USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 760 hydrogens (35 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: A2048 HIS : no HD1:sc= -1.57 K(o=-4.5,f=-9.1!) USER MOD Set 1.2: A2049 MET CE :methyl 146:sc= -2.94! (180deg=-6.28!) USER MOD Single : A2047 SER OG : rot 180:sc= 0 USER MOD Single : A2052 ASN : amide:sc= 0.016 X(o=0.016,f=-0.15) USER MOD Single : A2055 SER OG : rot 180:sc= -0.626 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A2058 GLN : amide:sc= -0.248 K(o=-0.25,f=-1) USER MOD Single : A2059 GLN : amide:sc= -0.914 K(o=-0.91,f=-4.5!) USER MOD Single : A2060 GLN : amide:sc=-0.00962 K(o=-0.0096,f=-1.7) USER MOD Single : A2061 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.83) USER MOD Single : A2062 THR OG1 : rot 79:sc= 0.0528 USER MOD Single : A2065 THR OG1 : rot 83:sc= 1.3 USER MOD Single : A2071 THR OG1 : rot 144:sc= 0.563 USER MOD Single : A2073 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A2077 HIS : no HD1:sc= -0.447 K(o=-0.45,f=-5!) USER MOD Single : A2078 HIS : no HD1:sc= -0.787! C(o=-0.79!,f=-5.2!) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2082 SER OG : rot -42:sc= 0.459 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -170:sc= -0.195 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot -160:sc= 0.768 USER MOD Single : A2104 ASN : amide:sc= -2.03! C(o=-2!,f=-1.8!) USER MOD Single : A2105 THR OG1 : rot 180:sc= 0 USER MOD Single : A2107 THR OG1 : rot 82:sc= 0.437 USER MOD Single : A2108 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.012) USER MOD Single : A2109 ASN : amide:sc=-0.00127 X(o=-0.0013,f=-0.0013) USER MOD Single : A2110 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A2117 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A2122 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=0.00052) USER MOD Single : A2124 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 70:sc= 0.144 USER MOD Single : A2130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2131 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-0.73) USER MOD Single : A2133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2134 THR OG1 : rot 72:sc= 0.63 USER MOD Single : A2137 THR OG1 : rot 7:sc= 0.53 USER MOD Single : A2138 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.77) USER MOD Single : A2139 SER OG : rot 71:sc= 1.23 USER MOD Single : A2140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 12.399 -9.572 -8.693 1.00 6.58 N ATOM 2 CA GLY A2046 13.048 -8.264 -8.939 1.00 6.00 C ATOM 3 C GLY A2046 12.190 -7.105 -8.481 1.00 4.95 C ATOM 4 O GLY A2046 10.962 -7.187 -8.506 1.00 5.03 O ATOM 0 HA2 GLY A2046 14.006 -8.232 -8.420 1.00 6.00 H new ATOM 0 HA3 GLY A2046 13.259 -8.159 -10.003 1.00 6.00 H new ATOM 10 N SER A2047 12.834 -6.030 -8.055 1.00 4.27 N ATOM 11 CA SER A2047 12.131 -4.836 -7.617 1.00 3.35 C ATOM 12 C SER A2047 12.877 -3.589 -8.073 1.00 3.13 C ATOM 13 O SER A2047 14.084 -3.629 -8.323 1.00 3.47 O ATOM 14 CB SER A2047 11.985 -4.838 -6.091 1.00 3.02 C ATOM 15 OG SER A2047 13.236 -5.073 -5.463 1.00 3.54 O ATOM 0 H SER A2047 13.850 -5.961 -8.003 1.00 4.27 H new ATOM 0 HA SER A2047 11.137 -4.831 -8.064 1.00 3.35 H new ATOM 0 HB2 SER A2047 11.581 -3.882 -5.759 1.00 3.02 H new ATOM 0 HB3 SER A2047 11.273 -5.607 -5.791 1.00 3.02 H new ATOM 0 HG SER A2047 13.120 -5.068 -4.490 1.00 3.54 H new ATOM 21 N HIS A2048 12.151 -2.487 -8.184 1.00 3.12 N ATOM 22 CA HIS A2048 12.734 -1.206 -8.580 1.00 3.29 C ATOM 23 C HIS A2048 13.329 -0.488 -7.370 1.00 2.68 C ATOM 24 O HIS A2048 13.505 0.730 -7.370 1.00 3.15 O ATOM 25 CB HIS A2048 11.689 -0.320 -9.282 1.00 4.29 C ATOM 26 CG HIS A2048 10.497 0.058 -8.447 1.00 5.00 C ATOM 27 ND1 HIS A2048 10.142 1.365 -8.201 1.00 5.92 N ATOM 28 CD2 HIS A2048 9.549 -0.701 -7.846 1.00 5.21 C ATOM 29 CE1 HIS A2048 9.033 1.393 -7.490 1.00 6.67 C ATOM 30 NE2 HIS A2048 8.646 0.153 -7.262 1.00 6.28 N ATOM 0 H HIS A2048 11.148 -2.451 -8.004 1.00 3.12 H new ATOM 0 HA HIS A2048 13.538 -1.404 -9.289 1.00 3.29 H new ATOM 0 HB2 HIS A2048 12.180 0.593 -9.619 1.00 4.29 H new ATOM 0 HB3 HIS A2048 11.337 -0.840 -10.173 1.00 4.29 H new ATOM 0 HD2 HIS A2048 9.511 -1.780 -7.829 1.00 5.21 H new ATOM 0 HE1 HIS A2048 8.525 2.284 -7.150 1.00 6.67 H new ATOM 0 HE2 HIS A2048 7.815 -0.125 -6.740 1.00 6.28 H new ATOM 39 N MET A2049 13.633 -1.264 -6.344 1.00 2.16 N ATOM 40 CA MET A2049 14.106 -0.739 -5.070 1.00 2.54 C ATOM 41 C MET A2049 15.616 -0.751 -4.991 1.00 3.09 C ATOM 42 O MET A2049 16.190 -0.562 -3.921 1.00 3.75 O ATOM 43 CB MET A2049 13.559 -1.582 -3.928 1.00 2.76 C ATOM 44 CG MET A2049 12.122 -1.263 -3.553 1.00 2.18 C ATOM 45 SD MET A2049 11.006 -1.245 -4.971 1.00 2.91 S ATOM 46 CE MET A2049 9.450 -0.895 -4.170 1.00 2.37 C ATOM 0 H MET A2049 13.559 -2.281 -6.369 1.00 2.16 H new ATOM 0 HA MET A2049 13.755 0.290 -4.990 1.00 2.54 H new ATOM 0 HB2 MET A2049 13.626 -2.634 -4.203 1.00 2.76 H new ATOM 0 HB3 MET A2049 14.192 -1.441 -3.052 1.00 2.76 H new ATOM 0 HG2 MET A2049 11.770 -1.999 -2.831 1.00 2.18 H new ATOM 0 HG3 MET A2049 12.089 -0.291 -3.060 1.00 2.18 H new ATOM 0 HE1 MET A2049 8.832 -0.284 -4.827 1.00 2.37 H new ATOM 0 HE2 MET A2049 8.934 -1.830 -3.953 1.00 2.37 H new ATOM 0 HE3 MET A2049 9.633 -0.357 -3.240 1.00 2.37 H new ATOM 56 N ARG A2050 16.267 -0.959 -6.118 1.00 3.38 N ATOM 57 CA ARG A2050 17.706 -1.127 -6.116 1.00 4.33 C ATOM 58 C ARG A2050 18.414 0.226 -6.043 1.00 4.19 C ATOM 59 O ARG A2050 19.638 0.312 -6.126 1.00 4.88 O ATOM 60 CB ARG A2050 18.155 -1.918 -7.343 1.00 5.36 C ATOM 61 CG ARG A2050 17.477 -3.271 -7.462 1.00 6.15 C ATOM 62 CD ARG A2050 17.796 -4.161 -6.276 1.00 6.73 C ATOM 63 NE ARG A2050 17.128 -5.460 -6.363 1.00 7.76 N ATOM 64 CZ ARG A2050 17.154 -6.373 -5.390 1.00 8.52 C ATOM 65 NH1 ARG A2050 17.790 -6.116 -4.255 1.00 8.48 N ATOM 66 NH2 ARG A2050 16.534 -7.537 -5.549 1.00 9.54 N ATOM 0 H ARG A2050 15.828 -1.015 -7.037 1.00 3.38 H new ATOM 0 HA ARG A2050 17.983 -1.694 -5.227 1.00 4.33 H new ATOM 0 HB2 ARG A2050 17.947 -1.334 -8.240 1.00 5.36 H new ATOM 0 HB3 ARG A2050 19.235 -2.062 -7.300 1.00 5.36 H new ATOM 0 HG2 ARG A2050 16.398 -3.133 -7.534 1.00 6.15 H new ATOM 0 HG3 ARG A2050 17.798 -3.760 -8.382 1.00 6.15 H new ATOM 0 HD2 ARG A2050 18.874 -4.312 -6.217 1.00 6.73 H new ATOM 0 HD3 ARG A2050 17.494 -3.660 -5.356 1.00 6.73 H new ATOM 0 HE ARG A2050 16.613 -5.680 -7.216 1.00 7.76 H new ATOM 0 HH11 ARG A2050 18.260 -5.220 -4.125 1.00 8.48 H new ATOM 0 HH12 ARG A2050 17.809 -6.814 -3.512 1.00 8.48 H new ATOM 0 HH21 ARG A2050 16.036 -7.735 -6.417 1.00 9.54 H new ATOM 0 HH22 ARG A2050 16.556 -8.233 -4.803 1.00 9.54 H new ATOM 80 N LEU A2051 17.620 1.274 -5.858 1.00 3.64 N ATOM 81 CA LEU A2051 18.111 2.644 -5.707 1.00 3.84 C ATOM 82 C LEU A2051 18.680 2.880 -4.305 1.00 3.17 C ATOM 83 O LEU A2051 18.617 3.999 -3.788 1.00 3.42 O ATOM 84 CB LEU A2051 16.997 3.660 -5.997 1.00 4.74 C ATOM 85 CG LEU A2051 16.674 3.911 -7.478 1.00 5.66 C ATOM 86 CD1 LEU A2051 17.919 4.347 -8.236 1.00 6.21 C ATOM 87 CD2 LEU A2051 16.057 2.681 -8.125 1.00 6.31 C ATOM 0 H LEU A2051 16.604 1.198 -5.808 1.00 3.64 H new ATOM 0 HA LEU A2051 18.913 2.784 -6.432 1.00 3.84 H new ATOM 0 HB2 LEU A2051 16.087 3.321 -5.501 1.00 4.74 H new ATOM 0 HB3 LEU A2051 17.274 4.611 -5.541 1.00 4.74 H new ATOM 0 HG LEU A2051 15.942 4.717 -7.525 1.00 5.66 H new ATOM 0 HD11 LEU A2051 17.666 4.519 -9.282 1.00 6.21 H new ATOM 0 HD12 LEU A2051 18.306 5.268 -7.800 1.00 6.21 H new ATOM 0 HD13 LEU A2051 18.677 3.567 -8.169 1.00 6.21 H new ATOM 0 HD21 LEU A2051 15.840 2.891 -9.172 1.00 6.31 H new ATOM 0 HD22 LEU A2051 16.755 1.846 -8.059 1.00 6.31 H new ATOM 0 HD23 LEU A2051 15.133 2.423 -7.608 1.00 6.31 H new ATOM 99 N ASN A2052 19.172 1.799 -3.688 1.00 2.84 N ATOM 100 CA ASN A2052 19.736 1.816 -2.331 1.00 3.03 C ATOM 101 C ASN A2052 20.578 3.066 -2.069 1.00 2.88 C ATOM 102 O ASN A2052 21.209 3.618 -2.976 1.00 2.92 O ATOM 103 CB ASN A2052 20.592 0.563 -2.092 1.00 3.65 C ATOM 104 CG ASN A2052 21.947 0.624 -2.780 1.00 4.17 C ATOM 105 OD1 ASN A2052 22.930 1.087 -2.197 1.00 4.47 O ATOM 106 ND2 ASN A2052 22.013 0.157 -4.018 1.00 4.71 N ATOM 0 H ASN A2052 19.190 0.876 -4.122 1.00 2.84 H new ATOM 0 HA ASN A2052 18.895 1.828 -1.638 1.00 3.03 H new ATOM 0 HB2 ASN A2052 20.741 0.432 -1.020 1.00 3.65 H new ATOM 0 HB3 ASN A2052 20.050 -0.313 -2.448 1.00 3.65 H new ATOM 0 HD21 ASN A2052 22.899 0.173 -4.522 1.00 4.71 H new ATOM 0 HD22 ASN A2052 21.177 -0.218 -4.467 1.00 4.71 H new ATOM 113 N GLY A2053 20.601 3.482 -0.814 1.00 3.23 N ATOM 114 CA GLY A2053 21.174 4.762 -0.456 1.00 3.43 C ATOM 115 C GLY A2053 20.085 5.715 -0.028 1.00 2.89 C ATOM 116 O GLY A2053 20.337 6.871 0.315 1.00 2.97 O ATOM 0 H GLY A2053 20.229 2.949 -0.028 1.00 3.23 H new ATOM 0 HA2 GLY A2053 21.894 4.634 0.352 1.00 3.43 H new ATOM 0 HA3 GLY A2053 21.718 5.176 -1.305 1.00 3.43 H new ATOM 120 N LEU A2054 18.865 5.198 -0.053 1.00 2.44 N ATOM 121 CA LEU A2054 17.683 5.946 0.324 1.00 2.06 C ATOM 122 C LEU A2054 17.620 6.095 1.839 1.00 1.93 C ATOM 123 O LEU A2054 17.939 5.161 2.579 1.00 2.10 O ATOM 124 CB LEU A2054 16.433 5.212 -0.196 1.00 1.96 C ATOM 125 CG LEU A2054 16.049 3.971 0.583 1.00 2.68 C ATOM 126 CD1 LEU A2054 14.979 4.335 1.588 1.00 3.19 C ATOM 127 CD2 LEU A2054 15.587 2.876 -0.358 1.00 3.31 C ATOM 0 H LEU A2054 18.670 4.238 -0.339 1.00 2.44 H new ATOM 0 HA LEU A2054 17.724 6.942 -0.117 1.00 2.06 H new ATOM 0 HB2 LEU A2054 15.592 5.905 -0.184 1.00 1.96 H new ATOM 0 HB3 LEU A2054 16.601 4.932 -1.236 1.00 1.96 H new ATOM 0 HG LEU A2054 16.915 3.585 1.120 1.00 2.68 H new ATOM 0 HD11 LEU A2054 14.695 3.448 2.155 1.00 3.19 H new ATOM 0 HD12 LEU A2054 15.363 5.094 2.270 1.00 3.19 H new ATOM 0 HD13 LEU A2054 14.106 4.726 1.065 1.00 3.19 H new ATOM 0 HD21 LEU A2054 15.315 1.992 0.218 1.00 3.31 H new ATOM 0 HD22 LEU A2054 14.721 3.222 -0.922 1.00 3.31 H new ATOM 0 HD23 LEU A2054 16.393 2.626 -1.048 1.00 3.31 H new ATOM 139 N SER A2055 17.250 7.273 2.299 1.00 1.75 N ATOM 140 CA SER A2055 16.925 7.459 3.699 1.00 1.71 C ATOM 141 C SER A2055 15.509 6.930 3.908 1.00 1.44 C ATOM 142 O SER A2055 14.685 7.070 3.015 1.00 1.25 O ATOM 143 CB SER A2055 17.023 8.940 4.077 1.00 1.78 C ATOM 144 OG SER A2055 16.979 9.121 5.481 1.00 2.08 O ATOM 0 H SER A2055 17.167 8.113 1.727 1.00 1.75 H new ATOM 0 HA SER A2055 17.626 6.920 4.337 1.00 1.71 H new ATOM 0 HB2 SER A2055 17.951 9.356 3.684 1.00 1.78 H new ATOM 0 HB3 SER A2055 16.205 9.490 3.612 1.00 1.78 H new ATOM 0 HG SER A2055 17.045 10.076 5.690 1.00 2.08 H new ATOM 150 N PRO A2056 15.214 6.305 5.059 1.00 1.48 N ATOM 151 CA PRO A2056 13.931 5.629 5.314 1.00 1.29 C ATOM 152 C PRO A2056 12.702 6.348 4.741 1.00 1.09 C ATOM 153 O PRO A2056 11.841 5.712 4.126 1.00 0.87 O ATOM 154 CB PRO A2056 13.872 5.605 6.835 1.00 1.53 C ATOM 155 CG PRO A2056 15.295 5.458 7.251 1.00 1.78 C ATOM 156 CD PRO A2056 16.119 6.190 6.220 1.00 1.78 C ATOM 0 HA PRO A2056 13.897 4.653 4.830 1.00 1.29 H new ATOM 0 HB2 PRO A2056 13.433 6.521 7.231 1.00 1.53 H new ATOM 0 HB3 PRO A2056 13.263 4.777 7.197 1.00 1.53 H new ATOM 0 HG2 PRO A2056 15.454 5.877 8.244 1.00 1.78 H new ATOM 0 HG3 PRO A2056 15.579 4.407 7.300 1.00 1.78 H new ATOM 0 HD2 PRO A2056 16.432 7.170 6.581 1.00 1.78 H new ATOM 0 HD3 PRO A2056 17.025 5.639 5.968 1.00 1.78 H new ATOM 164 N GLN A2057 12.638 7.666 4.913 1.00 1.22 N ATOM 165 CA GLN A2057 11.476 8.442 4.478 1.00 1.17 C ATOM 166 C GLN A2057 11.360 8.518 2.955 1.00 1.01 C ATOM 167 O GLN A2057 10.293 8.834 2.429 1.00 0.95 O ATOM 168 CB GLN A2057 11.517 9.846 5.068 1.00 1.44 C ATOM 169 CG GLN A2057 11.457 9.857 6.584 1.00 1.66 C ATOM 170 CD GLN A2057 11.468 11.256 7.163 1.00 2.02 C ATOM 171 OE1 GLN A2057 12.048 12.177 6.588 1.00 2.32 O ATOM 172 NE2 GLN A2057 10.824 11.425 8.307 1.00 2.40 N ATOM 0 H GLN A2057 13.375 8.220 5.350 1.00 1.22 H new ATOM 0 HA GLN A2057 10.593 7.920 4.847 1.00 1.17 H new ATOM 0 HB2 GLN A2057 12.431 10.344 4.743 1.00 1.44 H new ATOM 0 HB3 GLN A2057 10.682 10.424 4.673 1.00 1.44 H new ATOM 0 HG2 GLN A2057 10.554 9.341 6.911 1.00 1.66 H new ATOM 0 HG3 GLN A2057 12.305 9.298 6.980 1.00 1.66 H new ATOM 0 HE21 GLN A2057 10.356 10.635 8.751 1.00 2.40 H new ATOM 0 HE22 GLN A2057 10.796 12.346 8.745 1.00 2.40 H new ATOM 181 N GLN A2058 12.450 8.226 2.252 1.00 1.07 N ATOM 182 CA GLN A2058 12.442 8.215 0.790 1.00 1.08 C ATOM 183 C GLN A2058 11.435 7.204 0.275 1.00 0.89 C ATOM 184 O GLN A2058 10.506 7.551 -0.448 1.00 0.84 O ATOM 185 CB GLN A2058 13.825 7.874 0.238 1.00 1.36 C ATOM 186 CG GLN A2058 14.853 8.972 0.440 1.00 1.58 C ATOM 187 CD GLN A2058 14.449 10.279 -0.216 1.00 1.86 C ATOM 188 OE1 GLN A2058 13.754 10.294 -1.234 1.00 2.40 O ATOM 189 NE2 GLN A2058 14.875 11.388 0.364 1.00 2.23 N ATOM 0 H GLN A2058 13.351 7.994 2.670 1.00 1.07 H new ATOM 0 HA GLN A2058 12.163 9.213 0.452 1.00 1.08 H new ATOM 0 HB2 GLN A2058 14.182 6.962 0.717 1.00 1.36 H new ATOM 0 HB3 GLN A2058 13.738 7.662 -0.828 1.00 1.36 H new ATOM 0 HG2 GLN A2058 14.999 9.136 1.508 1.00 1.58 H new ATOM 0 HG3 GLN A2058 15.811 8.647 0.034 1.00 1.58 H new ATOM 0 HE21 GLN A2058 15.449 11.335 1.206 1.00 2.23 H new ATOM 0 HE22 GLN A2058 14.630 12.296 -0.030 1.00 2.23 H new ATOM 198 N GLN A2059 11.620 5.953 0.652 1.00 0.87 N ATOM 199 CA GLN A2059 10.679 4.922 0.275 1.00 0.75 C ATOM 200 C GLN A2059 9.318 5.163 0.919 1.00 0.58 C ATOM 201 O GLN A2059 8.295 5.002 0.268 1.00 0.54 O ATOM 202 CB GLN A2059 11.221 3.542 0.635 1.00 0.80 C ATOM 203 CG GLN A2059 12.377 3.113 -0.247 1.00 1.17 C ATOM 204 CD GLN A2059 12.183 1.722 -0.820 1.00 1.86 C ATOM 205 OE1 GLN A2059 11.584 1.552 -1.880 1.00 2.83 O ATOM 206 NE2 GLN A2059 12.702 0.718 -0.129 1.00 1.87 N ATOM 0 H GLN A2059 12.407 5.630 1.214 1.00 0.87 H new ATOM 0 HA GLN A2059 10.545 4.961 -0.806 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.546 3.545 1.675 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.418 2.810 0.554 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.492 3.826 -1.063 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.301 3.139 0.331 1.00 1.17 H new ATOM 0 HE21 GLN A2059 13.192 0.901 0.747 1.00 1.87 H new ATOM 0 HE22 GLN A2059 12.612 -0.238 -0.473 1.00 1.87 H new ATOM 215 N GLN A2060 9.299 5.570 2.187 1.00 0.54 N ATOM 216 CA GLN A2060 8.043 5.833 2.876 1.00 0.45 C ATOM 217 C GLN A2060 7.154 6.817 2.116 1.00 0.44 C ATOM 218 O GLN A2060 5.955 6.600 2.018 1.00 0.42 O ATOM 219 CB GLN A2060 8.299 6.336 4.291 1.00 0.55 C ATOM 220 CG GLN A2060 8.962 5.294 5.170 1.00 0.57 C ATOM 221 CD GLN A2060 9.184 5.765 6.596 1.00 0.81 C ATOM 222 OE1 GLN A2060 9.371 6.956 6.851 1.00 1.38 O ATOM 223 NE2 GLN A2060 9.164 4.836 7.540 1.00 1.01 N ATOM 0 H GLN A2060 10.134 5.723 2.752 1.00 0.54 H new ATOM 0 HA GLN A2060 7.507 4.885 2.926 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.930 7.224 4.248 1.00 0.55 H new ATOM 0 HB3 GLN A2060 7.354 6.638 4.742 1.00 0.55 H new ATOM 0 HG2 GLN A2060 8.346 4.395 5.183 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.921 5.017 4.733 1.00 0.57 H new ATOM 0 HE21 GLN A2060 9.006 3.859 7.291 1.00 1.01 H new ATOM 0 HE22 GLN A2060 9.306 5.097 8.516 1.00 1.01 H new ATOM 232 N GLN A2061 7.725 7.886 1.568 1.00 0.58 N ATOM 233 CA GLN A2061 6.914 8.845 0.820 1.00 0.61 C ATOM 234 C GLN A2061 6.390 8.218 -0.471 1.00 0.51 C ATOM 235 O GLN A2061 5.225 8.393 -0.827 1.00 0.45 O ATOM 236 CB GLN A2061 7.684 10.137 0.517 1.00 0.83 C ATOM 237 CG GLN A2061 8.884 9.963 -0.386 1.00 0.89 C ATOM 238 CD GLN A2061 9.557 11.275 -0.727 1.00 1.29 C ATOM 239 OE1 GLN A2061 8.917 12.326 -0.767 1.00 1.75 O ATOM 240 NE2 GLN A2061 10.848 11.222 -1.001 1.00 1.97 N ATOM 0 H GLN A2061 8.719 8.108 1.624 1.00 0.58 H new ATOM 0 HA GLN A2061 6.066 9.112 1.451 1.00 0.61 H new ATOM 0 HB2 GLN A2061 7.001 10.851 0.057 1.00 0.83 H new ATOM 0 HB3 GLN A2061 8.016 10.575 1.458 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.605 9.305 0.099 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.572 9.470 -1.307 1.00 0.89 H new ATOM 0 HE21 GLN A2061 11.343 10.331 -0.957 1.00 1.97 H new ATOM 0 HE22 GLN A2061 11.350 12.072 -1.257 1.00 1.97 H new ATOM 249 N THR A2062 7.256 7.486 -1.160 1.00 0.53 N ATOM 250 CA THR A2062 6.865 6.734 -2.348 1.00 0.50 C ATOM 251 C THR A2062 5.713 5.785 -2.038 1.00 0.39 C ATOM 252 O THR A2062 4.650 5.861 -2.647 1.00 0.42 O ATOM 253 CB THR A2062 8.055 5.930 -2.907 1.00 0.59 C ATOM 254 OG1 THR A2062 9.111 6.822 -3.290 1.00 0.74 O ATOM 255 CG2 THR A2062 7.633 5.084 -4.102 1.00 0.83 C ATOM 0 H THR A2062 8.242 7.396 -0.915 1.00 0.53 H new ATOM 0 HA THR A2062 6.539 7.455 -3.098 1.00 0.50 H new ATOM 0 HB THR A2062 8.411 5.261 -2.124 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.603 7.109 -2.492 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.493 4.528 -4.476 1.00 0.83 H new ATOM 0 HG22 THR A2062 6.854 4.386 -3.796 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.250 5.733 -4.890 1.00 0.83 H new ATOM 263 N LEU A2063 5.940 4.903 -1.082 1.00 0.37 N ATOM 264 CA LEU A2063 4.963 3.923 -0.662 1.00 0.29 C ATOM 265 C LEU A2063 3.680 4.583 -0.160 1.00 0.22 C ATOM 266 O LEU A2063 2.587 4.080 -0.410 1.00 0.21 O ATOM 267 CB LEU A2063 5.594 3.039 0.413 1.00 0.30 C ATOM 268 CG LEU A2063 6.574 1.974 -0.107 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.586 2.550 -1.094 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.297 1.311 1.058 1.00 0.79 C ATOM 0 H LEU A2063 6.821 4.849 -0.570 1.00 0.37 H new ATOM 0 HA LEU A2063 4.676 3.311 -1.517 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.120 3.677 1.123 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.797 2.539 0.963 1.00 0.30 H new ATOM 0 HG LEU A2063 5.986 1.229 -0.643 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.255 1.759 -1.432 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.060 2.971 -1.951 1.00 0.92 H new ATOM 0 HD13 LEU A2063 8.167 3.332 -0.605 1.00 0.92 H new ATOM 0 HD21 LEU A2063 7.988 0.559 0.677 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.852 2.064 1.617 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.569 0.835 1.715 1.00 0.79 H new ATOM 282 N ALA A2064 3.816 5.717 0.526 1.00 0.25 N ATOM 283 CA ALA A2064 2.661 6.472 1.007 1.00 0.27 C ATOM 284 C ALA A2064 1.848 7.027 -0.156 1.00 0.25 C ATOM 285 O ALA A2064 0.626 7.139 -0.077 1.00 0.30 O ATOM 286 CB ALA A2064 3.102 7.605 1.918 1.00 0.37 C ATOM 0 H ALA A2064 4.717 6.133 0.761 1.00 0.25 H new ATOM 0 HA ALA A2064 2.030 5.788 1.575 1.00 0.27 H new ATOM 0 HB1 ALA A2064 2.227 8.154 2.265 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.637 7.196 2.775 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.759 8.279 1.368 1.00 0.37 H new ATOM 292 N THR A2065 2.534 7.362 -1.237 1.00 0.24 N ATOM 293 CA THR A2065 1.876 7.887 -2.419 1.00 0.27 C ATOM 294 C THR A2065 1.300 6.737 -3.227 1.00 0.24 C ATOM 295 O THR A2065 0.207 6.831 -3.781 1.00 0.29 O ATOM 296 CB THR A2065 2.851 8.696 -3.289 1.00 0.35 C ATOM 297 OG1 THR A2065 3.533 9.665 -2.481 1.00 0.40 O ATOM 298 CG2 THR A2065 2.115 9.402 -4.415 1.00 0.42 C ATOM 0 H THR A2065 3.547 7.279 -1.319 1.00 0.24 H new ATOM 0 HA THR A2065 1.077 8.555 -2.099 1.00 0.27 H new ATOM 0 HB THR A2065 3.574 8.006 -3.725 1.00 0.35 H new ATOM 0 HG1 THR A2065 4.290 9.238 -2.027 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.827 9.968 -5.016 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.616 8.664 -5.043 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.374 10.082 -3.995 1.00 0.42 H new ATOM 306 N LEU A2066 2.050 5.645 -3.260 1.00 0.21 N ATOM 307 CA LEU A2066 1.623 4.419 -3.911 1.00 0.21 C ATOM 308 C LEU A2066 0.294 3.947 -3.360 1.00 0.18 C ATOM 309 O LEU A2066 -0.682 3.843 -4.090 1.00 0.20 O ATOM 310 CB LEU A2066 2.677 3.332 -3.702 1.00 0.24 C ATOM 311 CG LEU A2066 2.237 1.908 -4.052 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.699 1.833 -5.475 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.396 0.942 -3.868 1.00 0.36 C ATOM 0 H LEU A2066 2.975 5.586 -2.834 1.00 0.21 H new ATOM 0 HA LEU A2066 1.504 4.620 -4.976 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.553 3.580 -4.302 1.00 0.24 H new ATOM 0 HB3 LEU A2066 2.990 3.350 -2.658 1.00 0.24 H new ATOM 0 HG LEU A2066 1.431 1.624 -3.376 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.394 0.810 -5.695 1.00 0.37 H new ATOM 0 HD12 LEU A2066 0.840 2.497 -5.575 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.477 2.139 -6.175 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.072 -0.068 -4.120 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.219 1.232 -4.521 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.730 0.968 -2.831 1.00 0.36 H new ATOM 325 N VAL A2067 0.273 3.662 -2.072 1.00 0.17 N ATOM 326 CA VAL A2067 -0.930 3.166 -1.417 1.00 0.18 C ATOM 327 C VAL A2067 -2.103 4.134 -1.597 1.00 0.19 C ATOM 328 O VAL A2067 -3.236 3.716 -1.846 1.00 0.22 O ATOM 329 CB VAL A2067 -0.686 2.890 0.080 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.199 4.131 0.812 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.947 2.362 0.721 1.00 0.64 C ATOM 0 H VAL A2067 1.077 3.765 -1.453 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.189 2.222 -1.897 1.00 0.18 H new ATOM 0 HB VAL A2067 0.099 2.138 0.156 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -0.039 3.894 1.864 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.738 4.470 0.370 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -0.946 4.920 0.728 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.765 2.170 1.778 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.744 3.099 0.618 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.244 1.435 0.230 1.00 0.64 H new ATOM 341 N ALA A2068 -1.816 5.421 -1.484 1.00 0.19 N ATOM 342 CA ALA A2068 -2.811 6.458 -1.701 1.00 0.23 C ATOM 343 C ALA A2068 -3.355 6.409 -3.124 1.00 0.23 C ATOM 344 O ALA A2068 -4.567 6.397 -3.335 1.00 0.29 O ATOM 345 CB ALA A2068 -2.206 7.820 -1.415 1.00 0.27 C ATOM 0 H ALA A2068 -0.891 5.775 -1.240 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.643 6.284 -1.019 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -2.956 8.593 -1.579 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.867 7.857 -0.380 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.359 7.989 -2.080 1.00 0.27 H new ATOM 351 N ALA A2069 -2.455 6.370 -4.097 1.00 0.20 N ATOM 352 CA ALA A2069 -2.846 6.312 -5.494 1.00 0.22 C ATOM 353 C ALA A2069 -3.520 4.991 -5.805 1.00 0.23 C ATOM 354 O ALA A2069 -4.415 4.924 -6.642 1.00 0.29 O ATOM 355 CB ALA A2069 -1.638 6.522 -6.389 1.00 0.25 C ATOM 0 H ALA A2069 -1.447 6.378 -3.941 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.561 7.112 -5.687 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.947 6.476 -7.433 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.198 7.498 -6.183 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.901 5.743 -6.194 1.00 0.25 H new ATOM 361 N ALA A2070 -3.094 3.947 -5.114 1.00 0.21 N ATOM 362 CA ALA A2070 -3.674 2.632 -5.282 1.00 0.24 C ATOM 363 C ALA A2070 -5.137 2.650 -4.877 1.00 0.26 C ATOM 364 O ALA A2070 -6.019 2.434 -5.704 1.00 0.34 O ATOM 365 CB ALA A2070 -2.908 1.606 -4.469 1.00 0.25 C ATOM 0 H ALA A2070 -2.342 3.989 -4.426 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.608 2.353 -6.334 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.358 0.623 -4.607 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.870 1.580 -4.801 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.945 1.877 -3.414 1.00 0.25 H new ATOM 371 N THR A2071 -5.384 2.974 -3.613 1.00 0.24 N ATOM 372 CA THR A2071 -6.732 2.952 -3.059 1.00 0.28 C ATOM 373 C THR A2071 -7.648 3.912 -3.805 1.00 0.31 C ATOM 374 O THR A2071 -8.820 3.613 -4.053 1.00 0.37 O ATOM 375 CB THR A2071 -6.718 3.291 -1.551 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.002 3.035 -0.973 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.339 4.739 -1.292 1.00 0.29 C ATOM 0 H THR A2071 -4.663 3.257 -2.949 1.00 0.24 H new ATOM 0 HA THR A2071 -7.120 1.941 -3.182 1.00 0.28 H new ATOM 0 HB THR A2071 -5.964 2.653 -1.090 1.00 0.30 H new ATOM 0 HG1 THR A2071 -7.888 2.683 -0.066 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.343 4.930 -0.219 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.343 4.931 -1.691 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.059 5.396 -1.780 1.00 0.29 H new ATOM 385 N ALA A2072 -7.098 5.046 -4.195 1.00 0.31 N ATOM 386 CA ALA A2072 -7.870 6.056 -4.884 1.00 0.40 C ATOM 387 C ALA A2072 -8.240 5.615 -6.293 1.00 0.42 C ATOM 388 O ALA A2072 -9.212 6.102 -6.857 1.00 0.54 O ATOM 389 CB ALA A2072 -7.118 7.370 -4.923 1.00 0.47 C ATOM 0 H ALA A2072 -6.119 5.289 -4.045 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.795 6.198 -4.326 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.716 8.116 -5.446 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.924 7.708 -3.905 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -6.172 7.232 -5.446 1.00 0.47 H new ATOM 395 N THR A2073 -7.468 4.693 -6.850 1.00 0.36 N ATOM 396 CA THR A2073 -7.714 4.209 -8.201 1.00 0.40 C ATOM 397 C THR A2073 -8.649 2.997 -8.212 1.00 0.29 C ATOM 398 O THR A2073 -9.468 2.856 -9.118 1.00 0.34 O ATOM 399 CB THR A2073 -6.394 3.866 -8.922 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.552 5.027 -8.952 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.644 3.387 -10.346 1.00 0.58 C ATOM 0 H THR A2073 -6.666 4.265 -6.387 1.00 0.36 H new ATOM 0 HA THR A2073 -8.206 5.019 -8.740 1.00 0.40 H new ATOM 0 HB THR A2073 -5.907 3.060 -8.373 1.00 0.49 H new ATOM 0 HG1 THR A2073 -5.222 5.215 -8.049 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.692 3.154 -10.824 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.268 2.493 -10.325 1.00 0.58 H new ATOM 0 HG23 THR A2073 -7.151 4.170 -10.910 1.00 0.58 H new ATOM 409 N VAL A2074 -8.545 2.134 -7.203 1.00 0.20 N ATOM 410 CA VAL A2074 -9.411 0.953 -7.140 1.00 0.22 C ATOM 411 C VAL A2074 -10.854 1.399 -6.946 1.00 0.27 C ATOM 412 O VAL A2074 -11.787 0.818 -7.504 1.00 0.41 O ATOM 413 CB VAL A2074 -9.004 -0.049 -6.016 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.514 -0.038 -5.811 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.695 0.230 -4.696 1.00 0.72 C ATOM 0 H VAL A2074 -7.884 2.224 -6.431 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.299 0.418 -8.083 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.327 -1.033 -6.354 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.250 -0.743 -5.023 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.017 -0.326 -6.737 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.194 0.963 -5.524 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.371 -0.500 -3.954 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.437 1.233 -4.355 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.775 0.158 -4.828 1.00 0.72 H new ATOM 425 N LEU A2075 -11.016 2.446 -6.152 1.00 0.27 N ATOM 426 CA LEU A2075 -12.323 3.052 -5.934 1.00 0.37 C ATOM 427 C LEU A2075 -12.616 4.120 -6.982 1.00 0.42 C ATOM 428 O LEU A2075 -13.764 4.286 -7.388 1.00 1.24 O ATOM 429 CB LEU A2075 -12.396 3.658 -4.530 1.00 0.44 C ATOM 430 CG LEU A2075 -12.067 2.687 -3.396 1.00 0.51 C ATOM 431 CD1 LEU A2075 -12.228 3.358 -2.046 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.942 1.449 -3.491 1.00 1.04 C ATOM 0 H LEU A2075 -10.255 2.897 -5.645 1.00 0.27 H new ATOM 0 HA LEU A2075 -13.078 2.271 -6.026 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.709 4.502 -4.478 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -13.399 4.053 -4.372 1.00 0.44 H new ATOM 0 HG LEU A2075 -11.025 2.382 -3.496 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -11.988 2.647 -1.255 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.554 4.213 -1.982 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -13.257 3.698 -1.929 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.697 0.767 -2.677 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -13.990 1.738 -3.418 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.768 0.953 -4.446 1.00 1.04 H new ATOM 444 N GLY A2076 -11.580 4.830 -7.424 1.00 1.16 N ATOM 445 CA GLY A2076 -11.763 5.905 -8.391 1.00 1.30 C ATOM 446 C GLY A2076 -12.682 6.984 -7.859 1.00 0.86 C ATOM 447 O GLY A2076 -13.868 7.009 -8.189 1.00 1.11 O ATOM 0 H GLY A2076 -10.615 4.681 -7.130 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -10.795 6.341 -8.639 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -12.175 5.498 -9.314 1.00 1.30 H new ATOM 451 N HIS A2077 -12.141 7.885 -7.037 1.00 0.88 N ATOM 452 CA HIS A2077 -12.997 8.814 -6.299 1.00 0.79 C ATOM 453 C HIS A2077 -12.213 9.884 -5.527 1.00 1.18 C ATOM 454 O HIS A2077 -12.819 10.680 -4.814 1.00 2.09 O ATOM 455 CB HIS A2077 -13.868 8.024 -5.304 1.00 1.03 C ATOM 456 CG HIS A2077 -13.102 7.425 -4.149 1.00 0.93 C ATOM 457 ND1 HIS A2077 -11.740 7.179 -4.181 1.00 1.17 N ATOM 458 CD2 HIS A2077 -13.512 7.061 -2.910 1.00 0.89 C ATOM 459 CE1 HIS A2077 -11.351 6.698 -3.015 1.00 1.04 C ATOM 460 NE2 HIS A2077 -12.407 6.617 -2.228 1.00 0.92 N ATOM 0 H HIS A2077 -11.141 7.991 -6.868 1.00 0.88 H new ATOM 0 HA HIS A2077 -13.607 9.332 -7.040 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -14.639 8.685 -4.909 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -14.378 7.224 -5.841 1.00 1.03 H new ATOM 0 HD2 HIS A2077 -14.522 7.111 -2.530 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -10.342 6.419 -2.751 1.00 1.04 H new ATOM 0 HE2 HIS A2077 -12.403 6.278 -1.266 1.00 0.92 H new ATOM 469 N HIS A2078 -10.889 9.920 -5.644 1.00 1.15 N ATOM 470 CA HIS A2078 -10.108 10.775 -4.749 1.00 1.82 C ATOM 471 C HIS A2078 -8.703 11.029 -5.279 1.00 1.20 C ATOM 472 O HIS A2078 -8.101 10.163 -5.908 1.00 1.46 O ATOM 473 CB HIS A2078 -10.029 10.115 -3.366 1.00 2.98 C ATOM 474 CG HIS A2078 -9.596 11.029 -2.257 1.00 4.08 C ATOM 475 ND1 HIS A2078 -10.427 11.976 -1.703 1.00 5.04 N ATOM 476 CD2 HIS A2078 -8.427 11.113 -1.575 1.00 4.50 C ATOM 477 CE1 HIS A2078 -9.792 12.604 -0.733 1.00 5.96 C ATOM 478 NE2 HIS A2078 -8.578 12.101 -0.631 1.00 5.67 N ATOM 0 H HIS A2078 -10.347 9.388 -6.324 1.00 1.15 H new ATOM 0 HA HIS A2078 -10.610 11.740 -4.683 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -11.008 9.704 -3.118 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -9.335 9.276 -3.418 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -7.543 10.516 -1.742 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -10.199 13.398 -0.124 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -7.867 12.396 0.038 1.00 5.67 H new ATOM 487 N THR A2079 -8.201 12.227 -5.017 1.00 1.12 N ATOM 488 CA THR A2079 -6.821 12.573 -5.306 1.00 0.78 C ATOM 489 C THR A2079 -5.892 11.872 -4.313 1.00 0.67 C ATOM 490 O THR A2079 -6.019 12.050 -3.099 1.00 0.86 O ATOM 491 CB THR A2079 -6.617 14.101 -5.212 1.00 1.25 C ATOM 492 OG1 THR A2079 -7.452 14.768 -6.171 1.00 1.52 O ATOM 493 CG2 THR A2079 -5.161 14.477 -5.443 1.00 1.42 C ATOM 0 H THR A2079 -8.740 12.985 -4.598 1.00 1.12 H new ATOM 0 HA THR A2079 -6.586 12.247 -6.319 1.00 0.78 H new ATOM 0 HB THR A2079 -6.895 14.418 -4.207 1.00 1.25 H new ATOM 0 HG1 THR A2079 -7.318 15.736 -6.104 1.00 1.52 H new ATOM 0 HG21 THR A2079 -5.049 15.559 -5.371 1.00 1.42 H new ATOM 0 HG22 THR A2079 -4.537 13.996 -4.690 1.00 1.42 H new ATOM 0 HG23 THR A2079 -4.853 14.146 -6.435 1.00 1.42 H new ATOM 501 N PRO A2080 -4.948 11.062 -4.829 1.00 0.48 N ATOM 502 CA PRO A2080 -4.024 10.266 -4.007 1.00 0.48 C ATOM 503 C PRO A2080 -3.237 11.120 -3.022 1.00 0.69 C ATOM 504 O PRO A2080 -2.959 10.700 -1.903 1.00 0.70 O ATOM 505 CB PRO A2080 -3.070 9.652 -5.030 1.00 0.56 C ATOM 506 CG PRO A2080 -3.842 9.633 -6.300 1.00 0.56 C ATOM 507 CD PRO A2080 -4.700 10.861 -6.269 1.00 0.50 C ATOM 0 HA PRO A2080 -4.559 9.536 -3.400 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.160 10.244 -5.128 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.767 8.647 -4.736 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -3.177 9.642 -7.163 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.450 8.732 -6.375 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -4.193 11.718 -6.714 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.629 10.718 -6.821 1.00 0.50 H new ATOM 515 N GLU A2081 -2.895 12.326 -3.446 1.00 0.93 N ATOM 516 CA GLU A2081 -2.167 13.259 -2.629 1.00 1.22 C ATOM 517 C GLU A2081 -2.939 13.595 -1.350 1.00 1.21 C ATOM 518 O GLU A2081 -2.349 13.931 -0.321 1.00 1.32 O ATOM 519 CB GLU A2081 -1.921 14.511 -3.465 1.00 1.52 C ATOM 520 CG GLU A2081 -1.473 15.691 -2.659 1.00 2.12 C ATOM 521 CD GLU A2081 -1.185 16.910 -3.507 1.00 2.46 C ATOM 522 OE1 GLU A2081 -0.005 17.307 -3.603 1.00 2.53 O ATOM 523 OE2 GLU A2081 -2.134 17.477 -4.090 1.00 2.96 O ATOM 0 H GLU A2081 -3.121 12.679 -4.376 1.00 0.93 H new ATOM 0 HA GLU A2081 -1.219 12.822 -2.315 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -1.167 14.291 -4.221 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -2.838 14.770 -3.995 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -2.242 15.938 -1.927 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -0.576 15.423 -2.101 1.00 2.12 H new ATOM 530 N SER A2082 -4.256 13.462 -1.412 1.00 1.13 N ATOM 531 CA SER A2082 -5.117 13.870 -0.317 1.00 1.23 C ATOM 532 C SER A2082 -5.665 12.656 0.448 1.00 0.99 C ATOM 533 O SER A2082 -6.628 12.775 1.207 1.00 1.06 O ATOM 534 CB SER A2082 -6.261 14.730 -0.872 1.00 1.44 C ATOM 535 OG SER A2082 -7.007 15.352 0.163 1.00 1.70 O ATOM 0 H SER A2082 -4.751 13.073 -2.214 1.00 1.13 H new ATOM 0 HA SER A2082 -4.533 14.457 0.392 1.00 1.23 H new ATOM 0 HB2 SER A2082 -5.853 15.494 -1.534 1.00 1.44 H new ATOM 0 HB3 SER A2082 -6.924 14.108 -1.473 1.00 1.44 H new ATOM 0 HG SER A2082 -7.153 14.712 0.891 1.00 1.70 H new ATOM 541 N ILE A2083 -5.072 11.485 0.235 1.00 0.76 N ATOM 542 CA ILE A2083 -5.458 10.293 0.988 1.00 0.55 C ATOM 543 C ILE A2083 -4.951 10.398 2.422 1.00 0.43 C ATOM 544 O ILE A2083 -3.739 10.385 2.663 1.00 0.46 O ATOM 545 CB ILE A2083 -4.901 9.010 0.335 1.00 0.45 C ATOM 546 CG1 ILE A2083 -5.457 8.853 -1.080 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.221 7.786 1.186 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.798 8.185 -1.130 1.00 0.47 C ATOM 0 H ILE A2083 -4.328 11.335 -0.447 1.00 0.76 H new ATOM 0 HA ILE A2083 -6.546 10.233 0.985 1.00 0.55 H new ATOM 0 HB ILE A2083 -3.816 9.096 0.271 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -5.534 9.837 -1.542 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -4.751 8.275 -1.676 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -4.819 6.894 0.706 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -4.772 7.901 2.172 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.302 7.687 1.289 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -7.128 8.109 -2.166 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -6.724 7.187 -0.698 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -7.519 8.773 -0.562 1.00 0.47 H new ATOM 560 N SER A2084 -5.877 10.515 3.364 1.00 0.38 N ATOM 561 CA SER A2084 -5.520 10.693 4.763 1.00 0.32 C ATOM 562 C SER A2084 -4.989 9.393 5.364 1.00 0.29 C ATOM 563 O SER A2084 -5.643 8.352 5.310 1.00 0.31 O ATOM 564 CB SER A2084 -6.719 11.200 5.558 1.00 0.36 C ATOM 565 OG SER A2084 -7.233 12.398 4.991 1.00 0.42 O ATOM 0 H SER A2084 -6.881 10.490 3.184 1.00 0.38 H new ATOM 0 HA SER A2084 -4.726 11.438 4.818 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.498 10.438 5.575 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.425 11.379 6.592 1.00 0.36 H new ATOM 0 HG SER A2084 -8.002 12.704 5.515 1.00 0.42 H new ATOM 571 N PRO A2085 -3.787 9.461 5.951 1.00 0.29 N ATOM 572 CA PRO A2085 -3.066 8.292 6.478 1.00 0.28 C ATOM 573 C PRO A2085 -3.725 7.644 7.692 1.00 0.28 C ATOM 574 O PRO A2085 -3.620 6.431 7.884 1.00 0.33 O ATOM 575 CB PRO A2085 -1.718 8.882 6.887 1.00 0.32 C ATOM 576 CG PRO A2085 -2.027 10.305 7.187 1.00 0.36 C ATOM 577 CD PRO A2085 -3.021 10.705 6.148 1.00 0.36 C ATOM 0 HA PRO A2085 -3.025 7.495 5.735 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.305 8.371 7.757 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.983 8.793 6.087 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.436 10.418 8.191 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -1.131 10.924 7.137 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.656 11.524 6.486 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.538 11.035 5.228 1.00 0.36 H new ATOM 585 N ALA A2086 -4.380 8.451 8.517 1.00 0.30 N ATOM 586 CA ALA A2086 -4.952 7.962 9.769 1.00 0.36 C ATOM 587 C ALA A2086 -6.301 7.277 9.558 1.00 0.30 C ATOM 588 O ALA A2086 -6.800 6.589 10.450 1.00 0.28 O ATOM 589 CB ALA A2086 -5.090 9.100 10.765 1.00 0.47 C ATOM 0 H ALA A2086 -4.529 9.445 8.344 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.267 7.214 10.168 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.518 8.721 11.693 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -4.108 9.529 10.966 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.744 9.868 10.352 1.00 0.47 H new ATOM 595 N THR A2087 -6.885 7.456 8.385 1.00 0.32 N ATOM 596 CA THR A2087 -8.185 6.876 8.097 1.00 0.28 C ATOM 597 C THR A2087 -8.035 5.429 7.644 1.00 0.24 C ATOM 598 O THR A2087 -7.022 5.047 7.065 1.00 0.28 O ATOM 599 CB THR A2087 -8.914 7.668 7.004 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.674 9.069 7.192 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.411 7.400 7.039 1.00 0.34 C ATOM 0 H THR A2087 -6.481 7.996 7.620 1.00 0.32 H new ATOM 0 HA THR A2087 -8.771 6.915 9.015 1.00 0.28 H new ATOM 0 HB THR A2087 -8.532 7.349 6.034 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.260 9.584 6.598 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.902 7.974 6.253 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.594 6.337 6.880 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.811 7.696 8.009 1.00 0.34 H new ATOM 609 N ALA A2088 -9.054 4.640 7.905 1.00 0.23 N ATOM 610 CA ALA A2088 -9.052 3.232 7.545 1.00 0.25 C ATOM 611 C ALA A2088 -9.639 3.057 6.159 1.00 0.22 C ATOM 612 O ALA A2088 -10.596 3.743 5.805 1.00 0.25 O ATOM 613 CB ALA A2088 -9.855 2.431 8.558 1.00 0.32 C ATOM 0 H ALA A2088 -9.906 4.951 8.371 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.025 2.866 7.546 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -9.846 1.378 8.278 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.412 2.547 9.547 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -10.883 2.793 8.576 1.00 0.32 H new ATOM 619 N PHE A2089 -9.067 2.140 5.378 1.00 0.21 N ATOM 620 CA PHE A2089 -9.555 1.864 4.021 1.00 0.20 C ATOM 621 C PHE A2089 -11.046 1.585 4.018 1.00 0.24 C ATOM 622 O PHE A2089 -11.743 1.897 3.055 1.00 0.26 O ATOM 623 CB PHE A2089 -8.810 0.691 3.394 1.00 0.21 C ATOM 624 CG PHE A2089 -7.442 1.058 2.928 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.260 2.090 2.023 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.338 0.388 3.404 1.00 0.44 C ATOM 627 CE1 PHE A2089 -5.995 2.445 1.608 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.073 0.734 2.988 1.00 0.48 C ATOM 629 CZ PHE A2089 -4.901 1.765 2.091 1.00 0.34 C ATOM 0 H PHE A2089 -8.266 1.575 5.659 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.366 2.757 3.425 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.736 -0.117 4.121 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.386 0.310 2.551 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.118 2.622 1.639 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.466 -0.418 4.112 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -5.863 3.255 0.906 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.215 0.197 3.365 1.00 0.48 H new ATOM 0 HZ PHE A2089 -3.908 2.039 1.767 1.00 0.34 H new ATOM 639 N LYS A2090 -11.513 1.001 5.107 1.00 0.30 N ATOM 640 CA LYS A2090 -12.929 0.790 5.333 1.00 0.40 C ATOM 641 C LYS A2090 -13.704 2.081 5.101 1.00 0.37 C ATOM 642 O LYS A2090 -14.623 2.138 4.285 1.00 0.47 O ATOM 643 CB LYS A2090 -13.122 0.336 6.754 1.00 0.55 C ATOM 644 CG LYS A2090 -14.228 -0.672 6.894 1.00 1.19 C ATOM 645 CD LYS A2090 -14.462 -0.970 8.343 1.00 1.79 C ATOM 646 CE LYS A2090 -13.312 -1.762 8.948 1.00 2.14 C ATOM 647 NZ LYS A2090 -13.516 -2.025 10.396 1.00 2.91 N ATOM 0 H LYS A2090 -10.918 0.659 5.861 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.300 0.036 4.639 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.192 -0.097 7.123 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.342 1.200 7.381 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -15.142 -0.288 6.440 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -13.968 -1.587 6.362 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -14.588 -0.036 8.891 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -15.389 -1.532 8.454 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -13.207 -2.709 8.419 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -12.381 -1.213 8.807 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -12.710 -2.567 10.767 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -13.591 -1.122 10.906 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -14.391 -2.571 10.530 1.00 2.91 H new ATOM 661 N ASP A2091 -13.295 3.121 5.813 1.00 0.33 N ATOM 662 CA ASP A2091 -13.921 4.431 5.719 1.00 0.35 C ATOM 663 C ASP A2091 -13.618 5.107 4.374 1.00 0.33 C ATOM 664 O ASP A2091 -14.417 5.907 3.881 1.00 0.39 O ATOM 665 CB ASP A2091 -13.434 5.308 6.872 1.00 0.38 C ATOM 666 CG ASP A2091 -14.252 6.570 7.038 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.834 7.631 6.533 1.00 1.88 O ATOM 668 OD2 ASP A2091 -15.323 6.508 7.680 1.00 1.04 O ATOM 0 H ASP A2091 -12.518 3.080 6.473 1.00 0.33 H new ATOM 0 HA ASP A2091 -15.001 4.301 5.784 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.469 4.734 7.798 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.391 5.577 6.702 1.00 0.38 H new ATOM 673 N LEU A2092 -12.465 4.791 3.777 1.00 0.30 N ATOM 674 CA LEU A2092 -12.102 5.354 2.473 1.00 0.32 C ATOM 675 C LEU A2092 -13.036 4.855 1.368 1.00 0.30 C ATOM 676 O LEU A2092 -13.144 5.483 0.314 1.00 0.36 O ATOM 677 CB LEU A2092 -10.651 5.017 2.085 1.00 0.34 C ATOM 678 CG LEU A2092 -9.554 5.971 2.593 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.054 7.401 2.664 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.013 5.530 3.938 1.00 0.61 C ATOM 0 H LEU A2092 -11.773 4.154 4.171 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.201 6.435 2.571 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.426 4.015 2.451 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.591 4.979 0.997 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.737 5.932 1.872 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.255 8.048 3.026 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.364 7.728 1.671 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -10.903 7.456 3.346 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.241 6.226 4.266 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -9.822 5.515 4.668 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.586 4.531 3.849 1.00 0.61 H new ATOM 692 N GLY A2093 -13.698 3.728 1.609 1.00 0.26 N ATOM 693 CA GLY A2093 -14.636 3.198 0.635 1.00 0.26 C ATOM 694 C GLY A2093 -14.285 1.789 0.214 1.00 0.22 C ATOM 695 O GLY A2093 -15.059 1.123 -0.475 1.00 0.27 O ATOM 0 H GLY A2093 -13.602 3.173 2.459 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.641 3.210 1.057 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.651 3.845 -0.242 1.00 0.26 H new ATOM 699 N ILE A2094 -13.111 1.344 0.634 1.00 0.22 N ATOM 700 CA ILE A2094 -12.611 0.018 0.315 1.00 0.19 C ATOM 701 C ILE A2094 -13.518 -1.071 0.869 1.00 0.18 C ATOM 702 O ILE A2094 -13.904 -1.042 2.040 1.00 0.22 O ATOM 703 CB ILE A2094 -11.187 -0.159 0.887 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.208 0.753 0.154 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.719 -1.612 0.814 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.003 0.374 -1.292 1.00 0.28 C ATOM 0 H ILE A2094 -12.475 1.897 1.209 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.590 -0.076 -0.771 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.218 0.120 1.940 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.572 1.779 0.205 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.247 0.730 0.668 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.713 -1.691 1.227 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.398 -2.242 1.389 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.712 -1.940 -0.225 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.296 1.064 -1.752 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.610 -0.641 -1.350 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -10.955 0.425 -1.820 1.00 0.28 H new ATOM 718 N ASP A2095 -13.864 -2.021 0.017 1.00 0.19 N ATOM 719 CA ASP A2095 -14.601 -3.196 0.447 1.00 0.26 C ATOM 720 C ASP A2095 -13.645 -4.366 0.529 1.00 0.21 C ATOM 721 O ASP A2095 -12.442 -4.190 0.409 1.00 0.23 O ATOM 722 CB ASP A2095 -15.735 -3.548 -0.520 1.00 0.40 C ATOM 723 CG ASP A2095 -16.778 -2.457 -0.644 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.494 -2.194 0.347 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.904 -1.871 -1.740 1.00 1.07 O ATOM 0 H ASP A2095 -13.645 -2.001 -0.979 1.00 0.19 H new ATOM 0 HA ASP A2095 -15.045 -2.980 1.419 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.313 -3.751 -1.504 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.218 -4.466 -0.184 1.00 0.40 H new ATOM 730 N SER A2096 -14.170 -5.558 0.700 1.00 0.30 N ATOM 731 CA SER A2096 -13.332 -6.743 0.677 1.00 0.35 C ATOM 732 C SER A2096 -12.930 -7.047 -0.757 1.00 0.30 C ATOM 733 O SER A2096 -11.883 -7.635 -1.025 1.00 0.38 O ATOM 734 CB SER A2096 -14.083 -7.925 1.282 1.00 0.51 C ATOM 735 OG SER A2096 -15.496 -7.725 1.077 1.00 0.85 O ATOM 0 H SER A2096 -15.162 -5.736 0.855 1.00 0.30 H new ATOM 0 HA SER A2096 -12.434 -6.566 1.269 1.00 0.35 H new ATOM 0 HB2 SER A2096 -13.761 -8.856 0.816 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.863 -8.008 2.346 1.00 0.51 H new ATOM 740 N LEU A2097 -13.774 -6.595 -1.666 1.00 0.29 N ATOM 741 CA LEU A2097 -13.595 -6.820 -3.091 1.00 0.35 C ATOM 742 C LEU A2097 -12.454 -5.976 -3.627 1.00 0.26 C ATOM 743 O LEU A2097 -11.545 -6.472 -4.281 1.00 0.35 O ATOM 744 CB LEU A2097 -14.891 -6.468 -3.811 1.00 0.50 C ATOM 745 CG LEU A2097 -16.123 -7.088 -3.185 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.394 -6.588 -3.842 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.016 -8.582 -3.282 1.00 1.65 C ATOM 0 H LEU A2097 -14.610 -6.057 -1.436 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.349 -7.868 -3.263 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -15.007 -5.384 -3.823 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.819 -6.793 -4.849 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.176 -6.793 -2.137 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.257 -7.054 -3.367 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.459 -5.506 -3.731 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.381 -6.844 -4.901 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -16.898 -9.040 -2.834 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -15.948 -8.875 -4.330 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.124 -8.918 -2.753 1.00 1.65 H new ATOM 759 N THR A2098 -12.507 -4.696 -3.335 1.00 0.19 N ATOM 760 CA THR A2098 -11.463 -3.782 -3.764 1.00 0.16 C ATOM 761 C THR A2098 -10.218 -3.891 -2.893 1.00 0.15 C ATOM 762 O THR A2098 -9.152 -3.392 -3.257 1.00 0.19 O ATOM 763 CB THR A2098 -11.973 -2.341 -3.792 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.945 -2.143 -2.753 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.578 -2.037 -5.152 1.00 0.27 C ATOM 0 H THR A2098 -13.260 -4.261 -2.802 1.00 0.19 H new ATOM 0 HA THR A2098 -11.182 -4.070 -4.777 1.00 0.16 H new ATOM 0 HB THR A2098 -11.139 -1.661 -3.619 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.489 -1.355 -2.960 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.940 -1.009 -5.168 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.820 -2.166 -5.925 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.408 -2.717 -5.341 1.00 0.27 H new ATOM 773 N ALA A2099 -10.354 -4.551 -1.751 1.00 0.15 N ATOM 774 CA ALA A2099 -9.218 -4.824 -0.883 1.00 0.19 C ATOM 775 C ALA A2099 -8.164 -5.652 -1.614 1.00 0.22 C ATOM 776 O ALA A2099 -6.965 -5.415 -1.472 1.00 0.29 O ATOM 777 CB ALA A2099 -9.673 -5.534 0.383 1.00 0.21 C ATOM 0 H ALA A2099 -11.244 -4.908 -1.404 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.767 -3.872 -0.602 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.811 -5.730 1.020 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.384 -4.904 0.918 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.151 -6.477 0.119 1.00 0.21 H new ATOM 783 N LEU A2100 -8.609 -6.617 -2.412 1.00 0.22 N ATOM 784 CA LEU A2100 -7.678 -7.443 -3.165 1.00 0.27 C ATOM 785 C LEU A2100 -7.085 -6.654 -4.331 1.00 0.26 C ATOM 786 O LEU A2100 -5.886 -6.723 -4.575 1.00 0.29 O ATOM 787 CB LEU A2100 -8.331 -8.760 -3.627 1.00 0.31 C ATOM 788 CG LEU A2100 -9.652 -8.646 -4.397 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.410 -8.485 -5.890 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.530 -9.859 -4.129 1.00 0.40 C ATOM 0 H LEU A2100 -9.594 -6.843 -2.552 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.858 -7.722 -2.503 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.616 -9.291 -4.256 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.503 -9.380 -2.747 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.169 -7.754 -4.044 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.366 -8.407 -6.407 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.826 -7.582 -6.069 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.864 -9.350 -6.265 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.464 -9.762 -4.683 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.010 -10.762 -4.449 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.746 -9.923 -3.063 1.00 0.40 H new ATOM 802 N GLU A2101 -7.918 -5.876 -5.015 1.00 0.24 N ATOM 803 CA GLU A2101 -7.470 -5.041 -6.125 1.00 0.26 C ATOM 804 C GLU A2101 -6.409 -4.042 -5.679 1.00 0.24 C ATOM 805 O GLU A2101 -5.441 -3.779 -6.397 1.00 0.27 O ATOM 806 CB GLU A2101 -8.667 -4.298 -6.696 1.00 0.29 C ATOM 807 CG GLU A2101 -9.731 -5.220 -7.244 1.00 0.35 C ATOM 808 CD GLU A2101 -9.348 -5.802 -8.589 1.00 0.50 C ATOM 809 OE1 GLU A2101 -9.692 -5.204 -9.629 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.717 -6.878 -8.610 1.00 0.56 O ATOM 0 H GLU A2101 -8.916 -5.806 -4.818 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.024 -5.683 -6.885 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.103 -3.672 -5.918 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.329 -3.631 -7.489 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -9.906 -6.030 -6.536 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.669 -4.673 -7.341 1.00 0.35 H new ATOM 817 N LEU A2102 -6.603 -3.476 -4.499 1.00 0.21 N ATOM 818 CA LEU A2102 -5.649 -2.545 -3.936 1.00 0.22 C ATOM 819 C LEU A2102 -4.287 -3.210 -3.761 1.00 0.24 C ATOM 820 O LEU A2102 -3.279 -2.728 -4.280 1.00 0.27 O ATOM 821 CB LEU A2102 -6.163 -2.041 -2.597 1.00 0.24 C ATOM 822 CG LEU A2102 -5.842 -0.584 -2.272 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.479 -0.210 -0.961 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.347 -0.347 -2.210 1.00 0.57 C ATOM 0 H LEU A2102 -7.419 -3.649 -3.912 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.531 -1.703 -4.619 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.245 -2.170 -2.572 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.749 -2.670 -1.809 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.244 0.042 -3.069 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -6.250 0.830 -0.729 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.559 -0.337 -1.032 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -6.090 -0.852 -0.171 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -4.154 0.700 -1.977 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.910 -0.978 -1.436 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.899 -0.593 -3.173 1.00 0.57 H new ATOM 836 N ARG A2103 -4.263 -4.333 -3.049 1.00 0.26 N ATOM 837 CA ARG A2103 -3.008 -5.024 -2.779 1.00 0.34 C ATOM 838 C ARG A2103 -2.431 -5.625 -4.060 1.00 0.35 C ATOM 839 O ARG A2103 -1.228 -5.884 -4.141 1.00 0.43 O ATOM 840 CB ARG A2103 -3.188 -6.107 -1.715 1.00 0.48 C ATOM 841 CG ARG A2103 -3.969 -7.307 -2.197 1.00 0.94 C ATOM 842 CD ARG A2103 -3.919 -8.449 -1.198 1.00 0.77 C ATOM 843 NE ARG A2103 -4.377 -9.705 -1.797 1.00 0.94 N ATOM 844 CZ ARG A2103 -5.587 -10.236 -1.608 1.00 1.48 C ATOM 845 NH1 ARG A2103 -6.484 -9.626 -0.841 1.00 2.43 N ATOM 846 NH2 ARG A2103 -5.900 -11.384 -2.193 1.00 1.60 N ATOM 0 H ARG A2103 -5.090 -4.780 -2.652 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.303 -4.287 -2.395 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -2.206 -6.436 -1.374 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -3.697 -5.676 -0.853 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -5.006 -7.020 -2.370 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -3.567 -7.642 -3.153 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -2.899 -8.570 -0.832 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -4.541 -8.208 -0.336 1.00 0.77 H new ATOM 0 HE ARG A2103 -3.726 -10.208 -2.400 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -6.251 -8.742 -0.389 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -7.405 -10.042 -0.704 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -5.217 -11.858 -2.785 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -6.823 -11.793 -2.051 1.00 1.60 H new ATOM 860 N ASN A2104 -3.293 -5.846 -5.053 1.00 0.33 N ATOM 861 CA ASN A2104 -2.853 -6.271 -6.376 1.00 0.38 C ATOM 862 C ASN A2104 -1.896 -5.237 -6.951 1.00 0.39 C ATOM 863 O ASN A2104 -0.819 -5.575 -7.444 1.00 0.48 O ATOM 864 CB ASN A2104 -4.051 -6.458 -7.318 1.00 0.39 C ATOM 865 CG ASN A2104 -4.765 -7.784 -7.124 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.168 -8.770 -6.692 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.046 -7.823 -7.464 1.00 0.44 N ATOM 0 H ASN A2104 -4.303 -5.736 -4.962 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.342 -7.229 -6.282 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.760 -5.645 -7.160 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.708 -6.385 -8.350 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.572 -8.692 -7.371 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.505 -6.984 -7.818 1.00 0.44 H new ATOM 874 N THR A2105 -2.285 -3.973 -6.855 1.00 0.33 N ATOM 875 CA THR A2105 -1.452 -2.879 -7.321 1.00 0.39 C ATOM 876 C THR A2105 -0.211 -2.740 -6.447 1.00 0.42 C ATOM 877 O THR A2105 0.902 -2.631 -6.953 1.00 0.51 O ATOM 878 CB THR A2105 -2.227 -1.547 -7.313 1.00 0.41 C ATOM 879 OG1 THR A2105 -3.517 -1.732 -7.913 1.00 0.46 O ATOM 880 CG2 THR A2105 -1.461 -0.466 -8.068 1.00 0.51 C ATOM 0 H THR A2105 -3.177 -3.682 -6.456 1.00 0.33 H new ATOM 0 HA THR A2105 -1.154 -3.109 -8.344 1.00 0.39 H new ATOM 0 HB THR A2105 -2.347 -1.227 -6.278 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.007 -0.883 -7.904 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.029 0.464 -8.048 1.00 0.51 H new ATOM 0 HG22 THR A2105 -0.492 -0.309 -7.595 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.314 -0.779 -9.102 1.00 0.51 H new ATOM 888 N LEU A2106 -0.414 -2.775 -5.131 1.00 0.42 N ATOM 889 CA LEU A2106 0.677 -2.600 -4.175 1.00 0.55 C ATOM 890 C LEU A2106 1.787 -3.620 -4.404 1.00 0.54 C ATOM 891 O LEU A2106 2.959 -3.264 -4.490 1.00 0.56 O ATOM 892 CB LEU A2106 0.153 -2.719 -2.743 1.00 0.74 C ATOM 893 CG LEU A2106 -0.970 -1.748 -2.381 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.410 -1.955 -0.943 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.528 -0.310 -2.601 1.00 0.81 C ATOM 0 H LEU A2106 -1.327 -2.924 -4.702 1.00 0.42 H new ATOM 0 HA LEU A2106 1.092 -1.604 -4.327 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.203 -3.737 -2.586 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.983 -2.563 -2.055 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.819 -1.949 -3.034 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -2.210 -1.255 -0.703 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.771 -2.976 -0.816 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.565 -1.783 -0.276 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.342 0.365 -2.337 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.338 -0.096 -1.975 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -0.263 -0.167 -3.649 1.00 0.81 H new ATOM 907 N THR A2107 1.408 -4.883 -4.520 1.00 0.56 N ATOM 908 CA THR A2107 2.371 -5.953 -4.720 1.00 0.62 C ATOM 909 C THR A2107 3.069 -5.828 -6.075 1.00 0.60 C ATOM 910 O THR A2107 4.287 -5.985 -6.178 1.00 0.64 O ATOM 911 CB THR A2107 1.675 -7.325 -4.628 1.00 0.69 C ATOM 912 OG1 THR A2107 1.093 -7.491 -3.329 1.00 0.73 O ATOM 913 CG2 THR A2107 2.649 -8.459 -4.912 1.00 0.81 C ATOM 0 H THR A2107 0.437 -5.192 -4.479 1.00 0.56 H new ATOM 0 HA THR A2107 3.122 -5.871 -3.934 1.00 0.62 H new ATOM 0 HB THR A2107 0.890 -7.358 -5.384 1.00 0.69 H new ATOM 0 HG1 THR A2107 0.226 -7.035 -3.298 1.00 0.73 H new ATOM 0 HG21 THR A2107 2.127 -9.413 -4.839 1.00 0.81 H new ATOM 0 HG22 THR A2107 3.058 -8.345 -5.916 1.00 0.81 H new ATOM 0 HG23 THR A2107 3.460 -8.433 -4.185 1.00 0.81 H new ATOM 921 N HIS A2108 2.297 -5.517 -7.104 1.00 0.58 N ATOM 922 CA HIS A2108 2.827 -5.456 -8.458 1.00 0.62 C ATOM 923 C HIS A2108 3.731 -4.241 -8.627 1.00 0.60 C ATOM 924 O HIS A2108 4.678 -4.261 -9.410 1.00 0.68 O ATOM 925 CB HIS A2108 1.684 -5.397 -9.468 1.00 0.68 C ATOM 926 CG HIS A2108 2.054 -5.924 -10.816 1.00 1.20 C ATOM 927 ND1 HIS A2108 1.946 -5.189 -11.976 1.00 1.74 N ATOM 928 CD2 HIS A2108 2.518 -7.139 -11.184 1.00 2.24 C ATOM 929 CE1 HIS A2108 2.328 -5.930 -12.999 1.00 2.48 C ATOM 930 NE2 HIS A2108 2.681 -7.119 -12.547 1.00 2.81 N ATOM 0 H HIS A2108 1.303 -5.303 -7.028 1.00 0.58 H new ATOM 0 HA HIS A2108 3.416 -6.356 -8.637 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.839 -5.968 -9.083 1.00 0.68 H new ATOM 0 HB3 HIS A2108 1.351 -4.364 -9.569 1.00 0.68 H new ATOM 0 HD2 HIS A2108 2.723 -7.972 -10.527 1.00 2.24 H new ATOM 0 HE1 HIS A2108 2.348 -5.616 -14.032 1.00 2.48 H new ATOM 0 HE2 HIS A2108 3.019 -7.895 -13.116 1.00 2.81 H new ATOM 939 N ASN A2109 3.435 -3.193 -7.875 1.00 0.57 N ATOM 940 CA ASN A2109 4.174 -1.941 -7.966 1.00 0.64 C ATOM 941 C ASN A2109 5.456 -2.008 -7.147 1.00 0.66 C ATOM 942 O ASN A2109 6.318 -1.139 -7.254 1.00 0.85 O ATOM 943 CB ASN A2109 3.310 -0.789 -7.458 1.00 0.82 C ATOM 944 CG ASN A2109 3.464 0.474 -8.280 1.00 1.61 C ATOM 945 OD1 ASN A2109 4.354 1.291 -8.038 1.00 1.85 O ATOM 946 ND2 ASN A2109 2.579 0.646 -9.249 1.00 2.60 N ATOM 0 H ASN A2109 2.681 -3.184 -7.188 1.00 0.57 H new ATOM 0 HA ASN A2109 4.433 -1.774 -9.011 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.264 -1.096 -7.466 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.572 -0.576 -6.422 1.00 0.82 H new ATOM 0 HD21 ASN A2109 2.617 1.482 -9.832 1.00 2.60 H new ATOM 0 HD22 ASN A2109 1.859 -0.058 -9.413 1.00 2.60 H new ATOM 953 N THR A2110 5.580 -3.038 -6.322 1.00 0.65 N ATOM 954 CA THR A2110 6.734 -3.171 -5.452 1.00 0.78 C ATOM 955 C THR A2110 7.688 -4.258 -5.936 1.00 0.81 C ATOM 956 O THR A2110 8.906 -4.080 -5.915 1.00 1.02 O ATOM 957 CB THR A2110 6.303 -3.477 -4.006 1.00 0.83 C ATOM 958 OG1 THR A2110 5.356 -4.550 -3.999 1.00 0.72 O ATOM 959 CG2 THR A2110 5.681 -2.257 -3.351 1.00 1.03 C ATOM 0 H THR A2110 4.896 -3.790 -6.239 1.00 0.65 H new ATOM 0 HA THR A2110 7.258 -2.216 -5.478 1.00 0.78 H new ATOM 0 HB THR A2110 7.191 -3.761 -3.442 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.463 -4.199 -4.197 1.00 0.72 H new ATOM 0 HG21 THR A2110 5.386 -2.502 -2.331 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.407 -1.444 -3.333 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.803 -1.948 -3.918 1.00 1.03 H new ATOM 967 N GLY A2111 7.125 -5.371 -6.392 1.00 0.72 N ATOM 968 CA GLY A2111 7.938 -6.494 -6.821 1.00 0.86 C ATOM 969 C GLY A2111 7.939 -7.608 -5.793 1.00 0.88 C ATOM 970 O GLY A2111 8.811 -8.479 -5.801 1.00 1.05 O ATOM 0 H GLY A2111 6.119 -5.516 -6.472 1.00 0.72 H new ATOM 0 HA2 GLY A2111 7.561 -6.875 -7.770 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.960 -6.158 -6.995 1.00 0.86 H new ATOM 974 N LEU A2112 6.962 -7.566 -4.900 1.00 0.84 N ATOM 975 CA LEU A2112 6.813 -8.567 -3.853 1.00 0.92 C ATOM 976 C LEU A2112 5.908 -9.699 -4.309 1.00 0.80 C ATOM 977 O LEU A2112 5.555 -9.799 -5.488 1.00 0.97 O ATOM 978 CB LEU A2112 6.211 -7.918 -2.610 1.00 1.21 C ATOM 979 CG LEU A2112 6.976 -6.720 -2.056 1.00 1.05 C ATOM 980 CD1 LEU A2112 6.125 -5.999 -1.035 1.00 1.45 C ATOM 981 CD2 LEU A2112 8.289 -7.156 -1.430 1.00 1.34 C ATOM 0 H LEU A2112 6.249 -6.837 -4.880 1.00 0.84 H new ATOM 0 HA LEU A2112 7.798 -8.975 -3.626 1.00 0.92 H new ATOM 0 HB2 LEU A2112 5.195 -7.601 -2.844 1.00 1.21 H new ATOM 0 HB3 LEU A2112 6.137 -8.673 -1.827 1.00 1.21 H new ATOM 0 HG LEU A2112 7.203 -6.043 -2.879 1.00 1.05 H new ATOM 0 HD11 LEU A2112 6.675 -5.144 -0.642 1.00 1.45 H new ATOM 0 HD12 LEU A2112 5.205 -5.653 -1.507 1.00 1.45 H new ATOM 0 HD13 LEU A2112 5.880 -6.680 -0.219 1.00 1.45 H new ATOM 0 HD21 LEU A2112 8.815 -6.283 -1.043 1.00 1.34 H new ATOM 0 HD22 LEU A2112 8.090 -7.851 -0.614 1.00 1.34 H new ATOM 0 HD23 LEU A2112 8.906 -7.647 -2.183 1.00 1.34 H new ATOM 993 N ASP A2113 5.544 -10.546 -3.362 1.00 0.77 N ATOM 994 CA ASP A2113 4.654 -11.662 -3.623 1.00 0.77 C ATOM 995 C ASP A2113 3.307 -11.414 -2.958 1.00 0.92 C ATOM 996 O ASP A2113 3.251 -11.018 -1.793 1.00 1.14 O ATOM 997 CB ASP A2113 5.283 -12.949 -3.106 1.00 0.83 C ATOM 998 CG ASP A2113 4.470 -14.178 -3.462 1.00 0.91 C ATOM 999 OD1 ASP A2113 3.728 -14.675 -2.589 1.00 0.90 O ATOM 1000 OD2 ASP A2113 4.564 -14.649 -4.616 1.00 1.18 O ATOM 0 H ASP A2113 5.856 -10.479 -2.393 1.00 0.77 H new ATOM 0 HA ASP A2113 4.495 -11.760 -4.697 1.00 0.77 H new ATOM 0 HB2 ASP A2113 6.287 -13.050 -3.518 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.388 -12.888 -2.023 1.00 0.83 H new ATOM 1005 N LEU A2114 2.235 -11.659 -3.705 1.00 1.05 N ATOM 1006 CA LEU A2114 0.885 -11.262 -3.309 1.00 1.34 C ATOM 1007 C LEU A2114 0.365 -12.038 -2.096 1.00 1.00 C ATOM 1008 O LEU A2114 0.089 -13.235 -2.184 1.00 1.04 O ATOM 1009 CB LEU A2114 -0.068 -11.461 -4.489 1.00 1.98 C ATOM 1010 CG LEU A2114 -1.508 -11.014 -4.246 1.00 2.33 C ATOM 1011 CD1 LEU A2114 -1.573 -9.512 -4.029 1.00 2.71 C ATOM 1012 CD2 LEU A2114 -2.388 -11.424 -5.410 1.00 2.95 C ATOM 0 H LEU A2114 2.276 -12.139 -4.604 1.00 1.05 H new ATOM 0 HA LEU A2114 0.930 -10.212 -3.020 1.00 1.34 H new ATOM 0 HB2 LEU A2114 0.324 -10.916 -5.348 1.00 1.98 H new ATOM 0 HB3 LEU A2114 -0.073 -12.518 -4.757 1.00 1.98 H new ATOM 0 HG LEU A2114 -1.875 -11.504 -3.344 1.00 2.33 H new ATOM 0 HD11 LEU A2114 -2.607 -9.214 -3.858 1.00 2.71 H new ATOM 0 HD12 LEU A2114 -0.969 -9.243 -3.162 1.00 2.71 H new ATOM 0 HD13 LEU A2114 -1.189 -9.000 -4.911 1.00 2.71 H new ATOM 0 HD21 LEU A2114 -3.412 -11.099 -5.224 1.00 2.95 H new ATOM 0 HD22 LEU A2114 -2.021 -10.960 -6.325 1.00 2.95 H new ATOM 0 HD23 LEU A2114 -2.365 -12.508 -5.519 1.00 2.95 H new ATOM 1024 N PRO A2115 0.237 -11.362 -0.941 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.393 -11.926 0.241 1.00 0.64 C ATOM 1026 C PRO A2115 -1.884 -11.610 0.296 1.00 0.57 C ATOM 1027 O PRO A2115 -2.276 -10.445 0.230 1.00 0.58 O ATOM 1028 CB PRO A2115 0.326 -11.217 1.380 1.00 0.76 C ATOM 1029 CG PRO A2115 0.733 -9.887 0.822 1.00 0.98 C ATOM 1030 CD PRO A2115 0.701 -9.989 -0.689 1.00 1.10 C ATOM 0 HA PRO A2115 -0.319 -13.013 0.271 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -0.327 -11.098 2.244 1.00 0.76 H new ATOM 0 HB3 PRO A2115 1.194 -11.786 1.713 1.00 0.76 H new ATOM 0 HG2 PRO A2115 0.056 -9.105 1.166 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.732 -9.618 1.166 1.00 0.98 H new ATOM 0 HD2 PRO A2115 0.026 -9.253 -1.125 1.00 1.10 H new ATOM 0 HD3 PRO A2115 1.686 -9.814 -1.122 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.739 -12.626 0.440 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.187 -12.421 0.529 1.00 0.62 C ATOM 1040 C PRO A2116 -4.589 -11.703 1.817 1.00 0.58 C ATOM 1041 O PRO A2116 -5.728 -11.266 1.971 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.756 -13.841 0.503 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.645 -14.706 0.988 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.373 -14.051 0.527 1.00 0.63 C ATOM 0 HA PRO A2116 -4.560 -11.790 -0.278 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.633 -13.927 1.144 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -5.067 -14.124 -0.503 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -3.666 -14.794 2.074 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.732 -15.715 0.584 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -1.558 -14.215 1.232 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -2.045 -14.442 -0.436 1.00 0.63 H new ATOM 1052 N THR A2117 -3.631 -11.556 2.720 1.00 0.54 N ATOM 1053 CA THR A2117 -3.892 -11.004 4.039 1.00 0.59 C ATOM 1054 C THR A2117 -3.465 -9.543 4.135 1.00 0.50 C ATOM 1055 O THR A2117 -3.587 -8.923 5.189 1.00 0.54 O ATOM 1056 CB THR A2117 -3.166 -11.829 5.112 1.00 0.73 C ATOM 1057 OG1 THR A2117 -1.872 -12.209 4.625 1.00 0.74 O ATOM 1058 CG2 THR A2117 -3.965 -13.069 5.470 1.00 0.86 C ATOM 0 H THR A2117 -2.657 -11.814 2.560 1.00 0.54 H new ATOM 0 HA THR A2117 -4.968 -11.051 4.207 1.00 0.59 H new ATOM 0 HB THR A2117 -3.058 -11.220 6.009 1.00 0.73 H new ATOM 0 HG1 THR A2117 -1.406 -12.734 5.309 1.00 0.74 H new ATOM 0 HG21 THR A2117 -3.432 -13.638 6.232 1.00 0.86 H new ATOM 0 HG22 THR A2117 -4.941 -12.774 5.854 1.00 0.86 H new ATOM 0 HG23 THR A2117 -4.096 -13.686 4.581 1.00 0.86 H new ATOM 1066 N LEU A2118 -2.983 -9.004 3.021 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.447 -7.645 2.965 1.00 0.45 C ATOM 1068 C LEU A2118 -3.400 -6.624 3.599 1.00 0.41 C ATOM 1069 O LEU A2118 -3.119 -6.075 4.665 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.169 -7.287 1.502 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.126 -6.196 1.253 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.673 -4.819 1.570 1.00 0.70 C ATOM 1073 CD2 LEU A2118 0.125 -6.472 2.058 1.00 0.65 C ATOM 0 H LEU A2118 -2.952 -9.496 2.128 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.523 -7.610 3.542 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -1.847 -8.191 0.985 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.107 -6.974 1.043 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.873 -6.211 0.193 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.904 -4.070 1.381 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.539 -4.617 0.939 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -1.970 -4.778 2.618 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.858 -5.688 1.871 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.122 -6.492 3.119 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.541 -7.436 1.764 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.530 -6.383 2.943 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.503 -5.406 3.425 1.00 0.40 C ATOM 1087 C ILE A2119 -6.311 -5.991 4.580 1.00 0.42 C ATOM 1088 O ILE A2119 -6.949 -5.272 5.344 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.457 -4.972 2.285 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.653 -4.485 1.075 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.419 -3.884 2.752 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.841 -3.236 1.336 1.00 0.33 C ATOM 0 H ILE A2119 -4.796 -6.850 2.076 1.00 0.38 H new ATOM 0 HA ILE A2119 -4.959 -4.529 3.776 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.047 -5.841 1.993 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -4.982 -5.281 0.754 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.339 -4.294 0.250 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -8.075 -3.601 1.929 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.018 -4.260 3.581 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.852 -3.013 3.080 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.302 -2.957 0.431 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.507 -2.423 1.627 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.129 -3.426 2.139 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.252 -7.307 4.713 1.00 0.46 N ATOM 1105 CA PHE A2120 -6.980 -8.011 5.752 1.00 0.53 C ATOM 1106 C PHE A2120 -6.356 -7.741 7.115 1.00 0.52 C ATOM 1107 O PHE A2120 -7.055 -7.606 8.120 1.00 0.60 O ATOM 1108 CB PHE A2120 -6.968 -9.516 5.469 1.00 0.61 C ATOM 1109 CG PHE A2120 -7.813 -9.949 4.296 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -8.370 -11.218 4.271 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -8.056 -9.098 3.227 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -9.150 -11.628 3.208 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.835 -9.504 2.162 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.383 -10.770 2.153 1.00 3.43 C ATOM 0 H PHE A2120 -5.700 -7.913 4.106 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.009 -7.652 5.759 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -5.939 -9.829 5.292 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -7.313 -10.041 6.360 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -8.192 -11.895 5.094 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -7.630 -8.105 3.228 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -9.577 -12.620 3.202 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -9.015 -8.831 1.337 1.00 3.49 H new ATOM 0 HZ PHE A2120 -9.994 -11.089 1.321 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.035 -7.666 7.139 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.300 -7.484 8.376 1.00 0.49 C ATOM 1126 C ASP A2121 -3.959 -6.027 8.634 1.00 0.45 C ATOM 1127 O ASP A2121 -3.905 -5.593 9.784 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.006 -8.291 8.345 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.213 -9.765 8.614 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -4.105 -10.110 9.420 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -2.464 -10.584 8.040 1.00 2.00 O ATOM 0 H ASP A2121 -4.448 -7.729 6.307 1.00 0.48 H new ATOM 0 HA ASP A2121 -4.948 -7.833 9.180 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -2.534 -8.170 7.370 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.316 -7.887 9.086 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.714 -5.269 7.574 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.209 -3.908 7.736 1.00 0.37 C ATOM 1138 C HIS A2122 -3.966 -2.916 6.866 1.00 0.34 C ATOM 1139 O HIS A2122 -3.360 -2.306 5.987 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.717 -3.812 7.349 1.00 0.35 C ATOM 1141 CG HIS A2122 -0.928 -5.076 7.522 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.308 -5.423 8.699 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.657 -6.076 6.646 1.00 0.51 C ATOM 1144 CE1 HIS A2122 0.310 -6.577 8.546 1.00 0.71 C ATOM 1145 NE2 HIS A2122 0.113 -6.996 7.310 1.00 0.63 N ATOM 0 H HIS A2122 -3.853 -5.564 6.608 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.347 -3.663 8.789 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.648 -3.500 6.307 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.253 -3.028 7.948 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -0.986 -6.136 5.619 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.881 -7.093 9.304 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.475 -7.863 6.913 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.278 -2.706 7.044 1.00 0.36 N ATOM 1155 CA PRO A2123 -5.931 -1.700 6.241 1.00 0.34 C ATOM 1156 C PRO A2123 -5.722 -0.307 6.825 1.00 0.32 C ATOM 1157 O PRO A2123 -6.374 0.090 7.791 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.403 -2.110 6.314 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.550 -2.836 7.617 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.186 -3.371 7.991 1.00 0.41 C ATOM 0 HA PRO A2123 -5.546 -1.647 5.223 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -8.056 -1.238 6.274 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.675 -2.750 5.475 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -7.925 -2.165 8.390 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.270 -3.649 7.524 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -5.932 -3.133 9.024 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.141 -4.456 7.894 1.00 0.41 H new ATOM 1168 N THR A2124 -4.824 0.435 6.193 1.00 0.27 N ATOM 1169 CA THR A2124 -4.584 1.845 6.473 1.00 0.23 C ATOM 1170 C THR A2124 -3.515 2.360 5.508 1.00 0.22 C ATOM 1171 O THR A2124 -2.574 1.624 5.204 1.00 0.26 O ATOM 1172 CB THR A2124 -4.138 2.124 7.929 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.938 0.901 8.653 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.165 2.972 8.657 1.00 0.29 C ATOM 0 H THR A2124 -4.227 0.065 5.453 1.00 0.27 H new ATOM 0 HA THR A2124 -5.533 2.365 6.338 1.00 0.23 H new ATOM 0 HB THR A2124 -3.194 2.666 7.879 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.655 1.105 9.569 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.829 3.154 9.678 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.284 3.924 8.139 1.00 0.29 H new ATOM 0 HG23 THR A2124 -6.121 2.448 8.678 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.619 3.596 5.007 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.639 4.130 4.053 1.00 0.18 C ATOM 1184 C PRO A2125 -1.229 4.153 4.642 1.00 0.17 C ATOM 1185 O PRO A2125 -0.298 3.558 4.089 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.136 5.552 3.778 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.572 5.543 4.180 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.673 4.567 5.317 1.00 0.24 C ATOM 0 HA PRO A2125 -2.566 3.520 3.153 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.570 6.286 4.352 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -3.022 5.813 2.726 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.898 6.537 4.488 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.209 5.242 3.348 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.508 5.050 6.280 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.656 4.097 5.361 1.00 0.24 H new ATOM 1196 N HIS A2126 -1.093 4.813 5.788 1.00 0.23 N ATOM 1197 CA HIS A2126 0.195 4.946 6.462 1.00 0.31 C ATOM 1198 C HIS A2126 0.731 3.593 6.923 1.00 0.29 C ATOM 1199 O HIS A2126 1.931 3.333 6.839 1.00 0.32 O ATOM 1200 CB HIS A2126 0.055 5.891 7.659 1.00 0.45 C ATOM 1201 CG HIS A2126 1.290 6.019 8.500 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.425 6.682 8.087 1.00 0.65 N ATOM 1203 CD2 HIS A2126 1.561 5.556 9.743 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.337 6.620 9.037 1.00 0.77 C ATOM 1205 NE2 HIS A2126 2.839 5.944 10.052 1.00 0.80 N ATOM 0 H HIS A2126 -1.866 5.268 6.273 1.00 0.23 H new ATOM 0 HA HIS A2126 0.909 5.359 5.749 1.00 0.31 H new ATOM 0 HB2 HIS A2126 -0.225 6.879 7.294 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.763 5.540 8.289 1.00 0.45 H new ATOM 0 HD2 HIS A2126 0.894 4.987 10.374 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.326 7.051 8.991 1.00 0.77 H new ATOM 0 HE2 HIS A2126 3.325 5.742 10.926 1.00 0.80 H new ATOM 1214 N ALA A2127 -0.159 2.744 7.416 1.00 0.28 N ATOM 1215 CA ALA A2127 0.233 1.445 7.945 1.00 0.29 C ATOM 1216 C ALA A2127 0.861 0.573 6.869 1.00 0.26 C ATOM 1217 O ALA A2127 1.896 -0.057 7.091 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.962 0.745 8.556 1.00 0.34 C ATOM 0 H ALA A2127 -1.161 2.932 7.461 1.00 0.28 H new ATOM 0 HA ALA A2127 0.982 1.612 8.719 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.655 -0.225 8.947 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.364 1.353 9.367 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.729 0.602 7.794 1.00 0.34 H new ATOM 1224 N LEU A2128 0.232 0.542 5.699 1.00 0.22 N ATOM 1225 CA LEU A2128 0.767 -0.205 4.572 1.00 0.21 C ATOM 1226 C LEU A2128 2.150 0.301 4.191 1.00 0.21 C ATOM 1227 O LEU A2128 3.020 -0.489 3.839 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.166 -0.124 3.368 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.464 -0.912 3.506 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.265 -0.829 2.223 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.169 -2.362 3.858 1.00 0.64 C ATOM 0 H LEU A2128 -0.646 1.025 5.509 1.00 0.22 H new ATOM 0 HA LEU A2128 0.849 -1.248 4.879 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.411 0.923 3.187 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.368 -0.483 2.488 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.054 -0.476 4.312 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.190 -1.396 2.334 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.502 0.213 2.009 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.681 -1.245 1.402 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.106 -2.911 3.953 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.563 -2.811 3.071 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.626 -2.404 4.802 1.00 0.64 H new ATOM 1243 N THR A2129 2.354 1.614 4.277 1.00 0.21 N ATOM 1244 CA THR A2129 3.657 2.199 3.989 1.00 0.24 C ATOM 1245 C THR A2129 4.735 1.526 4.820 1.00 0.25 C ATOM 1246 O THR A2129 5.799 1.178 4.318 1.00 0.33 O ATOM 1247 CB THR A2129 3.683 3.712 4.279 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.641 4.375 3.549 1.00 0.27 O ATOM 1249 CG2 THR A2129 5.035 4.311 3.911 1.00 0.32 C ATOM 0 H THR A2129 1.636 2.288 4.543 1.00 0.21 H new ATOM 0 HA THR A2129 3.848 2.043 2.927 1.00 0.24 H new ATOM 0 HB THR A2129 3.519 3.856 5.347 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.771 4.134 3.929 1.00 0.27 H new ATOM 0 HG21 THR A2129 5.030 5.380 4.124 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.818 3.828 4.496 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.226 4.154 2.849 1.00 0.32 H new ATOM 1257 N GLN A2130 4.424 1.323 6.082 1.00 0.25 N ATOM 1258 CA GLN A2130 5.353 0.723 7.021 1.00 0.28 C ATOM 1259 C GLN A2130 5.589 -0.746 6.684 1.00 0.23 C ATOM 1260 O GLN A2130 6.735 -1.188 6.577 1.00 0.22 O ATOM 1261 CB GLN A2130 4.794 0.856 8.434 1.00 0.38 C ATOM 1262 CG GLN A2130 4.301 2.257 8.764 1.00 0.52 C ATOM 1263 CD GLN A2130 5.350 3.118 9.439 1.00 1.39 C ATOM 1264 OE1 GLN A2130 5.474 3.113 10.664 1.00 2.22 O ATOM 1265 NE2 GLN A2130 6.088 3.889 8.656 1.00 1.90 N ATOM 0 H GLN A2130 3.521 1.568 6.488 1.00 0.25 H new ATOM 0 HA GLN A2130 6.309 1.242 6.956 1.00 0.28 H new ATOM 0 HB2 GLN A2130 3.971 0.152 8.558 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.566 0.574 9.149 1.00 0.38 H new ATOM 0 HG2 GLN A2130 3.976 2.746 7.846 1.00 0.52 H new ATOM 0 HG3 GLN A2130 3.428 2.184 9.413 1.00 0.52 H new ATOM 0 HE21 GLN A2130 5.955 3.865 7.645 1.00 1.90 H new ATOM 0 HE22 GLN A2130 6.789 4.507 9.064 1.00 1.90 H new ATOM 1274 N HIS A2131 4.500 -1.493 6.500 1.00 0.25 N ATOM 1275 CA HIS A2131 4.589 -2.911 6.153 1.00 0.27 C ATOM 1276 C HIS A2131 5.384 -3.098 4.874 1.00 0.26 C ATOM 1277 O HIS A2131 6.353 -3.856 4.834 1.00 0.30 O ATOM 1278 CB HIS A2131 3.195 -3.527 5.976 1.00 0.32 C ATOM 1279 CG HIS A2131 3.220 -4.964 5.528 1.00 0.40 C ATOM 1280 ND1 HIS A2131 3.726 -5.993 6.295 1.00 0.52 N ATOM 1281 CD2 HIS A2131 2.828 -5.532 4.361 1.00 0.42 C ATOM 1282 CE1 HIS A2131 3.649 -7.125 5.618 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.106 -6.872 4.443 1.00 0.53 N ATOM 0 H HIS A2131 3.547 -1.140 6.585 1.00 0.25 H new ATOM 0 HA HIS A2131 5.096 -3.418 6.974 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.655 -3.460 6.921 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.637 -2.938 5.248 1.00 0.32 H new ATOM 0 HD2 HIS A2131 2.379 -5.022 3.521 1.00 0.42 H new ATOM 0 HE1 HIS A2131 3.975 -8.093 5.968 1.00 0.59 H new ATOM 0 HE2 HIS A2131 2.923 -7.561 3.714 1.00 0.53 H new ATOM 1292 N LEU A2132 4.960 -2.402 3.833 1.00 0.27 N ATOM 1293 CA LEU A2132 5.604 -2.496 2.533 1.00 0.33 C ATOM 1294 C LEU A2132 7.055 -2.035 2.609 1.00 0.35 C ATOM 1295 O LEU A2132 7.925 -2.611 1.961 1.00 0.47 O ATOM 1296 CB LEU A2132 4.840 -1.691 1.476 1.00 0.36 C ATOM 1297 CG LEU A2132 3.640 -2.406 0.826 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.079 -3.696 0.159 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.545 -2.692 1.839 1.00 0.42 C ATOM 0 H LEU A2132 4.167 -1.761 3.863 1.00 0.27 H new ATOM 0 HA LEU A2132 5.592 -3.544 2.234 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.484 -0.769 1.936 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.538 -1.405 0.689 1.00 0.36 H new ATOM 0 HG LEU A2132 3.235 -1.735 0.068 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.216 -4.184 -0.293 1.00 0.48 H new ATOM 0 HD12 LEU A2132 4.816 -3.474 -0.613 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.521 -4.358 0.903 1.00 0.48 H new ATOM 0 HD21 LEU A2132 1.715 -3.197 1.345 1.00 0.42 H new ATOM 0 HD22 LEU A2132 2.939 -3.330 2.630 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.194 -1.754 2.270 1.00 0.42 H new ATOM 1311 N HIS A2133 7.324 -1.020 3.425 1.00 0.28 N ATOM 1312 CA HIS A2133 8.683 -0.509 3.569 1.00 0.34 C ATOM 1313 C HIS A2133 9.603 -1.592 4.115 1.00 0.38 C ATOM 1314 O HIS A2133 10.772 -1.673 3.736 1.00 0.55 O ATOM 1315 CB HIS A2133 8.698 0.722 4.476 1.00 0.36 C ATOM 1316 CG HIS A2133 10.063 1.287 4.715 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.603 1.451 5.969 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.993 1.737 3.845 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.805 1.979 5.864 1.00 0.67 C ATOM 1320 NE2 HIS A2133 12.071 2.162 4.583 1.00 0.63 N ATOM 0 H HIS A2133 6.626 -0.539 3.992 1.00 0.28 H new ATOM 0 HA HIS A2133 9.049 -0.213 2.586 1.00 0.34 H new ATOM 0 HB2 HIS A2133 8.069 1.494 4.033 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.252 0.459 5.435 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.905 1.759 2.769 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.462 2.221 6.686 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.933 2.554 4.205 1.00 0.63 H new ATOM 1329 N THR A2134 9.066 -2.427 4.989 1.00 0.32 N ATOM 1330 CA THR A2134 9.821 -3.533 5.544 1.00 0.43 C ATOM 1331 C THR A2134 9.995 -4.640 4.504 1.00 0.51 C ATOM 1332 O THR A2134 11.064 -5.226 4.387 1.00 0.66 O ATOM 1333 CB THR A2134 9.125 -4.105 6.792 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.702 -3.034 7.648 1.00 0.59 O ATOM 1335 CG2 THR A2134 10.062 -5.020 7.560 1.00 0.74 C ATOM 0 H THR A2134 8.107 -2.358 5.329 1.00 0.32 H new ATOM 0 HA THR A2134 10.801 -3.153 5.832 1.00 0.43 H new ATOM 0 HB THR A2134 8.259 -4.681 6.466 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.943 -2.568 7.238 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.549 -5.413 8.438 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.369 -5.847 6.919 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.942 -4.459 7.875 1.00 0.74 H new ATOM 1343 N ARG A2135 8.941 -4.903 3.738 1.00 0.52 N ATOM 1344 CA ARG A2135 8.953 -5.941 2.718 1.00 0.71 C ATOM 1345 C ARG A2135 10.100 -5.752 1.730 1.00 0.88 C ATOM 1346 O ARG A2135 10.864 -6.678 1.461 1.00 1.12 O ATOM 1347 CB ARG A2135 7.631 -5.911 1.975 1.00 0.76 C ATOM 1348 CG ARG A2135 6.445 -6.189 2.871 1.00 0.74 C ATOM 1349 CD ARG A2135 6.347 -7.658 3.234 1.00 0.86 C ATOM 1350 NE ARG A2135 7.515 -8.172 3.955 1.00 1.75 N ATOM 1351 CZ ARG A2135 8.162 -9.296 3.630 1.00 2.11 C ATOM 1352 NH1 ARG A2135 7.809 -9.985 2.549 1.00 1.86 N ATOM 1353 NH2 ARG A2135 9.162 -9.727 4.387 1.00 3.18 N ATOM 0 H ARG A2135 8.056 -4.402 3.808 1.00 0.52 H new ATOM 0 HA ARG A2135 9.097 -6.904 3.209 1.00 0.71 H new ATOM 0 HB2 ARG A2135 7.505 -4.935 1.507 1.00 0.76 H new ATOM 0 HB3 ARG A2135 7.654 -6.648 1.173 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.529 -5.594 3.781 1.00 0.74 H new ATOM 0 HG3 ARG A2135 5.529 -5.876 2.369 1.00 0.74 H new ATOM 0 HD2 ARG A2135 5.458 -7.812 3.846 1.00 0.86 H new ATOM 0 HD3 ARG A2135 6.211 -8.239 2.322 1.00 0.86 H new ATOM 0 HE ARG A2135 7.856 -7.639 4.755 1.00 1.75 H new ATOM 0 HH11 ARG A2135 7.041 -9.657 1.963 1.00 1.86 H new ATOM 0 HH12 ARG A2135 8.306 -10.842 2.306 1.00 1.86 H new ATOM 0 HH21 ARG A2135 9.437 -9.201 5.217 1.00 3.18 H new ATOM 0 HH22 ARG A2135 9.656 -10.584 4.140 1.00 3.18 H new ATOM 1367 N LEU A2136 10.206 -4.544 1.196 1.00 0.92 N ATOM 1368 CA LEU A2136 11.208 -4.219 0.196 1.00 1.20 C ATOM 1369 C LEU A2136 12.621 -4.260 0.767 1.00 1.16 C ATOM 1370 O LEU A2136 13.541 -4.746 0.111 1.00 1.43 O ATOM 1371 CB LEU A2136 10.917 -2.851 -0.416 1.00 1.43 C ATOM 1372 CG LEU A2136 9.828 -2.823 -1.492 1.00 1.71 C ATOM 1373 CD1 LEU A2136 10.109 -3.861 -2.565 1.00 2.17 C ATOM 1374 CD2 LEU A2136 8.449 -3.036 -0.900 1.00 2.37 C ATOM 0 H LEU A2136 9.599 -3.763 1.445 1.00 0.92 H new ATOM 0 HA LEU A2136 11.153 -4.979 -0.584 1.00 1.20 H new ATOM 0 HB2 LEU A2136 10.629 -2.169 0.384 1.00 1.43 H new ATOM 0 HB3 LEU A2136 11.839 -2.463 -0.848 1.00 1.43 H new ATOM 0 HG LEU A2136 9.844 -1.833 -1.947 1.00 1.71 H new ATOM 0 HD11 LEU A2136 9.324 -3.825 -3.320 1.00 2.17 H new ATOM 0 HD12 LEU A2136 11.071 -3.651 -3.032 1.00 2.17 H new ATOM 0 HD13 LEU A2136 10.134 -4.853 -2.114 1.00 2.17 H new ATOM 0 HD21 LEU A2136 7.704 -3.009 -1.695 1.00 2.37 H new ATOM 0 HD22 LEU A2136 8.413 -4.004 -0.401 1.00 2.37 H new ATOM 0 HD23 LEU A2136 8.237 -2.248 -0.178 1.00 2.37 H new ATOM 1386 N THR A2137 12.796 -3.775 1.987 1.00 0.96 N ATOM 1387 CA THR A2137 14.110 -3.794 2.616 1.00 1.08 C ATOM 1388 C THR A2137 14.487 -5.223 3.000 1.00 1.17 C ATOM 1389 O THR A2137 15.664 -5.578 3.069 1.00 1.41 O ATOM 1390 CB THR A2137 14.160 -2.877 3.855 1.00 1.13 C ATOM 1391 OG1 THR A2137 13.092 -3.199 4.753 1.00 1.23 O ATOM 1392 CG2 THR A2137 14.056 -1.411 3.449 1.00 1.15 C ATOM 0 H THR A2137 12.055 -3.368 2.557 1.00 0.96 H new ATOM 0 HA THR A2137 14.832 -3.413 1.893 1.00 1.08 H new ATOM 0 HB THR A2137 15.115 -3.037 4.355 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.633 -4.006 4.439 1.00 1.23 H new ATOM 0 HG21 THR A2137 14.093 -0.783 4.339 1.00 1.15 H new ATOM 0 HG22 THR A2137 14.886 -1.156 2.790 1.00 1.15 H new ATOM 0 HG23 THR A2137 13.114 -1.244 2.927 1.00 1.15 H new ATOM 1400 N GLN A2138 13.466 -6.041 3.225 1.00 1.17 N ATOM 1401 CA GLN A2138 13.634 -7.458 3.481 1.00 1.45 C ATOM 1402 C GLN A2138 13.804 -8.233 2.175 1.00 1.71 C ATOM 1403 O GLN A2138 13.927 -9.458 2.178 1.00 2.00 O ATOM 1404 CB GLN A2138 12.420 -7.975 4.244 1.00 1.78 C ATOM 1405 CG GLN A2138 12.433 -7.626 5.722 1.00 1.32 C ATOM 1406 CD GLN A2138 13.588 -8.265 6.468 1.00 1.91 C ATOM 1407 OE1 GLN A2138 14.054 -9.345 6.109 1.00 2.46 O ATOM 1408 NE2 GLN A2138 14.057 -7.599 7.508 1.00 2.57 N ATOM 0 H GLN A2138 12.494 -5.733 3.234 1.00 1.17 H new ATOM 0 HA GLN A2138 14.534 -7.605 4.077 1.00 1.45 H new ATOM 0 HB2 GLN A2138 11.517 -7.566 3.791 1.00 1.78 H new ATOM 0 HB3 GLN A2138 12.369 -9.058 4.136 1.00 1.78 H new ATOM 0 HG2 GLN A2138 12.489 -6.543 5.834 1.00 1.32 H new ATOM 0 HG3 GLN A2138 11.494 -7.945 6.174 1.00 1.32 H new ATOM 0 HE21 GLN A2138 13.641 -6.706 7.772 1.00 2.57 H new ATOM 0 HE22 GLN A2138 14.835 -7.978 8.047 1.00 2.57 H new ATOM 1417 N SER A2139 13.792 -7.513 1.063 1.00 1.82 N ATOM 1418 CA SER A2139 14.002 -8.110 -0.245 1.00 2.34 C ATOM 1419 C SER A2139 15.300 -7.588 -0.849 1.00 2.85 C ATOM 1420 O SER A2139 15.386 -7.321 -2.049 1.00 3.41 O ATOM 1421 CB SER A2139 12.824 -7.802 -1.165 1.00 2.99 C ATOM 1422 OG SER A2139 11.601 -8.244 -0.596 1.00 3.48 O ATOM 0 H SER A2139 13.637 -6.505 1.043 1.00 1.82 H new ATOM 0 HA SER A2139 14.075 -9.192 -0.133 1.00 2.34 H new ATOM 0 HB2 SER A2139 12.775 -6.729 -1.351 1.00 2.99 H new ATOM 0 HB3 SER A2139 12.976 -8.286 -2.130 1.00 2.99 H new ATOM 0 HG SER A2139 11.365 -7.668 0.161 1.00 3.48 H new ATOM 1428 N HIS A2140 16.308 -7.447 -0.004 1.00 3.20 N ATOM 1429 CA HIS A2140 17.600 -6.935 -0.426 1.00 4.12 C ATOM 1430 C HIS A2140 18.365 -8.005 -1.194 1.00 4.36 C ATOM 1431 O HIS A2140 18.502 -7.874 -2.425 1.00 4.66 O ATOM 1432 CB HIS A2140 18.399 -6.467 0.786 1.00 4.76 C ATOM 1433 CG HIS A2140 19.684 -5.784 0.441 1.00 5.33 C ATOM 1434 ND1 HIS A2140 19.795 -4.421 0.289 1.00 6.07 N ATOM 1435 CD2 HIS A2140 20.923 -6.283 0.238 1.00 5.72 C ATOM 1436 CE1 HIS A2140 21.046 -4.110 0.010 1.00 6.78 C ATOM 1437 NE2 HIS A2140 21.754 -5.223 -0.027 1.00 6.61 N ATOM 1438 OXT HIS A2140 18.806 -8.985 -0.570 1.00 4.63 O ATOM 0 H HIS A2140 16.254 -7.683 0.987 1.00 3.20 H new ATOM 0 HA HIS A2140 17.444 -6.083 -1.088 1.00 4.12 H new ATOM 0 HB2 HIS A2140 17.783 -5.785 1.373 1.00 4.76 H new ATOM 0 HB3 HIS A2140 18.615 -7.327 1.420 1.00 4.76 H new ATOM 0 HD2 HIS A2140 21.207 -7.324 0.277 1.00 5.72 H new ATOM 0 HE1 HIS A2140 21.426 -3.114 -0.159 1.00 6.78 H new ATOM 0 HE2 HIS A2140 22.754 -5.285 -0.221 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -16.381 -7.343 2.335 1.00 1.26 P HETATM 1449 O26 66S A2201 -15.568 -7.175 3.558 1.00 2.02 O HETATM 1450 O23 66S A2201 -17.209 -6.141 2.096 1.00 2.14 O HETATM 1451 O27 66S A2201 -17.253 -8.656 2.389 1.00 1.51 O HETATM 1452 C28 66S A2201 -18.076 -8.957 1.246 1.00 1.76 C HETATM 1453 C29 66S A2201 -19.172 -9.976 1.659 1.00 2.58 C HETATM 1454 C30 66S A2201 -20.507 -9.243 1.795 1.00 3.17 C HETATM 1455 C31 66S A2201 -18.814 -10.616 3.013 1.00 3.36 C HETATM 1456 C32 66S A2201 -19.301 -11.085 0.560 1.00 3.14 C HETATM 1457 O33 66S A2201 -19.349 -10.469 -0.735 1.00 3.66 O HETATM 1458 C34 66S A2201 -18.118 -12.052 0.590 1.00 3.77 C HETATM 1459 O35 66S A2201 -18.085 -13.049 1.294 1.00 4.48 O HETATM 1460 N36 66S A2201 -17.103 -11.731 -0.221 1.00 3.99 N HETATM 1461 C37 66S A2201 -15.832 -12.464 -0.218 1.00 4.65 C HETATM 1462 C38 66S A2201 -14.639 -11.541 0.101 1.00 5.05 C HETATM 1463 C39 66S A2201 -13.750 -12.173 1.159 1.00 5.31 C HETATM 1464 O40 66S A2201 -12.639 -12.609 0.917 1.00 6.12 O HETATM 1465 N41 66S A2201 -14.275 -12.222 2.396 1.00 4.83 N HETATM 1466 C42 66S A2201 -14.904 -11.062 3.041 1.00 4.77 C HETATM 1467 C43 66S A2201 -13.908 -10.277 3.906 1.00 4.00 C HETATM 1468 S1 66S A2201 -12.565 -11.328 4.529 1.00 3.68 S HETATM 1469 C1 66S A2201 -12.133 -10.451 5.989 1.00 3.22 C HETATM 1470 O1 66S A2201 -12.733 -10.598 7.037 1.00 3.95 O HETATM 1471 C2 66S A2201 -10.972 -9.510 5.830 1.00 2.52 C HETATM 1472 C3 66S A2201 -11.445 -8.166 5.271 1.00 2.11 C HETATM 1473 C4 66S A2201 -10.907 -7.015 6.128 1.00 1.89 C HETATM 1474 C5 66S A2201 -12.064 -6.176 6.669 1.00 1.41 C HETATM 1475 C6 66S A2201 -12.105 -4.816 5.968 1.00 1.16 C HETATM 1476 C7 66S A2201 -12.916 -4.912 4.669 1.00 1.33 C HETATM 1477 C8 66S A2201 -13.205 -3.514 4.124 1.00 1.42 C