400 -2.101 1.00 62.30 H new ATOM 0 HD11 ILE A 82 -11.803 -9.102 -0.577 1.00 13.51 H new ATOM 0 HD12 ILE A 82 -10.670 -8.644 0.716 1.00 13.51 H new ATOM 0 HD13 ILE A 82 -10.325 -8.193 -0.970 1.00 13.51 H new ATOM 1331 N ILE A 83 -5.718 -11.378 0.875 1.00 63.54 N ATOM 1332 CA ILE A 83 -4.237 -11.387 1.055 1.00 25.41 C ATOM 1333 C ILE A 83 -3.606 -12.684 0.479 1.00 73.30 C ATOM 1334 O ILE A 83 -2.624 -12.625 -0.276 1.00 2.31 O ATOM 1335 CB ILE A 83 -3.839 -11.195 2.577 1.00 43.35 C ATOM 1336 CG1 ILE A 83 -4.167 -9.745 3.045 1.00 15.44 C ATOM 1337 CG2 ILE A 83 -2.352 -11.536 2.865 1.00 15.31 C ATOM 1338 CD1 ILE A 83 -3.378 -8.642 2.330 1.00 62.25 C ATOM 0 H ILE A 83 -6.238 -11.198 1.734 1.00 63.54 H new ATOM 0 HA ILE A 83 -3.837 -10.542 0.495 1.00 25.41 H new ATOM 0 HB ILE A 83 -4.437 -11.905 3.149 1.00 43.35 H new ATOM 0 HG12 ILE A 83 -5.232 -9.563 2.898 1.00 15.44 H new ATOM 0 HG13 ILE A 83 -3.976 -9.672 4.116 1.00 15.44 H new ATOM 0 HG21 ILE A 83 -2.142 -11.384 3.924 1.00 15.31 H new ATOM 0 HG22 ILE A 83 -2.160 -12.576 2.602 1.00 15.31 H new ATOM 0 HG23 ILE A 83 -1.708 -10.887 2.271 1.00 15.31 H new ATOM 0 HD11 ILE A 83 -3.675 -7.669 2.723 1.00 62.25 H new ATOM 0 HD12 ILE A 83 -2.311 -8.791 2.497 1.00 62.25 H new ATOM 0 HD13 ILE A 83 -3.586 -8.680 1.261 1.00 62.25 H new ATOM 1350 N GLU A 84 -4.239 -13.831 0.775 1.00 23.41 N ATOM 1351 CA GLU A 84 -3.759 -15.157 0.346 1.00 64.53 C ATOM 1352 C GLU A 84 -3.912 -15.346 -1.186 1.00 70.23 C ATOM 1353 O GLU A 84 -3.055 -15.971 -1.840 1.00 20.52 O ATOM 1354 CB GLU A 84 -4.517 -16.253 1.146 1.00 61.12 C ATOM 1355 CG GLU A 84 -3.993 -17.693 0.939 1.00 24.15 C ATOM 1356 CD GLU A 84 -4.404 -18.668 2.057 1.00 25.00 C ATOM 1357 OE1 GLU A 84 -5.338 -19.470 1.863 1.00 31.21 O ATOM 1358 OE2 GLU A 84 -3.773 -18.636 3.136 1.00 54.01 O ATOM 0 H GLU A 84 -5.100 -13.866 1.320 1.00 23.41 H new ATOM 0 HA GLU A 84 -2.693 -15.242 0.559 1.00 64.53 H new ATOM 0 HB2 GLU A 84 -4.461 -16.011 2.207 1.00 61.12 H new ATOM 0 HB3 GLU A 84 -5.570 -16.222 0.867 1.00 61.12 H new ATOM 0 HG2 GLU A 84 -4.362 -18.071 -0.014 1.00 24.15 H new ATOM 0 HG3 GLU A 84 -2.905 -17.668 0.872 1.00 24.15 H new ATOM 1365 N SER A 85 -4.987 -14.762 -1.755 1.00 13.45 N ATOM 1366 CA SER A 85 -5.235 -14.766 -3.214 1.00 24.21 C ATOM 1367 C SER A 85 -4.193 -13.883 -3.931 1.00 73.22 C ATOM 1368 O SER A 85 -3.728 -14.214 -5.022 1.00 62.33 O ATOM 1369 CB SER A 85 -6.674 -14.274 -3.523 1.00 52.41 C ATOM 1370 OG SER A 85 -6.960 -14.309 -4.919 1.00 3.34 O ATOM 0 H SER A 85 -5.706 -14.276 -1.219 1.00 13.45 H new ATOM 0 HA SER A 85 -5.139 -15.787 -3.583 1.00 24.21 H new ATOM 0 HB2 SER A 85 -7.393 -14.896 -2.990 1.00 52.41 H new ATOM 0 HB3 SER A 85 -6.797 -13.256 -3.153 1.00 52.41 H new ATOM 0 HG SER A 85 -7.875 -13.993 -5.074 1.00 3.34 H new ATOM 1376 N ILE A 86 -3.814 -12.769 -3.288 1.00 71.02 N ATOM 1377 CA ILE A 86 -2.793 -11.844 -3.815 1.00 3.34 C ATOM 1378 C ILE A 86 -1.395 -12.502 -3.759 1.00 52.44 C ATOM 1379 O ILE A 86 -0.541 -12.206 -4.587 1.00 62.54 O ATOM 1380 CB ILE A 86 -2.821 -10.457 -3.045 1.00 23.45 C ATOM 1381 CG1 ILE A 86 -4.223 -9.768 -3.182 1.00 0.31 C ATOM 1382 CG2 ILE A 86 -1.698 -9.496 -3.504 1.00 12.53 C ATOM 1383 CD1 ILE A 86 -4.717 -9.530 -4.608 1.00 15.13 C ATOM 0 H ILE A 86 -4.204 -12.482 -2.390 1.00 71.02 H new ATOM 0 HA ILE A 86 -3.024 -11.632 -4.859 1.00 3.34 H new ATOM 0 HB ILE A 86 -2.639 -10.682 -1.994 1.00 23.45 H new ATOM 0 HG12 ILE A 86 -4.959 -10.381 -2.661 1.00 0.31 H new ATOM 0 HG13 ILE A 86 -4.186 -8.808 -2.667 1.00 0.31 H new ATOM 0 HG21 ILE A 86 -1.766 -8.563 -2.944 1.00 12.53 H new ATOM 0 HG22 ILE A 86 -0.727 -9.958 -3.324 1.00 12.53 H new ATOM 0 HG23 ILE A 86 -1.809 -9.289 -4.568 1.00 12.53 H new ATOM 0 HD11 ILE A 86 -5.695 -9.049 -4.579 1.00 15.13 H new ATOM 0 HD12 ILE A 86 -4.012 -8.887 -5.135 1.00 15.13 H new ATOM 0 HD13 ILE A 86 -4.797 -10.484 -5.129 1.00 15.13 H new ATOM 1395 N ARG A 87 -1.196 -13.427 -2.795 1.00 32.25 N ATOM 1396 CA ARG A 87 0.052 -14.212 -2.692 1.00 55.24 C ATOM 1397 C ARG A 87 0.174 -15.247 -3.828 1.00 43.43 C ATOM 1398 O ARG A 87 1.257 -15.405 -4.405 1.00 32.44 O ATOM 1399 CB ARG A 87 0.162 -14.922 -1.316 1.00 63.32 C ATOM 1400 CG ARG A 87 0.342 -13.962 -0.125 1.00 2.34 C ATOM 1401 CD ARG A 87 0.766 -14.673 1.171 1.00 55.04 C ATOM 1402 NE ARG A 87 -0.229 -15.656 1.651 1.00 53.03 N ATOM 1403 CZ ARG A 87 -0.924 -15.562 2.805 1.00 33.31 C ATOM 1404 NH1 ARG A 87 -0.765 -14.527 3.625 1.00 33.13 N ATOM 1405 NH2 ARG A 87 -1.751 -16.535 3.156 1.00 4.03 N ATOM 0 H ARG A 87 -1.885 -13.648 -2.076 1.00 32.25 H new ATOM 0 HA ARG A 87 0.875 -13.504 -2.787 1.00 55.24 H new ATOM 0 HB2 ARG A 87 -0.735 -15.519 -1.155 1.00 63.32 H new ATOM 0 HB3 ARG A 87 1.005 -15.613 -1.342 1.00 63.32 H new ATOM 0 HG2 ARG A 87 1.091 -13.212 -0.382 1.00 2.34 H new ATOM 0 HG3 ARG A 87 -0.594 -13.431 0.050 1.00 2.34 H new ATOM 0 HD2 ARG A 87 1.716 -15.180 1.005 1.00 55.04 H new ATOM 0 HD3 ARG A 87 0.934 -13.927 1.948 1.00 55.04 H new ATOM 0 HE ARG A 87 -0.405 -16.471 1.063 1.00 53.03 H new ATOM 0 HH11 ARG A 87 -0.108 -13.784 3.387 1.00 33.13 H new ATOM 0 HH12 ARG A 87 -1.300 -14.476 4.492 1.00 33.13 H new ATOM 0 HH21 ARG A 87 -1.861 -17.352 2.555 1.00 4.03 H new ATOM 0 HH22 ARG A 87 -2.278 -16.467 4.027 1.00 4.03 H new ATOM 1419 N LYS A 88 -0.926 -15.969 -4.137 1.00 3.54 N ATOM 1420 CA LYS A 88 -0.904 -17.017 -5.193 1.00 43.44 C ATOM 1421 C LYS A 88 -0.720 -16.390 -6.594 1.00 72.52 C ATOM 1422 O LYS A 88 -0.001 -16.940 -7.438 1.00 61.12 O ATOM 1423 CB LYS A 88 -2.169 -17.930 -5.145 1.00 23.21 C ATOM 1424 CG LYS A 88 -3.499 -17.269 -5.556 1.00 43.34 C ATOM 1425 CD LYS A 88 -4.727 -18.216 -5.536 1.00 2.02 C ATOM 1426 CE LYS A 88 -4.722 -19.298 -6.644 1.00 31.23 C ATOM 1427 NZ LYS A 88 -3.726 -20.380 -6.403 1.00 12.43 N ATOM 0 H LYS A 88 -1.830 -15.851 -3.680 1.00 3.54 H new ATOM 0 HA LYS A 88 -0.044 -17.656 -4.991 1.00 43.44 H new ATOM 0 HB2 LYS A 88 -1.997 -18.788 -5.795 1.00 23.21 H new ATOM 0 HB3 LYS A 88 -2.276 -18.314 -4.131 1.00 23.21 H new ATOM 0 HG2 LYS A 88 -3.694 -16.430 -4.888 1.00 43.34 H new ATOM 0 HG3 LYS A 88 -3.390 -16.859 -6.560 1.00 43.34 H new ATOM 0 HD2 LYS A 88 -4.774 -18.709 -4.565 1.00 2.02 H new ATOM 0 HD3 LYS A 88 -5.633 -17.618 -5.634 1.00 2.02 H new ATOM 0 HE2 LYS A 88 -5.716 -19.738 -6.718 1.00 31.23 H new ATOM 0 HE3 LYS A 88 -4.511 -18.826 -7.603 1.00 31.23 H new ATOM 0 HZ1 LYS A 88 -4.167 -21.304 -6.584 1.00 12.43 H new ATOM 0 HZ2 LYS A 88 -2.914 -20.253 -7.040 1.00 12.43 H new ATOM 0 HZ3 LYS A 88 -3.401 -20.339 -5.416 1.00 12.43 H new ATOM 1441 N GLN A 89 -1.375 -15.237 -6.826 1.00 23.10 N ATOM 1442 CA GLN A 89 -1.263 -14.482 -8.085 1.00 75.22 C ATOM 1443 C GLN A 89 0.102 -13.772 -8.188 1.00 30.33 C ATOM 1444 O GLN A 89 0.695 -13.703 -9.269 1.00 51.24 O ATOM 1445 CB GLN A 89 -2.417 -13.445 -8.179 1.00 54.41 C ATOM 1446 CG GLN A 89 -3.827 -14.059 -8.283 1.00 22.01 C ATOM 1447 CD GLN A 89 -4.944 -13.012 -8.201 1.00 70.34 C ATOM 1448 OE1 GLN A 89 -5.359 -12.441 -9.207 1.00 50.15 O ATOM 1449 NE2 GLN A 89 -5.468 -12.785 -7.006 1.00 70.33 N ATOM 0 H GLN A 89 -1.997 -14.803 -6.144 1.00 23.10 H new ATOM 0 HA GLN A 89 -1.339 -15.184 -8.916 1.00 75.22 H new ATOM 0 HB2 GLN A 89 -2.380 -12.800 -7.301 1.00 54.41 H new ATOM 0 HB3 GLN A 89 -2.247 -12.810 -9.048 1.00 54.41 H new ATOM 0 HG2 GLN A 89 -3.913 -14.601 -9.225 1.00 22.01 H new ATOM 0 HG3 GLN A 89 -3.960 -14.787 -7.483 1.00 22.01 H new ATOM 0 HE21 GLN A 89 -5.103 -13.273 -6.188 1.00 70.33 H new ATOM 0 HE22 GLN A 89 -6.236 -12.122 -6.904 1.00 70.33 H new ATOM 1458 N TYR A 90 0.579 -13.228 -7.051 1.00 23.21 N ATOM 1459 CA TYR A 90 1.818 -12.428 -6.982 1.00 2.32 C ATOM 1460 C TYR A 90 2.648 -12.869 -5.748 1.00 42.13 C ATOM 1461 O TYR A 90 2.371 -12.431 -4.629 1.00 1.11 O ATOM 1462 CB TYR A 90 1.483 -10.904 -6.898 1.00 62.15 C ATOM 1463 CG TYR A 90 0.483 -10.403 -7.959 1.00 24.32 C ATOM 1464 CD1 TYR A 90 0.881 -10.184 -9.278 1.00 73.34 C ATOM 1465 CD2 TYR A 90 -0.864 -10.169 -7.640 1.00 21.32 C ATOM 1466 CE1 TYR A 90 -0.015 -9.758 -10.238 1.00 65.54 C ATOM 1467 CE2 TYR A 90 -1.761 -9.740 -8.600 1.00 51.22 C ATOM 1468 CZ TYR A 90 -1.329 -9.540 -9.895 1.00 41.34 C ATOM 1469 OH TYR A 90 -2.218 -9.123 -10.854 1.00 71.24 O ATOM 0 H TYR A 90 0.113 -13.332 -6.150 1.00 23.21 H new ATOM 0 HA TYR A 90 2.402 -12.596 -7.887 1.00 2.32 H new ATOM 0 HB2 TYR A 90 1.080 -10.689 -5.909 1.00 62.15 H new ATOM 0 HB3 TYR A 90 2.409 -10.337 -6.995 1.00 62.15 H new ATOM 0 HD1 TYR A 90 1.912 -10.351 -9.554 1.00 73.34 H new ATOM 0 HD2 TYR A 90 -1.205 -10.327 -6.627 1.00 21.32 H new ATOM 0 HE1 TYR A 90 0.314 -9.597 -11.254 1.00 65.54 H new ATOM 0 HE2 TYR A 90 -2.794 -9.562 -8.338 1.00 51.22 H new ATOM 0 HH TYR A 90 -1.943 -9.471 -11.728 1.00 71.24 H new ATOM 1479 N PRO A 91 3.634 -13.804 -5.909 1.00 61.32 N ATOM 1480 CA PRO A 91 4.537 -14.204 -4.796 1.00 3.12 C ATOM 1481 C PRO A 91 5.586 -13.114 -4.451 1.00 74.14 C ATOM 1482 O PRO A 91 6.136 -13.103 -3.344 1.00 10.34 O ATOM 1483 CB PRO A 91 5.201 -15.494 -5.339 1.00 60.43 C ATOM 1484 CG PRO A 91 5.182 -15.337 -6.830 1.00 51.13 C ATOM 1485 CD PRO A 91 3.908 -14.585 -7.148 1.00 22.50 C ATOM 0 HA PRO A 91 4.004 -14.353 -3.857 1.00 3.12 H new ATOM 0 HB2 PRO A 91 6.219 -15.602 -4.966 1.00 60.43 H new ATOM 0 HB3 PRO A 91 4.652 -16.383 -5.028 1.00 60.43 H new ATOM 0 HG2 PRO A 91 6.057 -14.788 -7.177 1.00 51.13 H new ATOM 0 HG3 PRO A 91 5.198 -16.308 -7.326 1.00 51.13 H new ATOM 0 HD2 PRO A 91 4.034 -13.932 -8.012 1.00 22.50 H new ATOM 0 HD3 PRO A 91 3.089 -15.266 -7.380 1.00 22.50 H new ATOM 1493 N LYS A 92 5.866 -12.220 -5.425 1.00 4.31 N ATOM 1494 CA LYS A 92 6.887 -11.154 -5.302 1.00 25.22 C ATOM 1495 C LYS A 92 6.500 -10.060 -4.278 1.00 42.11 C ATOM 1496 O LYS A 92 7.379 -9.463 -3.637 1.00 64.44 O ATOM 1497 CB LYS A 92 7.127 -10.495 -6.697 1.00 62.41 C ATOM 1498 CG LYS A 92 7.471 -11.449 -7.879 1.00 54.21 C ATOM 1499 CD LYS A 92 8.918 -12.015 -7.883 1.00 33.35 C ATOM 1500 CE LYS A 92 9.143 -13.219 -6.952 1.00 12.00 C ATOM 1501 NZ LYS A 92 10.523 -13.760 -7.098 1.00 32.12 N ATOM 0 H LYS A 92 5.387 -12.217 -6.325 1.00 4.31 H new ATOM 0 HA LYS A 92 7.798 -11.628 -4.937 1.00 25.22 H new ATOM 0 HB2 LYS A 92 6.232 -9.933 -6.965 1.00 62.41 H new ATOM 0 HB3 LYS A 92 7.938 -9.774 -6.596 1.00 62.41 H new ATOM 0 HG2 LYS A 92 6.772 -12.286 -7.863 1.00 54.21 H new ATOM 0 HG3 LYS A 92 7.306 -10.914 -8.814 1.00 54.21 H new ATOM 0 HD2 LYS A 92 9.176 -12.308 -8.901 1.00 33.35 H new ATOM 0 HD3 LYS A 92 9.605 -11.219 -7.597 1.00 33.35 H new ATOM 0 HE2 LYS A 92 8.974 -12.919 -5.918 1.00 12.00 H new ATOM 0 HE3 LYS A 92 8.417 -14.000 -7.180 1.00 12.00 H new ATOM 0 HZ1 LYS A 92 10.647 -14.571 -6.459 1.00 32.12 H new ATOM 0 HZ2 LYS A 92 10.673 -14.067 -8.080 1.00 32.12 H new ATOM 0 HZ3 LYS A 92 11.213 -13.020 -6.857 1.00 32.12 H new ATOM 1515 N VAL A 93 5.193 -9.797 -4.141 1.00 60.21 N ATOM 1516 CA VAL A 93 4.682 -8.688 -3.306 1.00 65.23 C ATOM 1517 C VAL A 93 4.711 -9.046 -1.802 1.00 25.21 C ATOM 1518 O VAL A 93 4.398 -10.184 -1.414 1.00 63.43 O ATOM 1519 CB VAL A 93 3.222 -8.267 -3.740 1.00 41.51 C ATOM 1520 CG1 VAL A 93 2.233 -9.447 -3.700 1.00 53.53 C ATOM 1521 CG2 VAL A 93 2.689 -7.094 -2.888 1.00 31.40 C ATOM 0 H VAL A 93 4.461 -10.339 -4.600 1.00 60.21 H new ATOM 0 HA VAL A 93 5.347 -7.839 -3.465 1.00 65.23 H new ATOM 0 HB VAL A 93 3.299 -7.935 -4.775 1.00 41.51 H new ATOM 0 HG11 VAL A 93 1.245 -9.104 -4.007 1.00 53.53 H new ATOM 0 HG12 VAL A 93 2.573 -10.229 -4.379 1.00 53.53 H new ATOM 0 HG13 VAL A 93 2.181 -9.844 -2.686 1.00 53.53 H new ATOM 0 HG21 VAL A 93 1.683 -6.833 -3.216 1.00 31.40 H new ATOM 0 HG22 VAL A 93 2.663 -7.389 -1.839 1.00 31.40 H new ATOM 0 HG23 VAL A 93 3.344 -6.231 -3.007 1.00 31.40 H new ATOM 1531 N GLU A 94 5.132 -8.071 -0.969 1.00 62.20 N ATOM 1532 CA GLU A 94 4.936 -8.135 0.483 1.00 31.24 C ATOM 1533 C GLU A 94 3.457 -7.900 0.798 1.00 33.52 C ATOM 1534 O GLU A 94 2.917 -6.847 0.500 1.00 72.53 O ATOM 1535 CB GLU A 94 5.845 -7.094 1.215 1.00 31.24 C ATOM 1536 CG GLU A 94 7.259 -7.601 1.575 1.00 61.15 C ATOM 1537 CD GLU A 94 7.275 -8.617 2.743 1.00 72.02 C ATOM 1538 OE1 GLU A 94 6.725 -9.724 2.581 1.00 34.53 O ATOM 1539 OE2 GLU A 94 7.876 -8.337 3.807 1.00 11.43 O ATOM 0 H GLU A 94 5.612 -7.228 -1.286 1.00 62.20 H new ATOM 0 HA GLU A 94 5.224 -9.122 0.845 1.00 31.24 H new ATOM 0 HB2 GLU A 94 5.942 -6.211 0.583 1.00 31.24 H new ATOM 0 HB3 GLU A 94 5.345 -6.778 2.130 1.00 31.24 H new ATOM 0 HG2 GLU A 94 7.704 -8.065 0.695 1.00 61.15 H new ATOM 0 HG3 GLU A 94 7.886 -6.749 1.838 1.00 61.15 H new ATOM 1546 N THR A 95 2.810 -8.918 1.359 1.00 61.24 N ATOM 1547 CA THR A 95 1.392 -8.873 1.744 1.00 53.11 C ATOM 1548 C THR A 95 1.273 -9.060 3.262 1.00 53.24 C ATOM 1549 O THR A 95 2.158 -9.666 3.891 1.00 62.40 O ATOM 1550 CB THR A 95 0.590 -9.977 0.988 1.00 51.41 C ATOM 1551 OG1 THR A 95 1.267 -11.234 1.120 1.00 43.42 O ATOM 1552 CG2 THR A 95 0.413 -9.650 -0.506 1.00 0.41 C ATOM 0 H THR A 95 3.257 -9.812 1.564 1.00 61.24 H new ATOM 0 HA THR A 95 0.972 -7.905 1.471 1.00 53.11 H new ATOM 0 HB THR A 95 -0.402 -10.026 1.436 1.00 51.41 H new ATOM 0 HG1 THR A 95 0.836 -11.766 1.821 1.00 43.42 H new ATOM 0 HG21 THR A 95 -0.151 -10.448 -0.989 1.00 0.41 H new ATOM 0 HG22 THR A 95 -0.127 -8.709 -0.611 1.00 0.41 H new ATOM 0 HG23 THR A 95 1.392 -9.561 -0.977 1.00 0.41 H new ATOM 1560 N ARG A 96 0.197 -8.511 3.839 1.00 51.32 N ATOM 1561 CA ARG A 96 -0.075 -8.593 5.279 1.00 24.12 C ATOM 1562 C ARG A 96 -1.550 -8.269 5.542 1.00 24.50 C ATOM 1563 O ARG A 96 -2.084 -7.305 4.974 1.00 50.45 O ATOM 1564 CB ARG A 96 0.859 -7.617 6.040 1.00 4.33 C ATOM 1565 CG ARG A 96 0.599 -7.484 7.558 1.00 33.12 C ATOM 1566 CD ARG A 96 1.601 -6.529 8.216 1.00 0.04 C ATOM 1567 NE ARG A 96 1.348 -6.308 9.649 1.00 62.13 N ATOM 1568 CZ ARG A 96 2.296 -5.959 10.538 1.00 32.11 C ATOM 1569 NH1 ARG A 96 3.565 -5.805 10.153 1.00 22.44 N ATOM 1570 NH2 ARG A 96 1.972 -5.738 11.801 1.00 24.10 N ATOM 0 H ARG A 96 -0.512 -7.995 3.318 1.00 51.32 H new ATOM 0 HA ARG A 96 0.122 -9.603 5.638 1.00 24.12 H new ATOM 0 HB2 ARG A 96 1.889 -7.942 5.894 1.00 4.33 H new ATOM 0 HB3 ARG A 96 0.769 -6.630 5.587 1.00 4.33 H new ATOM 0 HG2 ARG A 96 -0.415 -7.121 7.724 1.00 33.12 H new ATOM 0 HG3 ARG A 96 0.667 -8.465 8.028 1.00 33.12 H new ATOM 0 HD2 ARG A 96 2.607 -6.928 8.090 1.00 0.04 H new ATOM 0 HD3 ARG A 96 1.571 -5.570 7.698 1.00 0.04 H new ATOM 0 HE ARG A 96 0.394 -6.427 9.990 1.00 62.13 H new ATOM 0 HH11 ARG A 96 3.823 -5.952 9.177 1.00 22.44 H new ATOM 0 HH12 ARG A 96 4.276 -5.540 10.835 1.00 22.44 H new ATOM 0 HH21 ARG A 96 1.002 -5.832 12.103 1.00 24.10 H new ATOM 0 HH22 ARG A 96 2.692 -5.474 12.473 1.00 24.10 H new ATOM 1584 N ARG A 97 -2.202 -9.078 6.396 1.00 4.43 N ATOM 1585 CA ARG A 97 -3.564 -8.797 6.865 1.00 24.14 C ATOM 1586 C ARG A 97 -3.533 -7.553 7.778 1.00 12.34 C ATOM 1587 O ARG A 97 -2.758 -7.508 8.747 1.00 44.01 O ATOM 1588 CB ARG A 97 -4.159 -9.999 7.652 1.00 70.40 C ATOM 1589 CG ARG A 97 -5.674 -9.847 7.983 1.00 64.54 C ATOM 1590 CD ARG A 97 -6.113 -10.627 9.237 1.00 2.21 C ATOM 1591 NE ARG A 97 -5.616 -9.993 10.477 1.00 60.42 N ATOM 1592 CZ ARG A 97 -6.138 -10.182 11.704 1.00 75.41 C ATOM 1593 NH1 ARG A 97 -7.181 -10.992 11.886 1.00 1.23 N ATOM 1594 NH2 ARG A 97 -5.634 -9.531 12.739 1.00 22.11 N ATOM 0 H ARG A 97 -1.802 -9.936 6.775 1.00 4.43 H new ATOM 0 HA ARG A 97 -4.196 -8.620 5.995 1.00 24.14 H new ATOM 0 HB2 ARG A 97 -4.013 -10.909 7.071 1.00 70.40 H new ATOM 0 HB3 ARG A 97 -3.604 -10.122 8.582 1.00 70.40 H new ATOM 0 HG2 ARG A 97 -5.902 -8.791 8.124 1.00 64.54 H new ATOM 0 HG3 ARG A 97 -6.260 -10.188 7.130 1.00 64.54 H new ATOM 0 HD2 ARG A 97 -7.201 -10.684 9.268 1.00 2.21 H new ATOM 0 HD3 ARG A 97 -5.742 -11.650 9.178 1.00 2.21 H new ATOM 0 HE ARG A 97 -4.817 -9.364 10.397 1.00 60.42 H new ATOM 0 HH11 ARG A 97 -7.594 -11.478 11.090 1.00 1.23 H new ATOM 0 HH12 ARG A 97 -7.566 -11.126 12.821 1.00 1.23 H new ATOM 0 HH21 ARG A 97 -4.853 -8.889 12.606 1.00 22.11 H new ATOM 0 HH22 ARG A 97 -6.026 -9.671 13.670 1.00 22.11 H new ATOM 1608 N ALA A 98 -4.365 -6.558 7.456 1.00 41.21 N ATOM 1609 CA ALA A 98 -4.497 -5.335 8.251 1.00 42.34 C ATOM 1610 C ALA A 98 -5.965 -4.909 8.221 1.00 14.24 C ATOM 1611 O ALA A 98 -6.466 -4.454 7.191 1.00 65.32 O ATOM 1612 CB ALA A 98 -3.578 -4.241 7.699 1.00 62.12 C ATOM 0 H ALA A 98 -4.968 -6.579 6.633 1.00 41.21 H new ATOM 0 HA ALA A 98 -4.195 -5.512 9.283 1.00 42.34 H new ATOM 0 HB1 ALA A 98 -3.686 -3.338 8.299 1.00 62.12 H new ATOM 0 HB2 ALA A 98 -2.543 -4.581 7.738 1.00 62.12 H new ATOM 0 HB3 ALA A 98 -3.850 -4.025 6.666 1.00 62.12 H new ATOM 1618 N GLN A 99 -6.649 -5.115 9.348 1.00 30.11 N ATOM 1619 CA GLN A 99 -8.097 -4.860 9.487 1.00 15.41 C ATOM 1620 C GLN A 99 -8.322 -3.512 10.168 1.00 0.12 C ATOM 1621 O GLN A 99 -9.057 -2.646 9.665 1.00 33.53 O ATOM 1622 CB GLN A 99 -8.752 -6.007 10.308 1.00 13.01 C ATOM 1623 CG GLN A 99 -8.560 -7.405 9.692 1.00 70.25 C ATOM 1624 CD GLN A 99 -9.226 -8.538 10.475 1.00 44.10 C ATOM 1625 OE1 GLN A 99 -9.343 -8.489 11.696 1.00 41.33 O ATOM 1626 NE2 GLN A 99 -9.680 -9.561 9.769 1.00 75.22 N ATOM 0 H GLN A 99 -6.216 -5.467 10.202 1.00 30.11 H new ATOM 0 HA GLN A 99 -8.559 -4.829 8.500 1.00 15.41 H new ATOM 0 HB2 GLN A 99 -8.334 -6.004 11.315 1.00 13.01 H new ATOM 0 HB3 GLN A 99 -9.819 -5.807 10.405 1.00 13.01 H new ATOM 0 HG2 GLN A 99 -8.957 -7.399 8.677 1.00 70.25 H new ATOM 0 HG3 GLN A 99 -7.492 -7.611 9.615 1.00 70.25 H new ATOM 0 HE21 GLN A 99 -9.567 -9.571 8.755 1.00 75.22 H new ATOM 0 HE22 GLN A 99 -10.143 -10.339 10.238 1.00 75.22 H new ATOM 1635 N ASP A 100 -7.659 -3.357 11.315 1.00 71.44 N ATOM 1636 CA ASP A 100 -7.758 -2.154 12.147 1.00 22.11 C ATOM 1637 C ASP A 100 -6.697 -1.136 11.698 1.00 22.15 C ATOM 1638 O ASP A 100 -5.631 -1.510 11.178 1.00 32.43 O ATOM 1639 CB ASP A 100 -7.595 -2.516 13.659 1.00 33.13 C ATOM 1640 CG ASP A 100 -8.129 -1.415 14.605 1.00 25.55 C ATOM 1641 OD1 ASP A 100 -7.379 -0.476 14.944 1.00 22.33 O ATOM 1642 OD2 ASP A 100 -9.319 -1.472 14.989 1.00 21.24 O ATOM 0 H ASP A 100 -7.034 -4.067 11.696 1.00 71.44 H new ATOM 0 HA ASP A 100 -8.745 -1.708 12.024 1.00 22.11 H new ATOM 0 HB2 ASP A 100 -8.121 -3.449 13.862 1.00 33.13 H new ATOM 0 HB3 ASP A 100 -6.541 -2.692 13.873 1.00 33.13 H new ATOM 1647 N LYS A 101 -7.026 0.142 11.910 1.00 14.23 N ATOM 1648 CA LYS A 101 -6.175 1.311 11.598 1.00 41.54 C ATOM 1649 C LYS A 101 -4.744 1.177 12.168 1.00 45.32 C ATOM 1650 O LYS A 101 -3.780 1.621 11.532 1.00 14.01 O ATOM 1651 CB LYS A 101 -6.876 2.577 12.158 1.00 12.40 C ATOM 1652 CG LYS A 101 -7.076 2.523 13.685 1.00 14.44 C ATOM 1653 CD LYS A 101 -7.985 3.623 14.260 1.00 63.22 C ATOM 1654 CE LYS A 101 -8.157 3.459 15.775 1.00 55.12 C ATOM 1655 NZ LYS A 101 -8.819 2.169 16.122 1.00 14.11 N ATOM 0 H LYS A 101 -7.922 0.408 12.318 1.00 14.23 H new ATOM 0 HA LYS A 101 -6.058 1.381 10.517 1.00 41.54 H new ATOM 0 HB2 LYS A 101 -6.284 3.457 11.905 1.00 12.40 H new ATOM 0 HB3 LYS A 101 -7.845 2.695 11.673 1.00 12.40 H new ATOM 0 HG2 LYS A 101 -7.495 1.552 13.947 1.00 14.44 H new ATOM 0 HG3 LYS A 101 -6.101 2.590 14.167 1.00 14.44 H new ATOM 0 HD2 LYS A 101 -7.558 4.602 14.043 1.00 63.22 H new ATOM 0 HD3 LYS A 101 -8.960 3.585 13.774 1.00 63.22 H new ATOM 0 HE2 LYS A 101 -7.181 3.508 16.259 1.00 55.12 H new ATOM 0 HE3 LYS A 101 -8.748 4.287 16.165 1.00 55.12 H new ATOM 0 HZ1 LYS A 101 -9.116 2.188 17.119 1.00 14.11 H new ATOM 0 HZ2 LYS A 101 -9.652 2.032 15.515 1.00 14.11 H new ATOM 0 HZ3 LYS A 101 -8.151 1.385 15.975 1.00 14.11 H new ATOM 1669 N GLU A 102 -4.627 0.526 13.347 1.00 14.31 N ATOM 1670 CA GLU A 102 -3.341 0.348 14.039 1.00 73.00 C ATOM 1671 C GLU A 102 -2.438 -0.627 13.271 1.00 23.45 C ATOM 1672 O GLU A 102 -1.242 -0.370 13.103 1.00 31.42 O ATOM 1673 CB GLU A 102 -3.533 -0.121 15.508 1.00 0.44 C ATOM 1674 CG GLU A 102 -4.320 -1.443 15.689 1.00 74.24 C ATOM 1675 CD GLU A 102 -4.128 -2.099 17.068 1.00 44.43 C ATOM 1676 OE1 GLU A 102 -3.355 -3.078 17.172 1.00 10.12 O ATOM 1677 OE2 GLU A 102 -4.727 -1.621 18.056 1.00 72.42 O ATOM 0 H GLU A 102 -5.419 0.113 13.839 1.00 14.31 H new ATOM 0 HA GLU A 102 -2.852 1.322 14.069 1.00 73.00 H new ATOM 0 HB2 GLU A 102 -2.550 -0.238 15.965 1.00 0.44 H new ATOM 0 HB3 GLU A 102 -4.048 0.666 16.058 1.00 0.44 H new ATOM 0 HG2 GLU A 102 -5.381 -1.247 15.535 1.00 74.24 H new ATOM 0 HG3 GLU A 102 -4.011 -2.147 14.916 1.00 74.24 H new ATOM 1684 N GLU A 103 -3.039 -1.729 12.794 1.00 11.32 N ATOM 1685 CA GLU A 103 -2.332 -2.773 12.037 1.00 1.33 C ATOM 1686 C GLU A 103 -1.762 -2.217 10.728 1.00 22.42 C ATOM 1687 O GLU A 103 -0.679 -2.618 10.307 1.00 75.10 O ATOM 1688 CB GLU A 103 -3.266 -3.968 11.716 1.00 53.41 C ATOM 1689 CG GLU A 103 -3.866 -4.684 12.940 1.00 55.23 C ATOM 1690 CD GLU A 103 -4.732 -5.895 12.542 1.00 74.32 C ATOM 1691 OE1 GLU A 103 -5.937 -5.713 12.289 1.00 43.30 O ATOM 1692 OE2 GLU A 103 -4.202 -7.027 12.451 1.00 14.34 O ATOM 0 H GLU A 103 -4.032 -1.921 12.923 1.00 11.32 H new ATOM 0 HA GLU A 103 -1.513 -3.121 12.667 1.00 1.33 H new ATOM 0 HB2 GLU A 103 -4.083 -3.611 11.089 1.00 53.41 H new ATOM 0 HB3 GLU A 103 -2.707 -4.696 11.128 1.00 53.41 H new ATOM 0 HG2 GLU A 103 -3.061 -5.016 13.595 1.00 55.23 H new ATOM 0 HG3 GLU A 103 -4.471 -3.979 13.510 1.00 55.23 H new ATOM 1699 N VAL A 104 -2.504 -1.289 10.105 1.00 32.43 N ATOM 1700 CA VAL A 104 -2.111 -0.690 8.829 1.00 34.14 C ATOM 1701 C VAL A 104 -0.918 0.268 9.027 1.00 35.44 C ATOM 1702 O VAL A 104 0.135 0.071 8.427 1.00 10.30 O ATOM 1703 CB VAL A 104 -3.298 0.091 8.161 1.00 63.02 C ATOM 1704 CG1 VAL A 104 -2.903 0.601 6.760 1.00 11.23 C ATOM 1705 CG2 VAL A 104 -4.590 -0.755 8.110 1.00 24.44 C ATOM 0 H VAL A 104 -3.388 -0.937 10.472 1.00 32.43 H new ATOM 0 HA VAL A 104 -1.822 -1.506 8.167 1.00 34.14 H new ATOM 0 HB VAL A 104 -3.511 0.958 8.787 1.00 63.02 H new ATOM 0 HG11 VAL A 104 -3.742 1.139 6.319 1.00 11.23 H new ATOM 0 HG12 VAL A 104 -2.047 1.271 6.845 1.00 11.23 H new ATOM 0 HG13 VAL A 104 -2.640 -0.245 6.125 1.00 11.23 H new ATOM 0 HG21 VAL A 104 -5.385 -0.176 7.640 1.00 24.44 H new ATOM 0 HG22 VAL A 104 -4.409 -1.660 7.531 1.00 24.44 H new ATOM 0 HG23 VAL A 104 -4.888 -1.026 9.123 1.00 24.44 H new ATOM 1715 N LYS A 105 -1.100 1.284 9.897 1.00 60.14 N ATOM 1716 CA LYS A 105 -0.109 2.374 10.081 1.00 72.22 C ATOM 1717 C LYS A 105 1.233 1.863 10.649 1.00 74.14 C ATOM 1718 O LYS A 105 2.306 2.394 10.318 1.00 61.34 O ATOM 1719 CB LYS A 105 -0.693 3.508 10.970 1.00 42.20 C ATOM 1720 CG LYS A 105 -1.058 3.104 12.417 1.00 12.42 C ATOM 1721 CD LYS A 105 -1.723 4.250 13.210 1.00 54.31 C ATOM 1722 CE LYS A 105 -2.077 3.853 14.650 1.00 60.24 C ATOM 1723 NZ LYS A 105 -2.710 4.976 15.390 1.00 53.32 N ATOM 0 H LYS A 105 -1.927 1.375 10.487 1.00 60.14 H new ATOM 0 HA LYS A 105 0.102 2.781 9.092 1.00 72.22 H new ATOM 0 HB2 LYS A 105 0.031 4.322 11.011 1.00 42.20 H new ATOM 0 HB3 LYS A 105 -1.587 3.901 10.485 1.00 42.20 H new ATOM 0 HG2 LYS A 105 -1.732 2.248 12.391 1.00 12.42 H new ATOM 0 HG3 LYS A 105 -0.156 2.784 12.938 1.00 12.42 H new ATOM 0 HD2 LYS A 105 -1.052 5.109 13.230 1.00 54.31 H new ATOM 0 HD3 LYS A 105 -2.629 4.565 12.692 1.00 54.31 H new ATOM 0 HE2 LYS A 105 -2.754 2.999 14.636 1.00 60.24 H new ATOM 0 HE3 LYS A 105 -1.174 3.536 15.172 1.00 60.24 H new ATOM 0 HZ1 LYS A 105 -2.827 4.711 16.389 1.00 53.32 H new ATOM 0 HZ2 LYS A 105 -2.106 5.820 15.324 1.00 53.32 H new ATOM 0 HZ3 LYS A 105 -3.641 5.184 14.976 1.00 53.32 H new ATOM 1737 N ASP A 106 1.160 0.843 11.511 1.00 64.14 N ATOM 1738 CA ASP A 106 2.345 0.162 12.056 1.00 71.00 C ATOM 1739 C ASP A 106 3.022 -0.718 10.995 1.00 52.34 C ATOM 1740 O ASP A 106 4.245 -0.752 10.935 1.00 73.54 O ATOM 1741 CB ASP A 106 1.947 -0.662 13.308 1.00 31.13 C ATOM 1742 CG ASP A 106 1.622 0.202 14.549 1.00 1.15 C ATOM 1743 OD1 ASP A 106 1.014 1.290 14.412 1.00 25.31 O ATOM 1744 OD2 ASP A 106 1.967 -0.205 15.673 1.00 14.22 O ATOM 0 H ASP A 106 0.277 0.464 11.853 1.00 64.14 H new ATOM 0 HA ASP A 106 3.074 0.915 12.354 1.00 71.00 H new ATOM 0 HB2 ASP A 106 1.079 -1.275 13.067 1.00 31.13 H new ATOM 0 HB3 ASP A 106 2.760 -1.345 13.555 1.00 31.13 H new ATOM 1749 N ALA A 107 2.226 -1.384 10.135 1.00 64.43 N ATOM 1750 CA ALA A 107 2.759 -2.210 9.019 1.00 13.33 C ATOM 1751 C ALA A 107 3.562 -1.344 8.042 1.00 3.12 C ATOM 1752 O ALA A 107 4.600 -1.770 7.521 1.00 63.32 O ATOM 1753 CB ALA A 107 1.619 -2.904 8.275 1.00 23.31 C ATOM 0 H ALA A 107 1.207 -1.369 10.188 1.00 64.43 H new ATOM 0 HA ALA A 107 3.418 -2.967 9.444 1.00 13.33 H new ATOM 0 HB1 ALA A 107 2.027 -3.504 7.462 1.00 23.31 H new ATOM 0 HB2 ALA A 107 1.074 -3.549 8.964 1.00 23.31 H new ATOM 0 HB3 ALA A 107 0.941 -2.154 7.868 1.00 23.31 H new ATOM 1759 N VAL A 108 3.065 -0.112 7.839 1.00 42.05 N ATOM 1760 CA VAL A 108 3.733 0.911 7.025 1.00 3.31 C ATOM 1761 C VAL A 108 5.111 1.238 7.634 1.00 50.32 C ATOM 1762 O VAL A 108 6.140 1.157 6.951 1.00 4.11 O ATOM 1763 CB VAL A 108 2.846 2.216 6.918 1.00 23.12 C ATOM 1764 CG1 VAL A 108 3.587 3.381 6.219 1.00 64.33 C ATOM 1765 CG2 VAL A 108 1.508 1.912 6.206 1.00 52.14 C ATOM 0 H VAL A 108 2.181 0.202 8.240 1.00 42.05 H new ATOM 0 HA VAL A 108 3.873 0.522 6.017 1.00 3.31 H new ATOM 0 HB VAL A 108 2.636 2.541 7.937 1.00 23.12 H new ATOM 0 HG11 VAL A 108 2.933 4.252 6.172 1.00 64.33 H new ATOM 0 HG12 VAL A 108 4.485 3.632 6.783 1.00 64.33 H new ATOM 0 HG13 VAL A 108 3.865 3.081 5.209 1.00 64.33 H new ATOM 0 HG21 VAL A 108 0.914 2.824 6.143 1.00 52.14 H new ATOM 0 HG22 VAL A 108 1.707 1.539 5.201 1.00 52.14 H new ATOM 0 HG23 VAL A 108 0.958 1.159 6.770 1.00 52.14 H new ATOM 1775 N GLU A 109 5.099 1.533 8.946 1.00 13.15 N ATOM 1776 CA GLU A 109 6.301 1.891 9.725 1.00 3.51 C ATOM 1777 C GLU A 109 7.373 0.773 9.692 1.00 63.11 C ATOM 1778 O GLU A 109 8.565 1.057 9.596 1.00 64.24 O ATOM 1779 CB GLU A 109 5.893 2.181 11.189 1.00 43.45 C ATOM 1780 CG GLU A 109 7.063 2.508 12.150 1.00 2.43 C ATOM 1781 CD GLU A 109 6.689 2.391 13.638 1.00 74.22 C ATOM 1782 OE1 GLU A 109 5.846 1.530 13.983 1.00 3.10 O ATOM 1783 OE2 GLU A 109 7.262 3.121 14.471 1.00 13.44 O ATOM 0 H GLU A 109 4.245 1.530 9.503 1.00 13.15 H new ATOM 0 HA GLU A 109 6.742 2.778 9.271 1.00 3.51 H new ATOM 0 HB2 GLU A 109 5.195 3.018 11.195 1.00 43.45 H new ATOM 0 HB3 GLU A 109 5.356 1.315 11.578 1.00 43.45 H new ATOM 0 HG2 GLU A 109 7.894 1.835 11.939 1.00 2.43 H new ATOM 0 HG3 GLU A 109 7.414 3.521 11.951 1.00 2.43 H new ATOM 1790 N GLU A 110 6.923 -0.488 9.772 1.00 2.31 N ATOM 1791 CA GLU A 110 7.804 -1.684 9.771 1.00 74.33 C ATOM 1792 C GLU A 110 8.416 -1.922 8.394 1.00 73.03 C ATOM 1793 O GLU A 110 9.571 -2.364 8.276 1.00 11.43 O ATOM 1794 CB GLU A 110 6.994 -2.924 10.189 1.00 33.24 C ATOM 1795 CG GLU A 110 6.426 -2.841 11.613 1.00 2.02 C ATOM 1796 CD GLU A 110 5.527 -4.022 11.965 1.00 5.34 C ATOM 1797 OE1 GLU A 110 4.324 -3.830 12.248 1.00 21.34 O ATOM 1798 OE2 GLU A 110 6.020 -5.163 11.951 1.00 30.42 O ATOM 0 H GLU A 110 5.931 -0.717 9.840 1.00 2.31 H new ATOM 0 HA GLU A 110 8.612 -1.508 10.481 1.00 74.33 H new ATOM 0 HB2 GLU A 110 6.172 -3.063 9.487 1.00 33.24 H new ATOM 0 HB3 GLU A 110 7.631 -3.805 10.112 1.00 33.24 H new ATOM 0 HG2 GLU A 110 7.250 -2.794 12.325 1.00 2.02 H new ATOM 0 HG3 GLU A 110 5.860 -1.916 11.719 1.00 2.02 H new ATOM 1805 N PHE A 111 7.617 -1.619 7.361 1.00 40.51 N ATOM 1806 CA PHE A 111 8.045 -1.714 5.957 1.00 52.53 C ATOM 1807 C PHE A 111 9.128 -0.652 5.667 1.00 32.21 C ATOM 1808 O PHE A 111 9.961 -0.821 4.768 1.00 43.20 O ATOM 1809 CB PHE A 111 6.817 -1.556 5.020 1.00 23.43 C ATOM 1810 CG PHE A 111 7.035 -2.040 3.583 1.00 53.04 C ATOM 1811 CD1 PHE A 111 7.161 -3.401 3.307 1.00 31.45 C ATOM 1812 CD2 PHE A 111 7.102 -1.147 2.512 1.00 55.12 C ATOM 1813 CE1 PHE A 111 7.334 -3.848 2.012 1.00 0.52 C ATOM 1814 CE2 PHE A 111 7.279 -1.598 1.216 1.00 34.14 C ATOM 1815 CZ PHE A 111 7.400 -2.948 0.969 1.00 1.01 C ATOM 0 H PHE A 111 6.655 -1.301 7.475 1.00 40.51 H new ATOM 0 HA PHE A 111 8.482 -2.695 5.769 1.00 52.53 H new ATOM 0 HB2 PHE A 111 5.978 -2.104 5.449 1.00 23.43 H new ATOM 0 HB3 PHE A 111 6.531 -0.505 4.994 1.00 23.43 H new ATOM 0 HD1 PHE A 111 7.123 -4.115 4.117 1.00 31.45 H new ATOM 0 HD2 PHE A 111 7.014 -0.087 2.698 1.00 55.12 H new ATOM 0 HE1 PHE A 111 7.418 -4.907 1.815 1.00 0.52 H new ATOM 0 HE2 PHE A 111 7.322 -0.893 0.399 1.00 34.14 H new ATOM 0 HZ PHE A 111 7.546 -3.301 -0.041 1.00 1.01 H new ATOM 1825 N LEU A 112 9.088 0.438 6.456 1.00 62.22 N ATOM 1826 CA LEU A 112 10.092 1.518 6.439 1.00 10.30 C ATOM 1827 C LEU A 112 11.338 1.166 7.290 1.00 31.44 C ATOM 1828 O LEU A 112 12.458 1.533 6.910 1.00 32.42 O ATOM 1829 CB LEU A 112 9.420 2.825 6.941 1.00 50.33 C ATOM 1830 CG LEU A 112 8.229 3.324 6.061 1.00 11.20 C ATOM 1831 CD1 LEU A 112 7.421 4.433 6.754 1.00 5.24 C ATOM 1832 CD2 LEU A 112 8.721 3.769 4.679 1.00 24.45 C ATOM 0 H LEU A 112 8.344 0.595 7.135 1.00 62.22 H new ATOM 0 HA LEU A 112 10.449 1.654 5.418 1.00 10.30 H new ATOM 0 HB2 LEU A 112 9.061 2.666 7.958 1.00 50.33 H new ATOM 0 HB3 LEU A 112 10.174 3.611 6.988 1.00 50.33 H new ATOM 0 HG LEU A 112 7.551 2.482 5.924 1.00 11.20 H new ATOM 0 HD11 LEU A 112 6.604 4.748 6.105 1.00 5.24 H new ATOM 0 HD12 LEU A 112 7.014 4.055 7.692 1.00 5.24 H new ATOM 0 HD13 LEU A 112 8.071 5.284 6.958 1.00 5.24 H new ATOM 0 HD21 LEU A 112 7.874 4.112 4.084 1.00 24.45 H new ATOM 0 HD22 LEU A 112 9.438 4.582 4.792 1.00 24.45 H new ATOM 0 HD23 LEU A 112 9.201 2.930 4.176 1.00 24.45 H new ATOM 1844 N LYS A 113 11.139 0.463 8.435 1.00 20.41 N ATOM 1845 CA LYS A 113 12.243 0.025 9.334 1.00 10.31 C ATOM 1846 C LYS A 113 13.235 -0.896 8.599 1.00 34.25 C ATOM 1847 O LYS A 113 14.455 -0.705 8.681 1.00 75.21 O ATOM 1848 CB LYS A 113 11.682 -0.740 10.583 1.00 63.11 C ATOM 1849 CG LYS A 113 10.882 0.103 11.605 1.00 3.02 C ATOM 1850 CD LYS A 113 10.405 -0.747 12.817 1.00 61.11 C ATOM 1851 CE LYS A 113 9.553 0.052 13.818 1.00 53.42 C ATOM 1852 NZ LYS A 113 10.298 1.178 14.444 1.00 14.10 N ATOM 0 H LYS A 113 10.214 0.184 8.761 1.00 20.41 H new ATOM 0 HA LYS A 113 12.761 0.927 9.658 1.00 10.31 H new ATOM 0 HB2 LYS A 113 11.040 -1.547 10.229 1.00 63.11 H new ATOM 0 HB3 LYS A 113 12.520 -1.204 11.104 1.00 63.11 H new ATOM 0 HG2 LYS A 113 11.503 0.925 11.961 1.00 3.02 H new ATOM 0 HG3 LYS A 113 10.018 0.547 11.111 1.00 3.02 H new ATOM 0 HD2 LYS A 113 9.826 -1.595 12.452 1.00 61.11 H new ATOM 0 HD3 LYS A 113 11.275 -1.153 13.333 1.00 61.11 H new ATOM 0 HE2 LYS A 113 8.674 0.444 13.307 1.00 53.42 H new ATOM 0 HE3 LYS A 113 9.195 -0.619 14.599 1.00 53.42 H new ATOM 0 HZ1 LYS A 113 9.675 1.680 15.108 1.00 14.10 H new ATOM 0 HZ2 LYS A 113 11.123 0.806 14.957 1.00 14.10 H new ATOM 0 HZ3 LYS A 113 10.618 1.836 13.705 1.00 14.10 H new ATOM 1866 N GLU A 114 12.688 -1.886 7.870 1.00 63.24 N ATOM 1867 CA GLU A 114 13.494 -2.867 7.111 1.00 65.32 C ATOM 1868 C GLU A 114 13.771 -2.340 5.687 1.00 23.01 C ATOM 1869 O GLU A 114 14.742 -2.757 5.048 1.00 71.24 O ATOM 1870 CB GLU A 114 12.758 -4.238 7.056 1.00 55.12 C ATOM 1871 CG GLU A 114 12.207 -4.744 8.412 1.00 21.43 C ATOM 1872 CD GLU A 114 13.289 -5.130 9.435 1.00 11.23 C ATOM 1873 OE1 GLU A 114 13.720 -6.307 9.448 1.00 3.45 O ATOM 1874 OE2 GLU A 114 13.717 -4.264 10.233 1.00 4.53 O ATOM 0 H GLU A 114 11.682 -2.030 7.789 1.00 63.24 H new ATOM 0 HA GLU A 114 14.449 -3.008 7.618 1.00 65.32 H new ATOM 0 HB2 GLU A 114 11.930 -4.160 6.352 1.00 55.12 H new ATOM 0 HB3 GLU A 114 13.445 -4.986 6.659 1.00 55.12 H new ATOM 0 HG2 GLU A 114 11.575 -3.969 8.845 1.00 21.43 H new ATOM 0 HG3 GLU A 114 11.570 -5.610 8.231 1.00 21.43 H new ATOM 1881 N GLY A 115 12.916 -1.398 5.222 1.00 53.52 N ATOM 1882 CA GLY A 115 13.082 -0.735 3.921 1.00 73.03 C ATOM 1883 C GLY A 115 12.854 -1.660 2.727 1.00 12.23 C ATOM 1884 O GLY A 115 13.738 -1.824 1.877 1.00 52.43 O ATOM 0 H GLY A 115 12.097 -1.082 5.742 1.00 53.52 H new ATOM 0 HA2 GLY A 115 12.387 0.102 3.859 1.00 73.03 H new ATOM 0 HA3 GLY A 115 14.088 -0.320 3.861 1.00 73.03 H new ATOM 1888 N GLY A 116 11.660 -2.279 2.678 1.00 50.22 N ATOM 1889 CA GLY A 116 11.293 -3.208 1.594 1.00 3.24 C ATOM 1890 C GLY A 116 10.772 -4.552 2.097 1.00 72.21 C ATOM 1891 O GLY A 116 10.344 -5.395 1.298 1.00 3.22 O ATOM 0 H GLY A 116 10.931 -2.152 3.380 1.00 50.22 H new ATOM 0 HA2 GLY A 116 10.531 -2.742 0.969 1.00 3.24 H new ATOM 0 HA3 GLY A 116 12.164 -3.378 0.961 1.00 3.24 H new ATOM 1895 N SER A 117 10.812 -4.745 3.424 1.00 3.32 N ATOM 1896 CA SER A 117 10.250 -5.931 4.108 1.00 45.14 C ATOM 1897 C SER A 117 9.624 -5.499 5.447 1.00 73.33 C ATOM 1898 O SER A 117 9.801 -4.362 5.885 1.00 12.21 O ATOM 1899 CB SER A 117 11.353 -7.007 4.327 1.00 2.01 C ATOM 1900 OG SER A 117 11.902 -7.452 3.086 1.00 23.32 O ATOM 0 H SER A 117 11.240 -4.076 4.065 1.00 3.32 H new ATOM 0 HA SER A 117 9.474 -6.375 3.484 1.00 45.14 H new ATOM 0 HB2 SER A 117 12.146 -6.595 4.950 1.00 2.01 H new ATOM 0 HB3 SER A 117 10.933 -7.856 4.866 1.00 2.01 H new ATOM 0 HG SER A 117 12.593 -8.126 3.257 1.00 23.32 H new ATOM 1906 N LEU A 118 8.864 -6.408 6.062 1.00 53.01 N ATOM 1907 CA LEU A 118 8.304 -6.242 7.420 1.00 63.01 C ATOM 1908 C LEU A 118 9.237 -6.923 8.434 1.00 32.24 C ATOM 1909 O LEU A 118 10.117 -7.694 8.029 1.00 0.34 O ATOM 1910 CB LEU A 118 6.896 -6.888 7.441 1.00 45.35 C ATOM 1911 CG LEU A 118 5.879 -6.279 6.430 1.00 55.24 C ATOM 1912 CD1 LEU A 118 4.672 -7.212 6.214 1.00 61.23 C ATOM 1913 CD2 LEU A 118 5.446 -4.868 6.878 1.00 32.12 C ATOM 0 H LEU A 118 8.612 -7.297 5.630 1.00 53.01 H new ATOM 0 HA LEU A 118 8.221 -5.188 7.686 1.00 63.01 H new ATOM 0 HB2 LEU A 118 6.998 -7.953 7.234 1.00 45.35 H new ATOM 0 HB3 LEU A 118 6.485 -6.797 8.447 1.00 45.35 H new ATOM 0 HG LEU A 118 6.376 -6.180 5.465 1.00 55.24 H new ATOM 0 HD11 LEU A 118 3.983 -6.756 5.503 1.00 61.23 H new ATOM 0 HD12 LEU A 118 5.017 -8.169 5.822 1.00 61.23 H new ATOM 0 HD13 LEU A 118 4.161 -7.372 7.164 1.00 61.23 H new ATOM 0 HD21 LEU A 118 4.736 -4.460 6.159 1.00 32.12 H new ATOM 0 HD22 LEU A 118 4.976 -4.926 7.860 1.00 32.12 H new ATOM 0 HD23 LEU A 118 6.320 -4.219 6.933 1.00 32.12 H new ATOM 1925 N GLU A 119 9.046 -6.639 9.737 1.00 62.53 N ATOM 1926 CA GLU A 119 9.818 -7.279 10.833 1.00 43.11 C ATOM 1927 C GLU A 119 9.638 -8.813 10.807 1.00 62.43 C ATOM 1928 O GLU A 119 10.615 -9.572 10.811 1.00 4.11 O ATOM 1929 CB GLU A 119 9.379 -6.690 12.200 1.00 40.12 C ATOM 1930 CG GLU A 119 9.760 -5.209 12.415 1.00 40.21 C ATOM 1931 CD GLU A 119 9.380 -4.681 13.813 1.00 43.23 C ATOM 1932 OE1 GLU A 119 8.690 -3.648 13.918 1.00 14.33 O ATOM 1933 OE2 GLU A 119 9.774 -5.311 14.822 1.00 14.33 O ATOM 0 H GLU A 119 8.356 -5.963 10.064 1.00 62.53 H new ATOM 0 HA GLU A 119 10.878 -7.068 10.687 1.00 43.11 H new ATOM 0 HB2 GLU A 119 8.298 -6.790 12.293 1.00 40.12 H new ATOM 0 HB3 GLU A 119 9.824 -7.285 12.997 1.00 40.12 H new ATOM 0 HG2 GLU A 119 10.834 -5.092 12.269 1.00 40.21 H new ATOM 0 HG3 GLU A 119 9.267 -4.600 11.657 1.00 40.21 H new ATOM 1940 N HIS A 120 8.374 -9.253 10.788 1.00 74.33 N ATOM 1941 CA HIS A 120 8.023 -10.641 10.432 1.00 70.34 C ATOM 1942 C HIS A 120 8.143 -10.797 8.915 1.00 35.25 C ATOM 1943 O HIS A 120 7.923 -9.824 8.187 1.00 13.11 O ATOM 1944 CB HIS A 120 6.609 -11.016 10.928 1.00 42.31 C ATOM 1945 CG HIS A 120 6.498 -11.122 12.432 1.00 70.32 C ATOM 1946 ND1 HIS A 120 6.494 -12.325 13.099 1.00 4.33 N ATOM 1947 CD2 HIS A 120 6.397 -10.169 13.392 1.00 54.11 C ATOM 1948 CE1 HIS A 120 6.402 -12.113 14.393 1.00 0.13 C ATOM 1949 NE2 HIS A 120 6.342 -10.815 14.601 1.00 23.31 N ATOM 0 H HIS A 120 7.571 -8.667 11.016 1.00 74.33 H new ATOM 0 HA HIS A 120 8.712 -11.326 10.926 1.00 70.34 H new ATOM 0 HB2 HIS A 120 5.899 -10.269 10.572 1.00 42.31 H new ATOM 0 HB3 HIS A 120 6.319 -11.968 10.484 1.00 42.31 H new ATOM 0 HD2 HIS A 120 6.366 -9.101 13.234 1.00 54.11 H new ATOM 0 HE1 HIS A 120 6.379 -12.876 15.157 1.00 0.13 H new ATOM 0 HE2 HIS A 120 6.267 -10.363 15.512 1.00 23.31 H new ATOM 1958 N HIS A 121 8.422 -12.041 8.461 1.00 55.12 N ATOM 1959 CA HIS A 121 8.987 -12.342 7.117 1.00 31.35 C ATOM 1960 C HIS A 121 10.480 -11.948 7.146 1.00 52.34 C ATOM 1961 O HIS A 121 11.039 -11.430 6.174 1.00 75.44 O ATOM 1962 CB HIS A 121 8.214 -11.649 5.935 1.00 40.15 C ATOM 1963 CG HIS A 121 6.722 -11.950 5.841 1.00 52.20 C ATOM 1964 ND1 HIS A 121 5.940 -11.511 4.795 1.00 52.53 N ATOM 1965 CD2 HIS A 121 5.870 -12.612 6.670 1.00 63.44 C ATOM 1966 CE1 HIS A 121 4.689 -11.882 4.976 1.00 43.24 C ATOM 1967 NE2 HIS A 121 4.619 -12.550 6.106 1.00 21.30 N ATOM 0 H HIS A 121 8.260 -12.877 9.022 1.00 55.12 H new ATOM 0 HA HIS A 121 8.873 -13.407 6.915 1.00 31.35 H new ATOM 0 HB2 HIS A 121 8.341 -10.570 6.028 1.00 40.15 H new ATOM 0 HB3 HIS A 121 8.684 -11.946 4.997 1.00 40.15 H new ATOM 0 HD1 HIS A 121 6.280 -10.976 3.996 1.00 52.53 H new ATOM 0 HD2 HIS A 121 6.129 -13.097 7.600 1.00 63.44 H new ATOM 0 HE1 HIS A 121 3.864 -11.673 4.311 1.00 43.24 H new ATOM 1976 N HIS A 122 11.108 -12.261 8.297 1.00 22.24 N ATOM 1977 CA HIS A 122 12.499 -11.905 8.620 1.00 62.14 C ATOM 1978 C HIS A 122 13.492 -12.514 7.606 1.00 13.50 C ATOM 1979 O HIS A 122 13.702 -13.738 7.579 1.00 34.55 O ATOM 1980 CB HIS A 122 12.847 -12.340 10.075 1.00 52.15 C ATOM 1981 CG HIS A 122 12.745 -13.830 10.347 1.00 34.13 C ATOM 1982 ND1 HIS A 122 13.838 -14.676 10.382 1.00 15.21 N ATOM 1983 CD2 HIS A 122 11.667 -14.621 10.570 1.00 54.42 C ATOM 1984 CE1 HIS A 122 13.432 -15.911 10.602 1.00 23.23 C ATOM 1985 NE2 HIS A 122 12.123 -15.902 10.723 1.00 31.14 N ATOM 0 H HIS A 122 10.648 -12.781 9.044 1.00 22.24 H new ATOM 0 HA HIS A 122 12.592 -10.821 8.552 1.00 62.14 H new ATOM 0 HB2 HIS A 122 13.862 -12.014 10.301 1.00 52.15 H new ATOM 0 HB3 HIS A 122 12.183 -11.815 10.762 1.00 52.15 H new ATOM 0 HD2 HIS A 122 10.637 -14.299 10.618 1.00 54.42 H new ATOM 0 HE1 HIS A 122 14.067 -16.782 10.671 1.00 23.23 H new ATOM 0 HE2 HIS A 122 11.540 -16.720 10.902 1.00 31.14 H new ATOM 1994 N HIS A 123 14.052 -11.635 6.746 1.00 42.51 N ATOM 1995 CA HIS A 123 15.034 -11.995 5.698 1.00 23.34 C ATOM 1996 C HIS A 123 14.480 -13.133 4.801 1.00 25.21 C ATOM 1997 O HIS A 123 15.174 -14.115 4.509 1.00 21.43 O ATOM 1998 CB HIS A 123 16.419 -12.360 6.340 1.00 24.23 C ATOM 1999 CG HIS A 123 17.610 -12.185 5.415 1.00 34.52 C ATOM 2000 ND1 HIS A 123 18.579 -11.227 5.621 1.00 30.43 N ATOM 2001 CD2 HIS A 123 17.980 -12.836 4.280 1.00 54.13 C ATOM 2002 CE1 HIS A 123 19.482 -11.295 4.663 1.00 25.33 C ATOM 2003 NE2 HIS A 123 19.143 -12.259 3.834 1.00 42.33 N ATOM 0 H HIS A 123 13.831 -10.639 6.760 1.00 42.51 H new ATOM 0 HA HIS A 123 15.199 -11.131 5.054 1.00 23.34 H new ATOM 0 HB2 HIS A 123 16.569 -11.741 7.225 1.00 24.23 H new ATOM 0 HB3 HIS A 123 16.387 -13.396 6.677 1.00 24.23 H new ATOM 0 HD2 HIS A 123 17.455 -13.657 3.814 1.00 54.13 H new ATOM 0 HE1 HIS A 123 20.354 -10.665 4.573 1.00 25.33 H new ATOM 0 HE2 HIS A 123 19.659 -12.532 2.998 1.00 42.33 H new ATOM 2012 N HIS A 124 13.198 -12.995 4.390 1.00 14.22 N ATOM 2013 CA HIS A 124 12.513 -14.002 3.533 1.00 30.10 C ATOM 2014 C HIS A 124 13.047 -13.976 2.082 1.00 23.02 C ATOM 2015 O HIS A 124 12.732 -14.852 1.273 1.00 53.31 O ATOM 2016 CB HIS A 124 10.970 -13.825 3.574 1.00 54.45 C ATOM 2017 CG HIS A 124 10.429 -12.574 2.921 1.00 24.10 C ATOM 2018 ND1 HIS A 124 9.463 -12.605 1.942 1.00 23.43 N ATOM 2019 CD2 HIS A 124 10.673 -11.261 3.149 1.00 21.23 C ATOM 2020 CE1 HIS A 124 9.136 -11.381 1.607 1.00 3.11 C ATOM 2021 NE2 HIS A 124 9.855 -10.545 2.322 1.00 1.24 N ATOM 0 H HIS A 124 12.613 -12.197 4.636 1.00 14.22 H new ATOM 0 HA HIS A 124 12.742 -14.986 3.943 1.00 30.10 H new ATOM 0 HB2 HIS A 124 10.512 -14.689 3.093 1.00 54.45 H new ATOM 0 HB3 HIS A 124 10.651 -13.834 4.616 1.00 54.45 H new ATOM 0 HD2 HIS A 124 11.383 -10.855 3.854 1.00 21.23 H new ATOM 0 HE1 HIS A 124 8.399 -11.105 0.867 1.00 3.11 H new ATOM 0 HE2 HIS A 124 9.810 -9.527 2.268 1.00 1.24 H new ATOM 2030 N HIS A 125 13.837 -12.942 1.768 1.00 31.03 N ATOM 2031 CA HIS A 125 14.661 -12.861 0.553 1.00 21.12 C ATOM 2032 C HIS A 125 16.096 -12.519 0.996 1.00 53.53 C ATOM 2033 O HIS A 125 16.325 -11.381 1.456 1.00 73.44 O ATOM 2034 CB HIS A 125 14.107 -11.799 -0.437 1.00 44.30 C ATOM 2035 CG HIS A 125 12.841 -12.220 -1.125 1.00 41.15 C ATOM 2036 ND1 HIS A 125 12.823 -12.857 -2.342 1.00 71.31 N ATOM 2037 CD2 HIS A 125 11.554 -12.128 -0.739 1.00 13.51 C ATOM 2038 CE1 HIS A 125 11.583 -13.136 -2.669 1.00 71.15 C ATOM 2039 NE2 HIS A 125 10.792 -12.704 -1.715 1.00 70.33 N ATOM 2040 OXT HIS A 125 16.975 -13.400 0.933 1.00 38.08 O ATOM 0 H HIS A 125 13.924 -12.119 2.364 1.00 31.03 H new ATOM 0 HA HIS A 125 14.645 -13.812 0.020 1.00 21.12 H new ATOM 0 HB2 HIS A 125 13.925 -10.870 0.104 1.00 44.30 H new ATOM 0 HB3 HIS A 125 14.866 -11.586 -1.190 1.00 44.30 H new ATOM 0 HD2 HIS A 125 11.191 -11.681 0.175 1.00 13.51 H new ATOM 0 HE1 HIS A 125 11.267 -13.637 -3.572 1.00 71.15 H new ATOM 0 HE2 HIS A 125 9.775 -12.785 -1.704 1.00 70.33 H new TER 2049 HIS A 125