USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 694 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 42 ASN :FLIP amide:sc= -0.134 F(o=-0.9,f=-0.3) USER MOD Set 1.2: A 83 SER OG : rot -15:sc= -0.167 USER MOD Set 2.1: A 37 THR OG1 : rot 69:sc= 1.19 USER MOD Set 2.2: A 40 GLN :FLIP amide:sc= -0.0291 F(o=-1.9!,f=1.9) USER MOD Set 2.3: A 57 ASN : amide:sc= 0.701 K(o=1.9,f=-3.9!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.0183 K(o=-0.021,f=-1.1) USER MOD Set 3.2: A 12 LYS NZ :NH3+ 167:sc=-0.00264 (180deg=-0.131) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0299) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.0433 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0.171) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.0416 (180deg=-0.353) USER MOD Single : A 13 MET CE :methyl -161:sc= -0.0197 (180deg=-0.234) USER MOD Single : A 15 CYS SG : rot 40:sc= -1.93! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00805 X(o=-0.0081,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.18) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -71:sc= 1.44 USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.119) USER MOD Single : A 33 ASN : amide:sc= -0.01 K(o=-0.01,f=-1.1) USER MOD Single : A 38 TYR OH : rot 129:sc= -2.03! USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00816) USER MOD Single : A 50 HIS : no HE2:sc= 0.212 K(o=0.21,f=-0.92) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -23:sc= 0.236 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -0.0622 (180deg=-0.367) USER MOD Single : A 63 ASN : amide:sc= 0.712 K(o=0.71,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot 180:sc= -2.48! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.12) USER MOD Single : A 73 TYR OH : rot 168:sc= 1.16 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.251 K(o=0.25,f=-0.86) USER MOD Single : A 81 THR OG1 : rot 145:sc= 1.07 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.228 F(o=-1.9,f=-0.23) USER MOD Single : A 87 GLN : amide:sc= -2.69! C(o=-2.7!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.955 -1.533 0.056 1.00 0.00 N ATOM 2 CA MET A 1 2.996 -1.504 -1.003 1.00 0.00 C ATOM 3 C MET A 1 3.071 -2.862 -1.718 1.00 0.00 C ATOM 4 O MET A 1 2.766 -3.900 -1.126 1.00 0.00 O ATOM 5 CB MET A 1 4.373 -1.118 -0.381 1.00 0.00 C ATOM 6 CG MET A 1 5.568 -1.155 -1.350 1.00 0.00 C ATOM 7 SD MET A 1 5.297 -0.136 -2.821 1.00 0.00 S ATOM 8 CE MET A 1 6.762 -0.489 -3.796 1.00 0.00 C ATOM 0 H1 MET A 1 1.106 -1.033 -0.278 1.00 0.00 H new ATOM 0 H2 MET A 1 1.712 -2.520 0.277 1.00 0.00 H new ATOM 0 H3 MET A 1 2.317 -1.066 0.912 1.00 0.00 H new ATOM 0 HA MET A 1 2.731 -0.751 -1.745 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.296 -0.114 0.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.579 -1.793 0.450 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.463 -0.810 -0.832 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.754 -2.185 -1.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.681 0.003 -4.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.644 -0.120 -3.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.851 -1.565 -3.942 1.00 0.00 H new ATOM 20 N LYS A 2 3.448 -2.832 -3.014 1.00 0.00 N ATOM 21 CA LYS A 2 3.728 -4.031 -3.812 1.00 0.00 C ATOM 22 C LYS A 2 5.244 -4.126 -4.069 1.00 0.00 C ATOM 23 O LYS A 2 5.762 -3.594 -5.063 1.00 0.00 O ATOM 24 CB LYS A 2 2.936 -4.017 -5.152 1.00 0.00 C ATOM 25 CG LYS A 2 1.395 -3.978 -5.024 1.00 0.00 C ATOM 26 CD LYS A 2 0.802 -5.179 -4.246 1.00 0.00 C ATOM 27 CE LYS A 2 1.173 -6.552 -4.844 1.00 0.00 C ATOM 28 NZ LYS A 2 0.788 -6.674 -6.274 1.00 0.00 N ATOM 0 H LYS A 2 3.566 -1.963 -3.535 1.00 0.00 H new ATOM 0 HA LYS A 2 3.401 -4.910 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.255 -3.151 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.212 -4.903 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.105 -3.054 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.957 -3.952 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.148 -5.137 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.284 -5.085 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.247 -6.709 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.682 -7.339 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.396 -7.621 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.072 -5.955 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.626 -6.531 -6.873 1.00 0.00 H new ATOM 42 N ASP A 3 5.945 -4.768 -3.121 1.00 0.00 N ATOM 43 CA ASP A 3 7.413 -4.982 -3.174 1.00 0.00 C ATOM 44 C ASP A 3 7.804 -5.857 -4.378 1.00 0.00 C ATOM 45 O ASP A 3 8.910 -5.721 -4.926 1.00 0.00 O ATOM 46 CB ASP A 3 7.905 -5.628 -1.843 1.00 0.00 C ATOM 47 CG ASP A 3 7.760 -4.698 -0.617 1.00 0.00 C ATOM 48 OD1 ASP A 3 6.612 -4.445 -0.173 1.00 0.00 O ATOM 49 OD2 ASP A 3 8.792 -4.221 -0.089 1.00 0.00 O ATOM 0 H ASP A 3 5.511 -5.160 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 3 7.897 -4.013 -3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.342 -6.544 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.952 -5.913 -1.951 1.00 0.00 H new ATOM 54 N SER A 4 6.879 -6.751 -4.779 1.00 0.00 N ATOM 55 CA SER A 4 7.033 -7.594 -5.971 1.00 0.00 C ATOM 56 C SER A 4 7.075 -6.722 -7.242 1.00 0.00 C ATOM 57 O SER A 4 8.029 -6.780 -8.000 1.00 0.00 O ATOM 58 CB SER A 4 5.871 -8.611 -6.062 1.00 0.00 C ATOM 59 OG SER A 4 5.991 -9.441 -7.207 1.00 0.00 O ATOM 0 H SER A 4 6.003 -6.906 -4.281 1.00 0.00 H new ATOM 0 HA SER A 4 7.973 -8.141 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.856 -9.229 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.921 -8.077 -6.097 1.00 0.00 H new ATOM 0 HG SER A 4 5.242 -10.073 -7.233 1.00 0.00 H new ATOM 65 N ASP A 5 6.051 -5.866 -7.407 1.00 0.00 N ATOM 66 CA ASP A 5 5.844 -5.034 -8.619 1.00 0.00 C ATOM 67 C ASP A 5 6.935 -3.958 -8.806 1.00 0.00 C ATOM 68 O ASP A 5 6.957 -3.286 -9.839 1.00 0.00 O ATOM 69 CB ASP A 5 4.443 -4.366 -8.565 1.00 0.00 C ATOM 70 CG ASP A 5 3.283 -5.380 -8.650 1.00 0.00 C ATOM 71 OD1 ASP A 5 3.160 -6.238 -7.745 1.00 0.00 O ATOM 72 OD2 ASP A 5 2.475 -5.317 -9.598 1.00 0.00 O ATOM 0 H ASP A 5 5.332 -5.726 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 5 5.910 -5.701 -9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.354 -3.798 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.355 -3.654 -9.385 1.00 0.00 H new ATOM 77 N LYS A 6 7.809 -3.774 -7.803 1.00 0.00 N ATOM 78 CA LYS A 6 8.979 -2.885 -7.925 1.00 0.00 C ATOM 79 C LYS A 6 10.027 -3.517 -8.870 1.00 0.00 C ATOM 80 O LYS A 6 10.439 -2.911 -9.866 1.00 0.00 O ATOM 81 CB LYS A 6 9.608 -2.626 -6.532 1.00 0.00 C ATOM 82 CG LYS A 6 10.808 -1.639 -6.547 1.00 0.00 C ATOM 83 CD LYS A 6 11.652 -1.685 -5.253 1.00 0.00 C ATOM 84 CE LYS A 6 12.360 -3.045 -5.063 1.00 0.00 C ATOM 85 NZ LYS A 6 13.134 -3.101 -3.801 1.00 0.00 N ATOM 0 H LYS A 6 7.728 -4.231 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 6 8.652 -1.933 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.839 -2.235 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.939 -3.576 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.448 -1.869 -7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.434 -0.626 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.398 -0.890 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.009 -1.490 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.618 -3.843 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.028 -3.226 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.592 -4.031 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.860 -2.357 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.494 -2.955 -2.994 1.00 0.00 H new ATOM 99 N GLU A 7 10.432 -4.754 -8.530 1.00 0.00 N ATOM 100 CA GLU A 7 11.454 -5.526 -9.276 1.00 0.00 C ATOM 101 C GLU A 7 10.822 -6.243 -10.489 1.00 0.00 C ATOM 102 O GLU A 7 11.500 -6.566 -11.467 1.00 0.00 O ATOM 103 CB GLU A 7 12.136 -6.529 -8.303 1.00 0.00 C ATOM 104 CG GLU A 7 11.176 -7.548 -7.646 1.00 0.00 C ATOM 105 CD GLU A 7 11.788 -8.266 -6.433 1.00 0.00 C ATOM 106 OE1 GLU A 7 11.702 -7.720 -5.309 1.00 0.00 O ATOM 107 OE2 GLU A 7 12.366 -9.362 -6.592 1.00 0.00 O ATOM 0 H GLU A 7 10.058 -5.254 -7.723 1.00 0.00 H new ATOM 0 HA GLU A 7 12.212 -4.850 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.906 -7.075 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.640 -5.966 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.268 -7.032 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.882 -8.290 -8.388 1.00 0.00 H new ATOM 114 N LYS A 8 9.505 -6.472 -10.401 1.00 0.00 N ATOM 115 CA LYS A 8 8.678 -7.052 -11.474 1.00 0.00 C ATOM 116 C LYS A 8 7.897 -5.916 -12.155 1.00 0.00 C ATOM 117 O LYS A 8 6.695 -6.042 -12.429 1.00 0.00 O ATOM 118 CB LYS A 8 7.695 -8.103 -10.874 1.00 0.00 C ATOM 119 CG LYS A 8 8.359 -9.320 -10.193 1.00 0.00 C ATOM 120 CD LYS A 8 9.134 -10.218 -11.185 1.00 0.00 C ATOM 121 CE LYS A 8 9.548 -11.559 -10.552 1.00 0.00 C ATOM 122 NZ LYS A 8 8.365 -12.369 -10.138 1.00 0.00 N ATOM 0 H LYS A 8 8.969 -6.254 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 8 9.310 -7.554 -12.207 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.057 -7.604 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.045 -8.464 -11.671 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.042 -8.969 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.592 -9.914 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.514 -10.408 -12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.023 -9.691 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.145 -12.127 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.180 -11.371 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.652 -13.360 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.985 -11.996 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.633 -12.316 -10.875 1.00 0.00 H new ATOM 136 N GLU A 9 8.597 -4.795 -12.407 1.00 0.00 N ATOM 137 CA GLU A 9 7.982 -3.579 -12.957 1.00 0.00 C ATOM 138 C GLU A 9 7.476 -3.828 -14.386 1.00 0.00 C ATOM 139 O GLU A 9 8.251 -4.169 -15.291 1.00 0.00 O ATOM 140 CB GLU A 9 8.971 -2.389 -12.914 1.00 0.00 C ATOM 141 CG GLU A 9 8.343 -1.023 -13.256 1.00 0.00 C ATOM 142 CD GLU A 9 9.315 0.159 -13.096 1.00 0.00 C ATOM 143 OE1 GLU A 9 9.552 0.589 -11.943 1.00 0.00 O ATOM 144 OE2 GLU A 9 9.833 0.669 -14.116 1.00 0.00 O ATOM 0 H GLU A 9 9.599 -4.709 -12.235 1.00 0.00 H new ATOM 0 HA GLU A 9 7.125 -3.319 -12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.410 -2.334 -11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.786 -2.585 -13.611 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.979 -1.047 -14.283 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.477 -0.860 -12.615 1.00 0.00 H new ATOM 151 N ASN A 10 6.162 -3.668 -14.547 1.00 0.00 N ATOM 152 CA ASN A 10 5.460 -3.902 -15.822 1.00 0.00 C ATOM 153 C ASN A 10 5.682 -2.705 -16.759 1.00 0.00 C ATOM 154 O ASN A 10 5.940 -1.593 -16.293 1.00 0.00 O ATOM 155 CB ASN A 10 3.945 -4.140 -15.571 1.00 0.00 C ATOM 156 CG ASN A 10 3.195 -4.660 -16.804 1.00 0.00 C ATOM 157 OD1 ASN A 10 3.745 -5.438 -17.590 1.00 0.00 O ATOM 158 ND2 ASN A 10 1.959 -4.215 -16.999 1.00 0.00 N ATOM 0 H ASN A 10 5.544 -3.370 -13.792 1.00 0.00 H new ATOM 0 HA ASN A 10 5.864 -4.796 -16.297 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.828 -4.854 -14.756 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.488 -3.206 -15.244 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.432 -4.515 -17.819 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.536 -3.573 -16.328 1.00 0.00 H new ATOM 165 N GLY A 11 5.574 -2.939 -18.074 1.00 0.00 N ATOM 166 CA GLY A 11 5.968 -1.943 -19.072 1.00 0.00 C ATOM 167 C GLY A 11 7.359 -2.235 -19.597 1.00 0.00 C ATOM 168 O GLY A 11 8.190 -1.327 -19.737 1.00 0.00 O ATOM 0 H GLY A 11 5.217 -3.809 -18.468 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.255 -1.944 -19.896 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.942 -0.947 -18.630 1.00 0.00 H new ATOM 172 N LYS A 12 7.625 -3.545 -19.819 1.00 0.00 N ATOM 173 CA LYS A 12 8.905 -4.042 -20.355 1.00 0.00 C ATOM 174 C LYS A 12 9.094 -3.528 -21.804 1.00 0.00 C ATOM 175 O LYS A 12 8.720 -4.170 -22.791 1.00 0.00 O ATOM 176 CB LYS A 12 8.949 -5.602 -20.238 1.00 0.00 C ATOM 177 CG LYS A 12 7.755 -6.348 -20.893 1.00 0.00 C ATOM 178 CD LYS A 12 7.658 -7.839 -20.487 1.00 0.00 C ATOM 179 CE LYS A 12 7.181 -8.040 -19.031 1.00 0.00 C ATOM 180 NZ LYS A 12 5.789 -7.545 -18.823 1.00 0.00 N ATOM 0 H LYS A 12 6.951 -4.286 -19.629 1.00 0.00 H new ATOM 0 HA LYS A 12 9.744 -3.659 -19.774 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.873 -5.959 -20.693 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.989 -5.870 -19.182 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.828 -5.844 -20.619 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.846 -6.280 -21.977 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.971 -8.349 -21.162 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.634 -8.308 -20.611 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.231 -9.099 -18.777 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.856 -7.517 -18.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.430 -7.892 -17.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.787 -6.505 -18.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.179 -7.893 -19.590 1.00 0.00 H new ATOM 194 N MET A 13 9.652 -2.314 -21.886 1.00 0.00 N ATOM 195 CA MET A 13 9.778 -1.558 -23.138 1.00 0.00 C ATOM 196 C MET A 13 10.866 -2.159 -24.037 1.00 0.00 C ATOM 197 O MET A 13 12.021 -2.242 -23.636 1.00 0.00 O ATOM 198 CB MET A 13 10.085 -0.055 -22.849 1.00 0.00 C ATOM 199 CG MET A 13 11.287 0.221 -21.909 1.00 0.00 C ATOM 200 SD MET A 13 12.295 1.627 -22.434 1.00 0.00 S ATOM 201 CE MET A 13 13.033 1.004 -23.953 1.00 0.00 C ATOM 0 H MET A 13 10.033 -1.824 -21.077 1.00 0.00 H new ATOM 0 HA MET A 13 8.825 -1.623 -23.663 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.268 0.448 -23.799 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.196 0.400 -22.413 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.916 0.405 -20.901 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.914 -0.669 -21.861 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.911 1.600 -24.202 1.00 0.00 H new ATOM 0 HE2 MET A 13 13.328 -0.036 -23.814 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.308 1.070 -24.764 1.00 0.00 H new ATOM 211 N GLY A 14 10.462 -2.596 -25.239 1.00 0.00 N ATOM 212 CA GLY A 14 11.399 -3.035 -26.264 1.00 0.00 C ATOM 213 C GLY A 14 12.021 -4.399 -26.008 1.00 0.00 C ATOM 214 O GLY A 14 13.151 -4.653 -26.424 1.00 0.00 O ATOM 0 H GLY A 14 9.483 -2.652 -25.519 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.883 -3.060 -27.224 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.196 -2.297 -26.350 1.00 0.00 H new ATOM 218 N CYS A 15 11.307 -5.280 -25.300 1.00 0.00 N ATOM 219 CA CYS A 15 11.730 -6.679 -25.155 1.00 0.00 C ATOM 220 C CYS A 15 11.245 -7.458 -26.394 1.00 0.00 C ATOM 221 O CYS A 15 10.101 -7.915 -26.446 1.00 0.00 O ATOM 222 CB CYS A 15 11.192 -7.284 -23.840 1.00 0.00 C ATOM 223 SG CYS A 15 9.395 -7.251 -23.691 1.00 0.00 S ATOM 0 H CYS A 15 10.437 -5.052 -24.820 1.00 0.00 H new ATOM 0 HA CYS A 15 12.817 -6.742 -25.097 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.533 -8.316 -23.762 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.625 -6.741 -23.000 1.00 0.00 H new ATOM 0 HG CYS A 15 8.859 -7.528 -24.843 1.00 0.00 H new ATOM 229 N TRP A 16 12.105 -7.530 -27.429 1.00 0.00 N ATOM 230 CA TRP A 16 11.794 -8.214 -28.705 1.00 0.00 C ATOM 231 C TRP A 16 12.295 -9.664 -28.658 1.00 0.00 C ATOM 232 O TRP A 16 12.986 -10.070 -27.717 1.00 0.00 O ATOM 233 CB TRP A 16 12.453 -7.467 -29.904 1.00 0.00 C ATOM 234 CG TRP A 16 12.265 -5.966 -29.859 1.00 0.00 C ATOM 235 CD1 TRP A 16 11.118 -5.262 -30.108 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.261 -4.989 -29.521 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.339 -3.925 -29.928 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.648 -3.734 -29.571 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.613 -5.061 -29.181 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.334 -2.558 -29.277 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.292 -3.893 -28.890 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.655 -2.656 -28.942 1.00 0.00 C ATOM 0 H TRP A 16 13.037 -7.116 -27.406 1.00 0.00 H new ATOM 0 HA TRP A 16 10.713 -8.210 -28.844 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.520 -7.691 -29.919 1.00 0.00 H new ATOM 0 HB3 TRP A 16 12.034 -7.850 -30.835 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.176 -5.699 -30.404 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.642 -3.189 -30.041 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.120 -6.014 -29.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.838 -1.599 -29.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.336 -3.941 -28.617 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.214 -1.760 -28.714 1.00 0.00 H new ATOM 253 N SER A 17 11.921 -10.445 -29.673 1.00 0.00 N ATOM 254 CA SER A 17 12.543 -11.748 -29.948 1.00 0.00 C ATOM 255 C SER A 17 13.817 -11.522 -30.794 1.00 0.00 C ATOM 256 O SER A 17 13.943 -10.475 -31.449 1.00 0.00 O ATOM 257 CB SER A 17 11.536 -12.655 -30.679 1.00 0.00 C ATOM 258 OG SER A 17 10.327 -12.773 -29.946 1.00 0.00 O ATOM 0 H SER A 17 11.180 -10.196 -30.328 1.00 0.00 H new ATOM 0 HA SER A 17 12.825 -12.242 -29.018 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.327 -12.248 -31.668 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.973 -13.643 -30.827 1.00 0.00 H new ATOM 0 HG SER A 17 9.705 -13.353 -30.433 1.00 0.00 H new ATOM 264 N ILE A 18 14.742 -12.501 -30.787 1.00 0.00 N ATOM 265 CA ILE A 18 16.046 -12.393 -31.494 1.00 0.00 C ATOM 266 C ILE A 18 15.837 -12.156 -33.002 1.00 0.00 C ATOM 267 O ILE A 18 16.494 -11.307 -33.615 1.00 0.00 O ATOM 268 CB ILE A 18 16.922 -13.689 -31.293 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.143 -13.988 -29.773 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.272 -13.588 -32.062 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.796 -12.873 -28.981 1.00 0.00 C ATOM 0 H ILE A 18 14.614 -13.386 -30.296 1.00 0.00 H new ATOM 0 HA ILE A 18 16.571 -11.541 -31.062 1.00 0.00 H new ATOM 0 HB ILE A 18 16.374 -14.531 -31.717 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.178 -14.215 -29.320 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.757 -14.884 -29.682 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.851 -14.498 -31.902 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.076 -13.466 -33.127 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.836 -12.730 -31.696 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.904 -13.180 -27.941 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.779 -12.657 -29.399 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.175 -11.978 -29.033 1.00 0.00 H new ATOM 283 N GLU A 19 14.885 -12.904 -33.566 1.00 0.00 N ATOM 284 CA GLU A 19 14.581 -12.867 -34.997 1.00 0.00 C ATOM 285 C GLU A 19 13.861 -11.564 -35.386 1.00 0.00 C ATOM 286 O GLU A 19 14.056 -11.059 -36.488 1.00 0.00 O ATOM 287 CB GLU A 19 13.793 -14.130 -35.394 1.00 0.00 C ATOM 288 CG GLU A 19 14.620 -15.420 -35.241 1.00 0.00 C ATOM 289 CD GLU A 19 13.811 -16.701 -35.505 1.00 0.00 C ATOM 290 OE1 GLU A 19 13.652 -17.091 -36.686 1.00 0.00 O ATOM 291 OE2 GLU A 19 13.314 -17.317 -34.536 1.00 0.00 O ATOM 0 H GLU A 19 14.302 -13.555 -33.040 1.00 0.00 H new ATOM 0 HA GLU A 19 15.513 -12.869 -35.562 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.897 -14.203 -34.778 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.462 -14.036 -36.428 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.465 -15.385 -35.929 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.032 -15.461 -34.233 1.00 0.00 H new ATOM 298 N HIS A 20 13.070 -10.993 -34.456 1.00 0.00 N ATOM 299 CA HIS A 20 12.456 -9.662 -34.651 1.00 0.00 C ATOM 300 C HIS A 20 13.568 -8.598 -34.788 1.00 0.00 C ATOM 301 O HIS A 20 13.535 -7.756 -35.686 1.00 0.00 O ATOM 302 CB HIS A 20 11.503 -9.312 -33.479 1.00 0.00 C ATOM 303 CG HIS A 20 10.773 -7.996 -33.639 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.486 -7.898 -34.128 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.155 -6.721 -33.368 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.121 -6.632 -34.164 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.111 -5.900 -33.703 1.00 0.00 N ATOM 0 H HIS A 20 12.841 -11.431 -33.564 1.00 0.00 H new ATOM 0 HA HIS A 20 11.861 -9.678 -35.564 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.769 -10.110 -33.373 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.079 -9.284 -32.554 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.107 -6.411 -32.963 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.169 -6.259 -34.513 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.103 -4.884 -33.610 1.00 0.00 H new ATOM 316 N VAL A 21 14.566 -8.683 -33.898 1.00 0.00 N ATOM 317 CA VAL A 21 15.726 -7.781 -33.895 1.00 0.00 C ATOM 318 C VAL A 21 16.461 -7.838 -35.255 1.00 0.00 C ATOM 319 O VAL A 21 16.509 -6.838 -35.959 1.00 0.00 O ATOM 320 CB VAL A 21 16.696 -8.134 -32.703 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.057 -7.401 -32.805 1.00 0.00 C ATOM 322 CG2 VAL A 21 16.006 -7.834 -31.353 1.00 0.00 C ATOM 0 H VAL A 21 14.592 -9.383 -33.156 1.00 0.00 H new ATOM 0 HA VAL A 21 15.375 -6.760 -33.749 1.00 0.00 H new ATOM 0 HB VAL A 21 16.915 -9.200 -32.765 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.685 -7.681 -31.959 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.553 -7.682 -33.734 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.892 -6.324 -32.794 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.683 -8.081 -30.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.748 -6.776 -31.304 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.100 -8.433 -31.267 1.00 0.00 H new ATOM 332 N GLU A 22 16.930 -9.038 -35.645 1.00 0.00 N ATOM 333 CA GLU A 22 17.809 -9.216 -36.822 1.00 0.00 C ATOM 334 C GLU A 22 17.102 -8.872 -38.154 1.00 0.00 C ATOM 335 O GLU A 22 17.697 -8.223 -39.022 1.00 0.00 O ATOM 336 CB GLU A 22 18.380 -10.662 -36.859 1.00 0.00 C ATOM 337 CG GLU A 22 17.335 -11.777 -37.043 1.00 0.00 C ATOM 338 CD GLU A 22 17.933 -13.188 -37.035 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.081 -13.783 -35.943 1.00 0.00 O ATOM 340 OE2 GLU A 22 18.267 -13.713 -38.119 1.00 0.00 O ATOM 0 H GLU A 22 16.714 -9.908 -35.158 1.00 0.00 H new ATOM 0 HA GLU A 22 18.632 -8.509 -36.714 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.105 -10.728 -37.671 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.923 -10.845 -35.931 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.593 -11.702 -36.248 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.810 -11.619 -37.985 1.00 0.00 H new ATOM 347 N GLN A 23 15.827 -9.291 -38.291 1.00 0.00 N ATOM 348 CA GLN A 23 15.053 -9.113 -39.541 1.00 0.00 C ATOM 349 C GLN A 23 14.622 -7.645 -39.730 1.00 0.00 C ATOM 350 O GLN A 23 14.530 -7.164 -40.867 1.00 0.00 O ATOM 351 CB GLN A 23 13.805 -10.045 -39.552 1.00 0.00 C ATOM 352 CG GLN A 23 14.123 -11.560 -39.525 1.00 0.00 C ATOM 353 CD GLN A 23 14.926 -12.067 -40.727 1.00 0.00 C ATOM 354 OE1 GLN A 23 14.785 -11.572 -41.845 1.00 0.00 O ATOM 355 NE2 GLN A 23 15.793 -13.047 -40.502 1.00 0.00 N ATOM 0 H GLN A 23 15.308 -9.758 -37.548 1.00 0.00 H new ATOM 0 HA GLN A 23 15.703 -9.385 -40.373 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.182 -9.804 -38.691 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.215 -9.828 -40.443 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.678 -11.785 -38.614 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.185 -12.113 -39.472 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.889 -13.438 -39.565 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.364 -13.409 -41.266 1.00 0.00 H new ATOM 364 N TYR A 24 14.352 -6.945 -38.612 1.00 0.00 N ATOM 365 CA TYR A 24 13.851 -5.555 -38.641 1.00 0.00 C ATOM 366 C TYR A 24 14.984 -4.522 -38.393 1.00 0.00 C ATOM 367 O TYR A 24 14.737 -3.326 -38.517 1.00 0.00 O ATOM 368 CB TYR A 24 12.703 -5.377 -37.595 1.00 0.00 C ATOM 369 CG TYR A 24 11.427 -6.225 -37.822 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.470 -7.622 -37.842 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.173 -5.631 -37.988 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.339 -8.383 -38.024 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.032 -6.395 -38.166 1.00 0.00 C ATOM 374 CZ TYR A 24 9.121 -7.769 -38.184 1.00 0.00 C ATOM 375 OH TYR A 24 7.983 -8.534 -38.350 1.00 0.00 O ATOM 0 H TYR A 24 14.473 -7.321 -37.672 1.00 0.00 H new ATOM 0 HA TYR A 24 13.458 -5.365 -39.640 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.100 -5.615 -36.608 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.416 -4.326 -37.578 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.420 -8.119 -37.711 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.092 -4.554 -37.977 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.408 -9.461 -38.041 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.073 -5.914 -38.291 1.00 0.00 H new ATOM 0 HH TYR A 24 7.205 -7.946 -38.449 1.00 0.00 H new ATOM 385 N LEU A 25 16.214 -4.978 -38.047 1.00 0.00 N ATOM 386 CA LEU A 25 17.373 -4.073 -37.780 1.00 0.00 C ATOM 387 C LEU A 25 17.713 -3.184 -38.997 1.00 0.00 C ATOM 388 O LEU A 25 18.044 -3.687 -40.075 1.00 0.00 O ATOM 389 CB LEU A 25 18.643 -4.879 -37.310 1.00 0.00 C ATOM 390 CG LEU A 25 18.991 -4.785 -35.784 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.184 -5.675 -35.421 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.250 -3.326 -35.350 1.00 0.00 C ATOM 0 H LEU A 25 16.434 -5.969 -37.945 1.00 0.00 H new ATOM 0 HA LEU A 25 17.068 -3.414 -36.967 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.498 -5.929 -37.565 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.503 -4.528 -37.881 1.00 0.00 H new ATOM 0 HG LEU A 25 18.121 -5.150 -35.238 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.395 -5.583 -34.356 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.949 -6.713 -35.656 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.058 -5.363 -35.992 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.488 -3.300 -34.287 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.086 -2.920 -35.919 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.359 -2.727 -35.537 1.00 0.00 H new ATOM 404 N GLY A 26 17.619 -1.857 -38.790 1.00 0.00 N ATOM 405 CA GLY A 26 17.978 -0.862 -39.801 1.00 0.00 C ATOM 406 C GLY A 26 16.776 -0.306 -40.559 1.00 0.00 C ATOM 407 O GLY A 26 16.950 0.431 -41.539 1.00 0.00 O ATOM 0 H GLY A 26 17.291 -1.451 -37.914 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.506 -0.039 -39.319 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.670 -1.312 -40.513 1.00 0.00 H new ATOM 411 N THR A 27 15.554 -0.649 -40.106 1.00 0.00 N ATOM 412 CA THR A 27 14.303 -0.146 -40.714 1.00 0.00 C ATOM 413 C THR A 27 13.675 0.935 -39.811 1.00 0.00 C ATOM 414 O THR A 27 14.241 1.287 -38.771 1.00 0.00 O ATOM 415 CB THR A 27 13.278 -1.313 -40.946 1.00 0.00 C ATOM 416 OG1 THR A 27 12.767 -1.791 -39.686 1.00 0.00 O ATOM 417 CG2 THR A 27 13.915 -2.490 -41.715 1.00 0.00 C ATOM 0 H THR A 27 15.405 -1.277 -39.316 1.00 0.00 H new ATOM 0 HA THR A 27 14.547 0.290 -41.683 1.00 0.00 H new ATOM 0 HB THR A 27 12.463 -0.910 -41.547 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.473 -2.276 -39.210 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.174 -3.277 -41.855 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.264 -2.143 -42.687 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.758 -2.883 -41.146 1.00 0.00 H new ATOM 425 N ASP A 28 12.506 1.465 -40.216 1.00 0.00 N ATOM 426 CA ASP A 28 11.727 2.415 -39.391 1.00 0.00 C ATOM 427 C ASP A 28 10.803 1.668 -38.406 1.00 0.00 C ATOM 428 O ASP A 28 10.065 2.302 -37.647 1.00 0.00 O ATOM 429 CB ASP A 28 10.907 3.383 -40.290 1.00 0.00 C ATOM 430 CG ASP A 28 11.788 4.397 -41.048 1.00 0.00 C ATOM 431 OD1 ASP A 28 12.177 5.423 -40.446 1.00 0.00 O ATOM 432 OD2 ASP A 28 12.103 4.166 -42.233 1.00 0.00 O ATOM 0 H ASP A 28 12.075 1.251 -41.116 1.00 0.00 H new ATOM 0 HA ASP A 28 12.432 3.007 -38.806 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.332 2.801 -41.010 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.190 3.924 -39.672 1.00 0.00 H new ATOM 437 N GLU A 29 10.834 0.321 -38.439 1.00 0.00 N ATOM 438 CA GLU A 29 10.169 -0.521 -37.434 1.00 0.00 C ATOM 439 C GLU A 29 11.117 -0.703 -36.243 1.00 0.00 C ATOM 440 O GLU A 29 10.777 -0.372 -35.102 1.00 0.00 O ATOM 441 CB GLU A 29 9.769 -1.895 -38.034 1.00 0.00 C ATOM 442 CG GLU A 29 8.798 -1.807 -39.230 1.00 0.00 C ATOM 443 CD GLU A 29 7.495 -1.041 -38.914 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.585 -1.622 -38.283 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.368 0.143 -39.303 1.00 0.00 O ATOM 0 H GLU A 29 11.320 -0.209 -39.162 1.00 0.00 H new ATOM 0 HA GLU A 29 9.252 -0.034 -37.103 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.672 -2.416 -38.352 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.310 -2.500 -37.252 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.304 -1.318 -40.063 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.546 -2.816 -39.558 1.00 0.00 H new ATOM 452 N LEU A 30 12.324 -1.223 -36.531 1.00 0.00 N ATOM 453 CA LEU A 30 13.387 -1.403 -35.532 1.00 0.00 C ATOM 454 C LEU A 30 14.666 -0.733 -36.070 1.00 0.00 C ATOM 455 O LEU A 30 15.435 -1.360 -36.803 1.00 0.00 O ATOM 456 CB LEU A 30 13.581 -2.930 -35.216 1.00 0.00 C ATOM 457 CG LEU A 30 14.356 -3.331 -33.908 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.886 -3.226 -34.049 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.860 -2.504 -32.716 1.00 0.00 C ATOM 0 H LEU A 30 12.588 -1.530 -37.467 1.00 0.00 H new ATOM 0 HA LEU A 30 13.124 -0.929 -34.586 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.593 -3.387 -35.170 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.101 -3.380 -36.061 1.00 0.00 H new ATOM 0 HG LEU A 30 14.140 -4.384 -33.730 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.359 -3.517 -33.111 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.224 -3.888 -34.846 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.160 -2.199 -34.290 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.407 -2.794 -31.819 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.024 -1.445 -32.914 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.795 -2.684 -32.566 1.00 0.00 H new ATOM 471 N PRO A 31 14.887 0.586 -35.774 1.00 0.00 N ATOM 472 CA PRO A 31 16.153 1.252 -36.112 1.00 0.00 C ATOM 473 C PRO A 31 17.297 0.731 -35.223 1.00 0.00 C ATOM 474 O PRO A 31 17.075 0.347 -34.062 1.00 0.00 O ATOM 475 CB PRO A 31 15.859 2.759 -35.878 1.00 0.00 C ATOM 476 CG PRO A 31 14.744 2.782 -34.872 1.00 0.00 C ATOM 477 CD PRO A 31 13.925 1.526 -35.119 1.00 0.00 C ATOM 0 HA PRO A 31 16.481 1.061 -37.134 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.740 3.280 -35.504 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.566 3.253 -36.804 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.137 2.797 -33.855 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.131 3.676 -34.990 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.537 1.114 -34.188 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.067 1.729 -35.760 1.00 0.00 H new ATOM 485 N LYS A 32 18.510 0.721 -35.790 1.00 0.00 N ATOM 486 CA LYS A 32 19.743 0.327 -35.088 1.00 0.00 C ATOM 487 C LYS A 32 19.932 1.149 -33.797 1.00 0.00 C ATOM 488 O LYS A 32 20.346 0.614 -32.770 1.00 0.00 O ATOM 489 CB LYS A 32 20.960 0.507 -36.035 1.00 0.00 C ATOM 490 CG LYS A 32 20.993 -0.464 -37.239 1.00 0.00 C ATOM 491 CD LYS A 32 22.284 -0.333 -38.084 1.00 0.00 C ATOM 492 CE LYS A 32 22.345 0.985 -38.872 1.00 0.00 C ATOM 493 NZ LYS A 32 21.294 1.062 -39.921 1.00 0.00 N ATOM 0 H LYS A 32 18.667 0.989 -36.761 1.00 0.00 H new ATOM 0 HA LYS A 32 19.664 -0.722 -34.802 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.962 1.530 -36.411 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.875 0.378 -35.457 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.905 -1.488 -36.876 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.128 -0.276 -37.875 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.152 -0.400 -37.427 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.345 -1.170 -38.779 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.231 1.823 -38.184 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.327 1.084 -39.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.475 1.882 -40.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 21.309 0.193 -40.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.362 1.165 -39.472 1.00 0.00 H new ATOM 507 N ASN A 33 19.566 2.441 -33.880 1.00 0.00 N ATOM 508 CA ASN A 33 19.658 3.395 -32.758 1.00 0.00 C ATOM 509 C ASN A 33 18.864 2.887 -31.529 1.00 0.00 C ATOM 510 O ASN A 33 19.371 2.911 -30.410 1.00 0.00 O ATOM 511 CB ASN A 33 19.113 4.782 -33.207 1.00 0.00 C ATOM 512 CG ASN A 33 19.546 5.928 -32.285 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.511 6.636 -32.572 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.870 6.087 -31.159 1.00 0.00 N ATOM 0 H ASN A 33 19.195 2.856 -34.734 1.00 0.00 H new ATOM 0 HA ASN A 33 20.705 3.489 -32.469 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.457 4.990 -34.220 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.024 4.744 -33.242 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.144 6.814 -30.498 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.075 5.483 -30.952 1.00 0.00 H new ATOM 521 N ASP A 34 17.634 2.396 -31.792 1.00 0.00 N ATOM 522 CA ASP A 34 16.673 1.938 -30.755 1.00 0.00 C ATOM 523 C ASP A 34 17.151 0.646 -30.061 1.00 0.00 C ATOM 524 O ASP A 34 16.923 0.455 -28.858 1.00 0.00 O ATOM 525 CB ASP A 34 15.280 1.722 -31.408 1.00 0.00 C ATOM 526 CG ASP A 34 14.160 1.315 -30.426 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.973 2.010 -29.407 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.441 0.329 -30.695 1.00 0.00 O ATOM 0 H ASP A 34 17.272 2.304 -32.741 1.00 0.00 H new ATOM 0 HA ASP A 34 16.604 2.707 -29.986 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.985 2.642 -31.913 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.369 0.952 -32.174 1.00 0.00 H new ATOM 533 N LEU A 35 17.827 -0.221 -30.831 1.00 0.00 N ATOM 534 CA LEU A 35 18.440 -1.457 -30.300 1.00 0.00 C ATOM 535 C LEU A 35 19.527 -1.074 -29.267 1.00 0.00 C ATOM 536 O LEU A 35 19.487 -1.503 -28.100 1.00 0.00 O ATOM 537 CB LEU A 35 19.015 -2.302 -31.489 1.00 0.00 C ATOM 538 CG LEU A 35 19.425 -3.800 -31.220 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.721 -3.942 -30.399 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.270 -4.580 -30.572 1.00 0.00 C ATOM 0 H LEU A 35 17.966 -0.090 -31.833 1.00 0.00 H new ATOM 0 HA LEU A 35 17.699 -2.073 -29.791 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.272 -2.300 -32.286 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.893 -1.782 -31.871 1.00 0.00 H new ATOM 0 HG LEU A 35 19.637 -4.237 -32.196 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.944 -4.999 -30.251 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.544 -3.469 -30.934 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.593 -3.459 -29.430 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.580 -5.610 -30.397 1.00 0.00 H new ATOM 0 HD22 LEU A 35 18.004 -4.115 -29.623 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.406 -4.569 -31.236 1.00 0.00 H new ATOM 552 N ILE A 36 20.466 -0.224 -29.718 1.00 0.00 N ATOM 553 CA ILE A 36 21.582 0.291 -28.886 1.00 0.00 C ATOM 554 C ILE A 36 21.044 0.981 -27.604 1.00 0.00 C ATOM 555 O ILE A 36 21.575 0.770 -26.505 1.00 0.00 O ATOM 556 CB ILE A 36 22.457 1.304 -29.720 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.965 0.643 -31.041 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.649 1.843 -28.894 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.527 1.613 -32.070 1.00 0.00 C ATOM 0 H ILE A 36 20.477 0.130 -30.674 1.00 0.00 H new ATOM 0 HA ILE A 36 22.202 -0.553 -28.585 1.00 0.00 H new ATOM 0 HB ILE A 36 21.819 2.150 -29.976 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.736 -0.086 -30.792 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.141 0.093 -31.495 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.228 2.538 -29.502 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.275 2.359 -28.010 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.284 1.012 -28.587 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.853 1.060 -32.951 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.755 2.328 -32.355 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.375 2.147 -31.642 1.00 0.00 H new ATOM 571 N THR A 37 19.951 1.759 -27.782 1.00 0.00 N ATOM 572 CA THR A 37 19.245 2.470 -26.698 1.00 0.00 C ATOM 573 C THR A 37 18.765 1.485 -25.616 1.00 0.00 C ATOM 574 O THR A 37 19.041 1.686 -24.428 1.00 0.00 O ATOM 575 CB THR A 37 18.026 3.284 -27.252 1.00 0.00 C ATOM 576 OG1 THR A 37 18.484 4.284 -28.178 1.00 0.00 O ATOM 577 CG2 THR A 37 17.208 3.958 -26.129 1.00 0.00 C ATOM 0 H THR A 37 19.531 1.911 -28.699 1.00 0.00 H new ATOM 0 HA THR A 37 19.954 3.168 -26.251 1.00 0.00 H new ATOM 0 HB THR A 37 17.370 2.575 -27.757 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.828 3.849 -28.986 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.375 4.509 -26.566 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.823 3.196 -25.452 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.848 4.646 -25.576 1.00 0.00 H new ATOM 585 N TYR A 38 18.089 0.403 -26.052 1.00 0.00 N ATOM 586 CA TYR A 38 17.517 -0.608 -25.142 1.00 0.00 C ATOM 587 C TYR A 38 18.613 -1.220 -24.269 1.00 0.00 C ATOM 588 O TYR A 38 18.466 -1.309 -23.049 1.00 0.00 O ATOM 589 CB TYR A 38 16.797 -1.728 -25.938 1.00 0.00 C ATOM 590 CG TYR A 38 16.262 -2.886 -25.070 1.00 0.00 C ATOM 591 CD1 TYR A 38 15.015 -2.815 -24.460 1.00 0.00 C ATOM 592 CD2 TYR A 38 17.007 -4.051 -24.868 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.542 -3.857 -23.687 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.532 -5.088 -24.102 1.00 0.00 C ATOM 595 CZ TYR A 38 15.299 -4.987 -23.517 1.00 0.00 C ATOM 596 OH TYR A 38 14.817 -6.017 -22.757 1.00 0.00 O ATOM 0 H TYR A 38 17.925 0.207 -27.039 1.00 0.00 H new ATOM 0 HA TYR A 38 16.787 -0.109 -24.505 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.965 -1.288 -26.488 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.488 -2.134 -26.677 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.407 -1.932 -24.593 1.00 0.00 H new ATOM 0 HD2 TYR A 38 17.981 -4.138 -25.326 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.573 -3.781 -23.215 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.128 -5.978 -23.962 1.00 0.00 H new ATOM 0 HH TYR A 38 14.886 -6.855 -23.260 1.00 0.00 H new ATOM 606 N LEU A 39 19.714 -1.628 -24.918 1.00 0.00 N ATOM 607 CA LEU A 39 20.821 -2.314 -24.228 1.00 0.00 C ATOM 608 C LEU A 39 21.529 -1.401 -23.220 1.00 0.00 C ATOM 609 O LEU A 39 21.912 -1.858 -22.165 1.00 0.00 O ATOM 610 CB LEU A 39 21.840 -2.922 -25.228 1.00 0.00 C ATOM 611 CG LEU A 39 21.454 -4.315 -25.819 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.239 -4.237 -26.748 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.643 -4.958 -26.537 1.00 0.00 C ATOM 0 H LEU A 39 19.863 -1.496 -25.918 1.00 0.00 H new ATOM 0 HA LEU A 39 20.370 -3.135 -23.670 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.975 -2.222 -26.053 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.804 -3.014 -24.727 1.00 0.00 H new ATOM 0 HG LEU A 39 21.175 -4.947 -24.976 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.011 -5.231 -27.133 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.381 -3.857 -26.194 1.00 0.00 H new ATOM 0 HD13 LEU A 39 20.459 -3.568 -27.580 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.345 -5.927 -26.938 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.968 -4.312 -27.352 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.463 -5.094 -25.832 1.00 0.00 H new ATOM 625 N GLN A 40 21.718 -0.115 -23.540 1.00 0.00 N ATOM 626 CA GLN A 40 22.379 0.819 -22.596 1.00 0.00 C ATOM 627 C GLN A 40 21.428 1.256 -21.472 1.00 0.00 C ATOM 628 O GLN A 40 21.883 1.722 -20.425 1.00 0.00 O ATOM 629 CB GLN A 40 23.016 2.016 -23.344 1.00 0.00 C ATOM 630 CG GLN A 40 22.033 2.917 -24.109 1.00 0.00 C ATOM 631 CD GLN A 40 22.686 3.744 -25.223 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.658 3.162 -25.924 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.275 4.871 -25.491 1.00 0.00 N flip ATOM 0 H GLN A 40 21.432 0.305 -24.425 1.00 0.00 H new ATOM 0 HA GLN A 40 23.196 0.284 -22.112 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.556 2.628 -22.621 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.753 1.631 -24.049 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.249 2.296 -24.543 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.551 3.593 -23.403 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.529 5.288 -24.934 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.680 5.389 -26.271 1.00 0.00 H new ATOM 642 N LYS A 41 20.110 1.102 -21.696 1.00 0.00 N ATOM 643 CA LYS A 41 19.089 1.330 -20.654 1.00 0.00 C ATOM 644 C LYS A 41 18.992 0.128 -19.684 1.00 0.00 C ATOM 645 O LYS A 41 18.898 0.317 -18.464 1.00 0.00 O ATOM 646 CB LYS A 41 17.701 1.623 -21.289 1.00 0.00 C ATOM 647 CG LYS A 41 17.576 3.027 -21.926 1.00 0.00 C ATOM 648 CD LYS A 41 16.162 3.321 -22.488 1.00 0.00 C ATOM 649 CE LYS A 41 15.052 3.181 -21.428 1.00 0.00 C ATOM 650 NZ LYS A 41 15.274 4.045 -20.241 1.00 0.00 N ATOM 0 H LYS A 41 19.724 0.818 -22.596 1.00 0.00 H new ATOM 0 HA LYS A 41 19.400 2.203 -20.081 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.498 0.871 -22.052 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.934 1.515 -20.522 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.827 3.781 -21.180 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.306 3.120 -22.730 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.142 4.332 -22.896 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.956 2.640 -23.314 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.092 3.432 -21.879 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.992 2.141 -21.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.480 3.935 -19.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.159 3.768 -19.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.338 5.038 -20.542 1.00 0.00 H new ATOM 664 N ASN A 42 19.010 -1.105 -20.228 1.00 0.00 N ATOM 665 CA ASN A 42 18.766 -2.334 -19.430 1.00 0.00 C ATOM 666 C ASN A 42 20.072 -2.908 -18.836 1.00 0.00 C ATOM 667 O ASN A 42 20.101 -3.308 -17.668 1.00 0.00 O ATOM 668 CB ASN A 42 18.031 -3.403 -20.290 1.00 0.00 C ATOM 669 CG ASN A 42 16.575 -3.049 -20.637 1.00 0.00 C ATOM 670 OD1 ASN A 42 16.322 -1.830 -21.099 1.00 0.00 O flip ATOM 671 ND2 ASN A 42 15.686 -3.896 -20.537 1.00 0.00 N flip ATOM 0 H ASN A 42 19.191 -1.281 -21.216 1.00 0.00 H new ATOM 0 HA ASN A 42 18.127 -2.059 -18.591 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.587 -3.551 -21.216 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.044 -4.353 -19.755 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.905 -4.826 -20.179 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.731 -3.668 -20.812 1.00 0.00 H new ATOM 678 N ALA A 43 21.142 -2.937 -19.645 1.00 0.00 N ATOM 679 CA ALA A 43 22.464 -3.472 -19.227 1.00 0.00 C ATOM 680 C ALA A 43 23.299 -2.421 -18.477 1.00 0.00 C ATOM 681 O ALA A 43 22.943 -1.235 -18.440 1.00 0.00 O ATOM 682 CB ALA A 43 23.254 -3.991 -20.444 1.00 0.00 C ATOM 0 H ALA A 43 21.124 -2.594 -20.605 1.00 0.00 H new ATOM 0 HA ALA A 43 22.270 -4.299 -18.544 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.218 -4.378 -20.114 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.691 -4.787 -20.931 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.413 -3.175 -21.150 1.00 0.00 H new ATOM 688 N ASP A 44 24.417 -2.890 -17.882 1.00 0.00 N ATOM 689 CA ASP A 44 25.405 -2.040 -17.187 1.00 0.00 C ATOM 690 C ASP A 44 26.494 -1.589 -18.164 1.00 0.00 C ATOM 691 O ASP A 44 26.725 -2.254 -19.180 1.00 0.00 O ATOM 692 CB ASP A 44 26.036 -2.802 -15.995 1.00 0.00 C ATOM 693 CG ASP A 44 25.005 -3.182 -14.918 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.677 -2.322 -14.071 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.515 -4.335 -14.916 1.00 0.00 O ATOM 0 H ASP A 44 24.661 -3.880 -17.871 1.00 0.00 H new ATOM 0 HA ASP A 44 24.892 -1.159 -16.800 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.520 -3.706 -16.363 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.814 -2.184 -15.545 1.00 0.00 H new ATOM 700 N ALA A 45 27.189 -0.495 -17.802 1.00 0.00 N ATOM 701 CA ALA A 45 28.122 0.238 -18.698 1.00 0.00 C ATOM 702 C ALA A 45 29.185 -0.680 -19.342 1.00 0.00 C ATOM 703 O ALA A 45 29.543 -0.491 -20.507 1.00 0.00 O ATOM 704 CB ALA A 45 28.795 1.389 -17.934 1.00 0.00 C ATOM 0 H ALA A 45 27.123 -0.085 -16.870 1.00 0.00 H new ATOM 0 HA ALA A 45 27.525 0.643 -19.516 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.476 1.919 -18.600 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.033 2.079 -17.570 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.354 0.987 -17.089 1.00 0.00 H new ATOM 710 N ALA A 46 29.630 -1.693 -18.575 1.00 0.00 N ATOM 711 CA ALA A 46 30.649 -2.680 -19.012 1.00 0.00 C ATOM 712 C ALA A 46 30.227 -3.437 -20.290 1.00 0.00 C ATOM 713 O ALA A 46 31.049 -3.684 -21.184 1.00 0.00 O ATOM 714 CB ALA A 46 30.909 -3.683 -17.882 1.00 0.00 C ATOM 0 H ALA A 46 29.293 -1.855 -17.626 1.00 0.00 H new ATOM 0 HA ALA A 46 31.559 -2.128 -19.247 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.657 -4.407 -18.204 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.272 -3.153 -17.001 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.983 -4.203 -17.637 1.00 0.00 H new ATOM 720 N PHE A 47 28.934 -3.790 -20.352 1.00 0.00 N ATOM 721 CA PHE A 47 28.348 -4.566 -21.464 1.00 0.00 C ATOM 722 C PHE A 47 28.395 -3.748 -22.767 1.00 0.00 C ATOM 723 O PHE A 47 28.708 -4.272 -23.845 1.00 0.00 O ATOM 724 CB PHE A 47 26.892 -4.960 -21.101 1.00 0.00 C ATOM 725 CG PHE A 47 26.259 -5.997 -22.027 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.519 -7.356 -21.849 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.406 -5.622 -23.071 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.952 -8.303 -22.680 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.841 -6.573 -23.902 1.00 0.00 C ATOM 730 CZ PHE A 47 25.115 -7.913 -23.706 1.00 0.00 C ATOM 0 H PHE A 47 28.258 -3.545 -19.629 1.00 0.00 H new ATOM 0 HA PHE A 47 28.927 -5.476 -21.623 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.879 -5.347 -20.082 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.275 -4.062 -21.109 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.173 -7.672 -21.050 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.186 -4.577 -23.230 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.164 -9.351 -22.526 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.186 -6.268 -24.704 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.674 -8.655 -24.355 1.00 0.00 H new ATOM 740 N LEU A 48 28.106 -2.448 -22.639 1.00 0.00 N ATOM 741 CA LEU A 48 28.138 -1.507 -23.767 1.00 0.00 C ATOM 742 C LEU A 48 29.587 -1.172 -24.153 1.00 0.00 C ATOM 743 O LEU A 48 29.870 -0.864 -25.302 1.00 0.00 O ATOM 744 CB LEU A 48 27.343 -0.217 -23.437 1.00 0.00 C ATOM 745 CG LEU A 48 25.839 -0.391 -23.044 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.140 -1.492 -23.866 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.651 -0.621 -21.535 1.00 0.00 C ATOM 0 H LEU A 48 27.844 -2.018 -21.752 1.00 0.00 H new ATOM 0 HA LEU A 48 27.659 -1.986 -24.621 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.850 0.293 -22.618 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.393 0.443 -24.303 1.00 0.00 H new ATOM 0 HG LEU A 48 25.355 0.554 -23.291 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.099 -1.573 -23.555 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.183 -1.238 -24.925 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.643 -2.445 -23.700 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.590 -0.736 -21.314 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.184 -1.523 -21.235 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.046 0.233 -20.985 1.00 0.00 H new ATOM 759 N ARG A 49 30.494 -1.229 -23.176 1.00 0.00 N ATOM 760 CA ARG A 49 31.943 -1.075 -23.417 1.00 0.00 C ATOM 761 C ARG A 49 32.529 -2.353 -24.059 1.00 0.00 C ATOM 762 O ARG A 49 33.613 -2.311 -24.647 1.00 0.00 O ATOM 763 CB ARG A 49 32.660 -0.714 -22.087 1.00 0.00 C ATOM 764 CG ARG A 49 32.343 0.716 -21.578 1.00 0.00 C ATOM 765 CD ARG A 49 32.830 0.996 -20.146 1.00 0.00 C ATOM 766 NE ARG A 49 32.621 2.413 -19.761 1.00 0.00 N ATOM 767 CZ ARG A 49 32.419 2.864 -18.512 1.00 0.00 C ATOM 768 NH1 ARG A 49 32.305 2.025 -17.489 1.00 0.00 N ATOM 769 NH2 ARG A 49 32.317 4.168 -18.295 1.00 0.00 N ATOM 0 H ARG A 49 30.253 -1.382 -22.197 1.00 0.00 H new ATOM 0 HA ARG A 49 32.107 -0.260 -24.122 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.372 -1.435 -21.322 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.737 -0.810 -22.227 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.799 1.440 -22.253 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.266 0.875 -21.621 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.300 0.348 -19.448 1.00 0.00 H new ATOM 0 HD3 ARG A 49 33.889 0.750 -20.068 1.00 0.00 H new ATOM 0 HE ARG A 49 32.632 3.105 -20.510 1.00 0.00 H new ATOM 0 HH11 ARG A 49 32.371 1.019 -17.645 1.00 0.00 H new ATOM 0 HH12 ARG A 49 32.152 2.386 -16.548 1.00 0.00 H new ATOM 0 HH21 ARG A 49 32.392 4.822 -19.074 1.00 0.00 H new ATOM 0 HH22 ARG A 49 32.164 4.517 -17.349 1.00 0.00 H new ATOM 783 N HIS A 50 31.800 -3.487 -23.941 1.00 0.00 N ATOM 784 CA HIS A 50 32.161 -4.756 -24.610 1.00 0.00 C ATOM 785 C HIS A 50 31.715 -4.753 -26.089 1.00 0.00 C ATOM 786 O HIS A 50 32.459 -5.205 -26.963 1.00 0.00 O ATOM 787 CB HIS A 50 31.540 -5.977 -23.869 1.00 0.00 C ATOM 788 CG HIS A 50 31.924 -7.317 -24.460 1.00 0.00 C ATOM 789 ND1 HIS A 50 31.047 -8.118 -25.161 1.00 0.00 N ATOM 790 CD2 HIS A 50 33.106 -7.986 -24.454 1.00 0.00 C ATOM 791 CE1 HIS A 50 31.674 -9.208 -25.570 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.922 -9.153 -25.153 1.00 0.00 N ATOM 0 H HIS A 50 30.949 -3.547 -23.382 1.00 0.00 H new ATOM 0 HA HIS A 50 33.247 -4.844 -24.576 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.849 -5.950 -22.824 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.454 -5.883 -23.883 1.00 0.00 H new ATOM 0 HD1 HIS A 50 30.066 -7.903 -25.337 1.00 0.00 H new ATOM 0 HD2 HIS A 50 34.023 -7.660 -23.985 1.00 0.00 H new ATOM 0 HE1 HIS A 50 31.237 -10.008 -26.148 1.00 0.00 H new ATOM 801 N TRP A 51 30.487 -4.269 -26.356 1.00 0.00 N ATOM 802 CA TRP A 51 29.899 -4.272 -27.725 1.00 0.00 C ATOM 803 C TRP A 51 30.000 -2.898 -28.431 1.00 0.00 C ATOM 804 O TRP A 51 29.432 -2.721 -29.515 1.00 0.00 O ATOM 805 CB TRP A 51 28.421 -4.743 -27.661 1.00 0.00 C ATOM 806 CG TRP A 51 28.253 -6.165 -27.179 1.00 0.00 C ATOM 807 CD1 TRP A 51 27.800 -6.579 -25.959 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.544 -7.363 -27.922 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.780 -7.945 -25.903 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.235 -8.452 -27.090 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.038 -7.615 -29.209 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.397 -9.775 -27.494 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.194 -8.928 -29.616 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.877 -9.994 -28.759 1.00 0.00 C ATOM 0 H TRP A 51 29.875 -3.868 -25.645 1.00 0.00 H new ATOM 0 HA TRP A 51 30.484 -4.969 -28.324 1.00 0.00 H new ATOM 0 HB2 TRP A 51 27.866 -4.077 -27.000 1.00 0.00 H new ATOM 0 HB3 TRP A 51 27.977 -4.651 -28.652 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.501 -5.923 -25.155 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.474 -8.499 -25.103 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.292 -6.800 -29.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.154 -10.596 -26.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.565 -9.136 -30.608 1.00 0.00 H new ATOM 0 HH2 TRP A 51 29.014 -11.008 -29.104 1.00 0.00 H new ATOM 825 N LYS A 52 30.710 -1.942 -27.792 1.00 0.00 N ATOM 826 CA LYS A 52 30.991 -0.587 -28.347 1.00 0.00 C ATOM 827 C LYS A 52 29.716 0.276 -28.468 1.00 0.00 C ATOM 828 O LYS A 52 29.666 1.240 -29.243 1.00 0.00 O ATOM 829 CB LYS A 52 31.764 -0.659 -29.704 1.00 0.00 C ATOM 830 CG LYS A 52 33.190 -1.281 -29.649 1.00 0.00 C ATOM 831 CD LYS A 52 34.262 -0.426 -28.895 1.00 0.00 C ATOM 832 CE LYS A 52 34.242 -0.570 -27.356 1.00 0.00 C ATOM 833 NZ LYS A 52 35.369 0.151 -26.715 1.00 0.00 N ATOM 0 H LYS A 52 31.111 -2.085 -26.865 1.00 0.00 H new ATOM 0 HA LYS A 52 31.642 -0.091 -27.628 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.165 -1.235 -30.409 1.00 0.00 H new ATOM 0 HB3 LYS A 52 31.846 0.351 -30.106 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.125 -2.258 -29.169 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.535 -1.449 -30.669 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.251 -0.706 -29.259 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.114 0.623 -29.149 1.00 0.00 H new ATOM 0 HE2 LYS A 52 33.299 -0.186 -26.968 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.289 -1.626 -27.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.318 0.028 -25.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.270 -0.232 -27.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.310 1.163 -26.947 1.00 0.00 H new ATOM 847 N LEU A 53 28.711 -0.052 -27.641 1.00 0.00 N ATOM 848 CA LEU A 53 27.436 0.682 -27.566 1.00 0.00 C ATOM 849 C LEU A 53 27.502 1.817 -26.501 1.00 0.00 C ATOM 850 O LEU A 53 26.478 2.441 -26.196 1.00 0.00 O ATOM 851 CB LEU A 53 26.297 -0.302 -27.208 1.00 0.00 C ATOM 852 CG LEU A 53 26.217 -1.627 -28.029 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.108 -2.522 -27.476 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.024 -1.376 -29.540 1.00 0.00 C ATOM 0 H LEU A 53 28.760 -0.843 -26.998 1.00 0.00 H new ATOM 0 HA LEU A 53 27.243 1.138 -28.537 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.394 -0.563 -26.154 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.349 0.223 -27.320 1.00 0.00 H new ATOM 0 HG LEU A 53 27.174 -2.137 -27.920 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.061 -3.444 -28.056 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.318 -2.760 -26.433 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.153 -2.002 -27.544 1.00 0.00 H new ATOM 0 HD21 LEU A 53 25.975 -2.331 -30.064 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.098 -0.825 -29.702 1.00 0.00 H new ATOM 0 HD23 LEU A 53 26.863 -0.795 -29.922 1.00 0.00 H new ATOM 866 N THR A 54 28.709 2.074 -25.940 1.00 0.00 N ATOM 867 CA THR A 54 28.907 3.037 -24.826 1.00 0.00 C ATOM 868 C THR A 54 29.085 4.498 -25.328 1.00 0.00 C ATOM 869 O THR A 54 29.154 5.431 -24.515 1.00 0.00 O ATOM 870 CB THR A 54 30.134 2.601 -23.942 1.00 0.00 C ATOM 871 OG1 THR A 54 30.216 3.386 -22.740 1.00 0.00 O ATOM 872 CG2 THR A 54 31.470 2.701 -24.699 1.00 0.00 C ATOM 0 H THR A 54 29.571 1.622 -26.245 1.00 0.00 H new ATOM 0 HA THR A 54 28.002 3.020 -24.218 1.00 0.00 H new ATOM 0 HB THR A 54 29.963 1.556 -23.686 1.00 0.00 H new ATOM 0 HG1 THR A 54 29.758 4.242 -22.876 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.284 2.389 -24.044 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.441 2.054 -25.575 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.633 3.732 -25.015 1.00 0.00 H new ATOM 880 N GLY A 55 29.157 4.686 -26.660 1.00 0.00 N ATOM 881 CA GLY A 55 29.298 6.025 -27.259 1.00 0.00 C ATOM 882 C GLY A 55 27.949 6.663 -27.596 1.00 0.00 C ATOM 883 O GLY A 55 26.917 6.295 -27.014 1.00 0.00 O ATOM 0 H GLY A 55 29.120 3.927 -27.340 1.00 0.00 H new ATOM 0 HA2 GLY A 55 29.840 6.672 -26.569 1.00 0.00 H new ATOM 0 HA3 GLY A 55 29.898 5.952 -28.166 1.00 0.00 H new ATOM 887 N THR A 56 27.956 7.637 -28.530 1.00 0.00 N ATOM 888 CA THR A 56 26.724 8.201 -29.119 1.00 0.00 C ATOM 889 C THR A 56 26.157 7.209 -30.156 1.00 0.00 C ATOM 890 O THR A 56 26.885 6.769 -31.057 1.00 0.00 O ATOM 891 CB THR A 56 26.955 9.625 -29.763 1.00 0.00 C ATOM 892 OG1 THR A 56 25.778 10.060 -30.468 1.00 0.00 O ATOM 893 CG2 THR A 56 28.167 9.669 -30.710 1.00 0.00 C ATOM 0 H THR A 56 28.812 8.053 -28.896 1.00 0.00 H new ATOM 0 HA THR A 56 26.002 8.346 -28.316 1.00 0.00 H new ATOM 0 HB THR A 56 27.164 10.302 -28.935 1.00 0.00 H new ATOM 0 HG1 THR A 56 25.939 10.944 -30.859 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.272 10.674 -31.120 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.070 9.406 -30.158 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.019 8.959 -31.524 1.00 0.00 H new ATOM 901 N ASN A 57 24.855 6.874 -30.008 1.00 0.00 N ATOM 902 CA ASN A 57 24.174 5.804 -30.785 1.00 0.00 C ATOM 903 C ASN A 57 24.274 6.029 -32.301 1.00 0.00 C ATOM 904 O ASN A 57 24.249 5.062 -33.060 1.00 0.00 O ATOM 905 CB ASN A 57 22.688 5.664 -30.355 1.00 0.00 C ATOM 906 CG ASN A 57 22.498 5.244 -28.896 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.328 5.540 -28.032 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.410 4.540 -28.609 1.00 0.00 N ATOM 0 H ASN A 57 24.239 7.340 -29.342 1.00 0.00 H new ATOM 0 HA ASN A 57 24.694 4.873 -30.560 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.183 6.616 -30.517 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.202 4.932 -30.999 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.242 4.228 -27.652 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.742 4.311 -29.345 1.00 0.00 H new ATOM 915 N LYS A 58 24.406 7.302 -32.716 1.00 0.00 N ATOM 916 CA LYS A 58 24.624 7.695 -34.126 1.00 0.00 C ATOM 917 C LYS A 58 25.900 7.037 -34.693 1.00 0.00 C ATOM 918 O LYS A 58 25.858 6.310 -35.695 1.00 0.00 O ATOM 919 CB LYS A 58 24.768 9.241 -34.210 1.00 0.00 C ATOM 920 CG LYS A 58 25.136 9.797 -35.616 1.00 0.00 C ATOM 921 CD LYS A 58 25.656 11.255 -35.573 1.00 0.00 C ATOM 922 CE LYS A 58 26.968 11.397 -34.770 1.00 0.00 C ATOM 923 NZ LYS A 58 27.474 12.794 -34.774 1.00 0.00 N ATOM 0 H LYS A 58 24.364 8.097 -32.078 1.00 0.00 H new ATOM 0 HA LYS A 58 23.770 7.360 -34.714 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.830 9.695 -33.892 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.532 9.558 -33.500 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.897 9.159 -36.065 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.258 9.749 -36.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.818 11.609 -36.591 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.893 11.896 -35.131 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.801 11.075 -33.742 1.00 0.00 H new ATOM 0 HE3 LYS A 58 27.725 10.736 -35.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 28.355 12.846 -34.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 27.658 13.094 -35.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.763 13.422 -34.348 1.00 0.00 H new ATOM 937 N SER A 59 27.023 7.281 -34.006 1.00 0.00 N ATOM 938 CA SER A 59 28.350 6.845 -34.460 1.00 0.00 C ATOM 939 C SER A 59 28.514 5.329 -34.300 1.00 0.00 C ATOM 940 O SER A 59 29.260 4.700 -35.043 1.00 0.00 O ATOM 941 CB SER A 59 29.438 7.601 -33.677 1.00 0.00 C ATOM 942 OG SER A 59 29.259 9.002 -33.804 1.00 0.00 O ATOM 0 H SER A 59 27.038 7.786 -33.120 1.00 0.00 H new ATOM 0 HA SER A 59 28.453 7.076 -35.520 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.400 7.318 -32.625 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.423 7.319 -34.048 1.00 0.00 H new ATOM 0 HG SER A 59 29.958 9.468 -33.299 1.00 0.00 H new ATOM 948 N ILE A 60 27.790 4.749 -33.330 1.00 0.00 N ATOM 949 CA ILE A 60 27.789 3.300 -33.095 1.00 0.00 C ATOM 950 C ILE A 60 27.105 2.576 -34.270 1.00 0.00 C ATOM 951 O ILE A 60 27.643 1.631 -34.801 1.00 0.00 O ATOM 952 CB ILE A 60 27.066 2.942 -31.753 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.696 3.727 -30.558 1.00 0.00 C ATOM 954 CG2 ILE A 60 27.110 1.415 -31.487 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.857 3.725 -29.299 1.00 0.00 C ATOM 0 H ILE A 60 27.191 5.271 -32.690 1.00 0.00 H new ATOM 0 HA ILE A 60 28.825 2.970 -33.020 1.00 0.00 H new ATOM 0 HB ILE A 60 26.021 3.239 -31.846 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.672 3.298 -30.331 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.866 4.759 -30.866 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.601 1.194 -30.549 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.613 0.889 -32.302 1.00 0.00 H new ATOM 0 HG23 ILE A 60 28.147 1.087 -31.423 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.368 4.292 -28.521 1.00 0.00 H new ATOM 0 HD12 ILE A 60 25.890 4.183 -29.506 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.708 2.699 -28.962 1.00 0.00 H new ATOM 967 N ARG A 61 25.920 3.048 -34.681 1.00 0.00 N ATOM 968 CA ARG A 61 25.166 2.428 -35.802 1.00 0.00 C ATOM 969 C ARG A 61 25.773 2.797 -37.175 1.00 0.00 C ATOM 970 O ARG A 61 25.460 2.154 -38.185 1.00 0.00 O ATOM 971 CB ARG A 61 23.670 2.823 -35.738 1.00 0.00 C ATOM 972 CG ARG A 61 23.381 4.325 -35.920 1.00 0.00 C ATOM 973 CD ARG A 61 21.927 4.697 -35.599 1.00 0.00 C ATOM 974 NE ARG A 61 21.742 6.160 -35.504 1.00 0.00 N ATOM 975 CZ ARG A 61 20.860 6.887 -36.204 1.00 0.00 C ATOM 976 NH1 ARG A 61 20.096 6.328 -37.139 1.00 0.00 N ATOM 977 NH2 ARG A 61 20.763 8.188 -35.975 1.00 0.00 N ATOM 0 H ARG A 61 25.456 3.854 -34.262 1.00 0.00 H new ATOM 0 HA ARG A 61 25.245 1.346 -35.692 1.00 0.00 H new ATOM 0 HB2 ARG A 61 23.131 2.270 -36.507 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.268 2.506 -34.776 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.048 4.899 -35.276 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.605 4.611 -36.948 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.271 4.297 -36.372 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.632 4.232 -34.658 1.00 0.00 H new ATOM 0 HE ARG A 61 22.339 6.662 -34.847 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.176 5.330 -37.333 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.430 6.898 -37.661 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.356 8.628 -35.271 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.095 8.750 -36.502 1.00 0.00 H new ATOM 991 N LYS A 62 26.620 3.846 -37.211 1.00 0.00 N ATOM 992 CA LYS A 62 27.296 4.281 -38.443 1.00 0.00 C ATOM 993 C LYS A 62 28.625 3.515 -38.665 1.00 0.00 C ATOM 994 O LYS A 62 28.978 3.200 -39.809 1.00 0.00 O ATOM 995 CB LYS A 62 27.546 5.819 -38.414 1.00 0.00 C ATOM 996 CG LYS A 62 28.055 6.407 -39.749 1.00 0.00 C ATOM 997 CD LYS A 62 27.019 6.253 -40.898 1.00 0.00 C ATOM 998 CE LYS A 62 27.649 6.398 -42.291 1.00 0.00 C ATOM 999 NZ LYS A 62 28.620 5.305 -42.565 1.00 0.00 N ATOM 0 H LYS A 62 26.851 4.409 -36.392 1.00 0.00 H new ATOM 0 HA LYS A 62 26.639 4.049 -39.282 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.618 6.321 -38.140 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.272 6.042 -37.632 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.288 7.463 -39.612 1.00 0.00 H new ATOM 0 HG3 LYS A 62 28.983 5.910 -40.031 1.00 0.00 H new ATOM 0 HD2 LYS A 62 26.540 5.277 -40.821 1.00 0.00 H new ATOM 0 HD3 LYS A 62 26.237 7.002 -40.778 1.00 0.00 H new ATOM 0 HE2 LYS A 62 26.866 6.389 -43.049 1.00 0.00 H new ATOM 0 HE3 LYS A 62 28.153 7.362 -42.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 28.783 5.234 -43.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 29.519 5.511 -42.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 28.238 4.404 -42.212 1.00 0.00 H new ATOM 1013 N ASN A 63 29.358 3.226 -37.572 1.00 0.00 N ATOM 1014 CA ASN A 63 30.669 2.523 -37.637 1.00 0.00 C ATOM 1015 C ASN A 63 30.498 1.002 -37.453 1.00 0.00 C ATOM 1016 O ASN A 63 31.099 0.208 -38.182 1.00 0.00 O ATOM 1017 CB ASN A 63 31.665 3.101 -36.585 1.00 0.00 C ATOM 1018 CG ASN A 63 32.232 4.477 -36.974 1.00 0.00 C ATOM 1019 OD1 ASN A 63 33.199 4.569 -37.732 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.665 5.551 -36.446 1.00 0.00 N ATOM 0 H ASN A 63 29.068 3.468 -36.624 1.00 0.00 H new ATOM 0 HA ASN A 63 31.087 2.694 -38.629 1.00 0.00 H new ATOM 0 HB2 ASN A 63 31.159 3.183 -35.623 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.490 2.400 -36.453 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.028 6.479 -36.664 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.865 5.450 -35.821 1.00 0.00 H new ATOM 1027 N ARG A 64 29.687 0.609 -36.458 1.00 0.00 N ATOM 1028 CA ARG A 64 29.367 -0.817 -36.189 1.00 0.00 C ATOM 1029 C ARG A 64 28.156 -1.235 -37.040 1.00 0.00 C ATOM 1030 O ARG A 64 27.264 -0.419 -37.305 1.00 0.00 O ATOM 1031 CB ARG A 64 29.065 -1.088 -34.677 1.00 0.00 C ATOM 1032 CG ARG A 64 30.143 -0.619 -33.663 1.00 0.00 C ATOM 1033 CD ARG A 64 31.488 -1.388 -33.751 1.00 0.00 C ATOM 1034 NE ARG A 64 32.277 -1.038 -34.952 1.00 0.00 N ATOM 1035 CZ ARG A 64 33.110 0.018 -35.054 1.00 0.00 C ATOM 1036 NH1 ARG A 64 33.279 0.862 -34.041 1.00 0.00 N ATOM 1037 NH2 ARG A 64 33.755 0.237 -36.188 1.00 0.00 N ATOM 0 H ARG A 64 29.233 1.260 -35.817 1.00 0.00 H new ATOM 0 HA ARG A 64 30.244 -1.407 -36.454 1.00 0.00 H new ATOM 0 HB2 ARG A 64 28.123 -0.601 -34.424 1.00 0.00 H new ATOM 0 HB3 ARG A 64 28.915 -2.160 -34.545 1.00 0.00 H new ATOM 0 HG2 ARG A 64 30.335 0.442 -33.821 1.00 0.00 H new ATOM 0 HG3 ARG A 64 29.744 -0.724 -32.654 1.00 0.00 H new ATOM 0 HD2 ARG A 64 32.080 -1.177 -32.860 1.00 0.00 H new ATOM 0 HD3 ARG A 64 31.288 -2.459 -33.754 1.00 0.00 H new ATOM 0 HE ARG A 64 32.184 -1.643 -35.768 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.774 0.717 -33.167 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.914 1.655 -34.138 1.00 0.00 H new ATOM 0 HH21 ARG A 64 33.621 -0.391 -36.980 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.386 1.034 -36.270 1.00 0.00 H new ATOM 1051 N ASN A 65 28.131 -2.509 -37.449 1.00 0.00 N ATOM 1052 CA ASN A 65 27.058 -3.067 -38.294 1.00 0.00 C ATOM 1053 C ASN A 65 25.912 -3.625 -37.439 1.00 0.00 C ATOM 1054 O ASN A 65 26.042 -3.755 -36.211 1.00 0.00 O ATOM 1055 CB ASN A 65 27.623 -4.183 -39.211 1.00 0.00 C ATOM 1056 CG ASN A 65 28.663 -3.663 -40.200 1.00 0.00 C ATOM 1057 OD1 ASN A 65 29.864 -3.683 -39.932 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.208 -3.154 -41.339 1.00 0.00 N ATOM 0 H ASN A 65 28.853 -3.187 -37.205 1.00 0.00 H new ATOM 0 HA ASN A 65 26.663 -2.260 -38.911 1.00 0.00 H new ATOM 0 HB2 ASN A 65 28.072 -4.962 -38.594 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.803 -4.645 -39.761 1.00 0.00 H new ATOM 0 HD21 ASN A 65 28.860 -2.765 -42.020 1.00 0.00 H new ATOM 0 HD22 ASN A 65 27.207 -3.152 -41.533 1.00 0.00 H new ATOM 1065 N CYS A 66 24.804 -3.992 -38.120 1.00 0.00 N ATOM 1066 CA CYS A 66 23.655 -4.674 -37.496 1.00 0.00 C ATOM 1067 C CYS A 66 24.102 -5.986 -36.819 1.00 0.00 C ATOM 1068 O CYS A 66 23.562 -6.348 -35.787 1.00 0.00 O ATOM 1069 CB CYS A 66 22.565 -4.974 -38.549 1.00 0.00 C ATOM 1070 SG CYS A 66 21.880 -3.505 -39.347 1.00 0.00 S ATOM 0 H CYS A 66 24.684 -3.822 -39.119 1.00 0.00 H new ATOM 0 HA CYS A 66 23.241 -4.010 -36.737 1.00 0.00 H new ATOM 0 HB2 CYS A 66 22.985 -5.627 -39.314 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.755 -5.524 -38.070 1.00 0.00 H new ATOM 0 HG CYS A 66 20.978 -3.862 -40.213 1.00 0.00 H new ATOM 1076 N SER A 67 25.117 -6.653 -37.415 1.00 0.00 N ATOM 1077 CA SER A 67 25.702 -7.922 -36.916 1.00 0.00 C ATOM 1078 C SER A 67 26.115 -7.838 -35.427 1.00 0.00 C ATOM 1079 O SER A 67 25.803 -8.743 -34.637 1.00 0.00 O ATOM 1080 CB SER A 67 26.927 -8.293 -37.782 1.00 0.00 C ATOM 1081 OG SER A 67 26.590 -8.300 -39.162 1.00 0.00 O ATOM 0 H SER A 67 25.561 -6.320 -38.271 1.00 0.00 H new ATOM 0 HA SER A 67 24.936 -8.693 -36.991 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.732 -7.580 -37.604 1.00 0.00 H new ATOM 0 HB3 SER A 67 27.300 -9.275 -37.490 1.00 0.00 H new ATOM 0 HG SER A 67 27.381 -8.536 -39.691 1.00 0.00 H new ATOM 1087 N GLN A 68 26.788 -6.725 -35.060 1.00 0.00 N ATOM 1088 CA GLN A 68 27.212 -6.464 -33.667 1.00 0.00 C ATOM 1089 C GLN A 68 26.002 -6.356 -32.742 1.00 0.00 C ATOM 1090 O GLN A 68 26.012 -6.886 -31.639 1.00 0.00 O ATOM 1091 CB GLN A 68 28.051 -5.158 -33.564 1.00 0.00 C ATOM 1092 CG GLN A 68 29.419 -5.213 -34.268 1.00 0.00 C ATOM 1093 CD GLN A 68 30.307 -6.383 -33.817 1.00 0.00 C ATOM 1094 OE1 GLN A 68 31.095 -6.909 -34.603 1.00 0.00 O ATOM 1095 NE2 GLN A 68 30.205 -6.785 -32.545 1.00 0.00 N ATOM 0 H GLN A 68 27.051 -5.988 -35.715 1.00 0.00 H new ATOM 0 HA GLN A 68 27.831 -7.306 -33.358 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.473 -4.337 -33.988 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.209 -4.926 -32.511 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.260 -5.285 -35.344 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.948 -4.278 -34.086 1.00 0.00 H new ATOM 0 HE21 GLN A 68 29.542 -6.329 -31.918 1.00 0.00 H new ATOM 0 HE22 GLN A 68 30.790 -7.547 -32.203 1.00 0.00 H new ATOM 1104 N LEU A 69 24.978 -5.659 -33.238 1.00 0.00 N ATOM 1105 CA LEU A 69 23.745 -5.360 -32.501 1.00 0.00 C ATOM 1106 C LEU A 69 22.879 -6.620 -32.288 1.00 0.00 C ATOM 1107 O LEU A 69 22.230 -6.752 -31.243 1.00 0.00 O ATOM 1108 CB LEU A 69 22.960 -4.247 -33.256 1.00 0.00 C ATOM 1109 CG LEU A 69 23.430 -2.770 -33.017 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.926 -2.542 -33.327 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.562 -1.801 -33.829 1.00 0.00 C ATOM 0 H LEU A 69 24.981 -5.278 -34.184 1.00 0.00 H new ATOM 0 HA LEU A 69 24.008 -5.002 -31.506 1.00 0.00 H new ATOM 0 HB2 LEU A 69 23.018 -4.454 -34.325 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.910 -4.320 -32.974 1.00 0.00 H new ATOM 0 HG LEU A 69 23.306 -2.574 -31.952 1.00 0.00 H new ATOM 0 HD11 LEU A 69 25.182 -1.499 -33.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.532 -3.184 -32.688 1.00 0.00 H new ATOM 0 HD13 LEU A 69 25.122 -2.781 -34.372 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.898 -0.779 -33.655 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.649 -2.036 -34.890 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.521 -1.899 -33.520 1.00 0.00 H new ATOM 1123 N ILE A 70 22.884 -7.550 -33.271 1.00 0.00 N ATOM 1124 CA ILE A 70 22.150 -8.832 -33.154 1.00 0.00 C ATOM 1125 C ILE A 70 22.819 -9.666 -32.062 1.00 0.00 C ATOM 1126 O ILE A 70 22.167 -10.107 -31.132 1.00 0.00 O ATOM 1127 CB ILE A 70 22.142 -9.676 -34.487 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.622 -8.822 -35.682 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.284 -10.971 -34.315 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.937 -9.373 -37.061 1.00 0.00 C ATOM 0 H ILE A 70 23.386 -7.437 -34.151 1.00 0.00 H new ATOM 0 HA ILE A 70 21.113 -8.591 -32.920 1.00 0.00 H new ATOM 0 HB ILE A 70 23.167 -9.973 -34.707 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.541 -8.718 -35.589 1.00 0.00 H new ATOM 0 HG13 ILE A 70 22.047 -7.821 -35.603 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.292 -11.539 -35.245 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.702 -11.581 -33.514 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.259 -10.698 -34.065 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.532 -8.705 -37.821 1.00 0.00 H new ATOM 0 HD12 ILE A 70 23.017 -9.450 -37.184 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.488 -10.360 -37.169 1.00 0.00 H new ATOM 1142 N ALA A 71 24.148 -9.818 -32.197 1.00 0.00 N ATOM 1143 CA ALA A 71 24.989 -10.600 -31.272 1.00 0.00 C ATOM 1144 C ALA A 71 24.976 -10.011 -29.851 1.00 0.00 C ATOM 1145 O ALA A 71 25.065 -10.746 -28.870 1.00 0.00 O ATOM 1146 CB ALA A 71 26.422 -10.667 -31.810 1.00 0.00 C ATOM 0 H ALA A 71 24.676 -9.396 -32.961 1.00 0.00 H new ATOM 0 HA ALA A 71 24.576 -11.607 -31.209 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.041 -11.245 -31.124 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.421 -11.145 -32.790 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.825 -9.658 -31.899 1.00 0.00 H new ATOM 1152 N ALA A 72 24.870 -8.678 -29.772 1.00 0.00 N ATOM 1153 CA ALA A 72 24.783 -7.944 -28.498 1.00 0.00 C ATOM 1154 C ALA A 72 23.469 -8.268 -27.756 1.00 0.00 C ATOM 1155 O ALA A 72 23.494 -8.700 -26.597 1.00 0.00 O ATOM 1156 CB ALA A 72 24.915 -6.435 -28.757 1.00 0.00 C ATOM 0 H ALA A 72 24.842 -8.073 -30.593 1.00 0.00 H new ATOM 0 HA ALA A 72 25.604 -8.262 -27.856 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.850 -5.897 -27.812 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.877 -6.229 -29.226 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.112 -6.107 -29.417 1.00 0.00 H new ATOM 1162 N TYR A 73 22.324 -8.072 -28.456 1.00 0.00 N ATOM 1163 CA TYR A 73 20.973 -8.354 -27.901 1.00 0.00 C ATOM 1164 C TYR A 73 20.827 -9.855 -27.592 1.00 0.00 C ATOM 1165 O TYR A 73 20.171 -10.250 -26.613 1.00 0.00 O ATOM 1166 CB TYR A 73 19.858 -7.900 -28.889 1.00 0.00 C ATOM 1167 CG TYR A 73 18.434 -7.990 -28.302 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.870 -6.913 -27.623 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.669 -9.163 -28.385 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.621 -6.996 -27.050 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.408 -9.244 -27.820 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.893 -8.155 -27.150 1.00 0.00 C ATOM 1173 OH TYR A 73 14.653 -8.228 -26.564 1.00 0.00 O ATOM 0 H TYR A 73 22.308 -7.717 -29.412 1.00 0.00 H new ATOM 0 HA TYR A 73 20.861 -7.788 -26.976 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.052 -6.871 -29.193 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.910 -8.514 -29.788 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.426 -5.990 -27.544 1.00 0.00 H new ATOM 0 HD2 TYR A 73 18.073 -10.022 -28.901 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.213 -6.147 -26.521 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.832 -10.154 -27.903 1.00 0.00 H new ATOM 0 HH TYR A 73 14.186 -9.028 -26.884 1.00 0.00 H new ATOM 1183 N LYS A 74 21.460 -10.672 -28.442 1.00 0.00 N ATOM 1184 CA LYS A 74 21.393 -12.134 -28.367 1.00 0.00 C ATOM 1185 C LYS A 74 22.053 -12.593 -27.069 1.00 0.00 C ATOM 1186 O LYS A 74 21.396 -13.161 -26.203 1.00 0.00 O ATOM 1187 CB LYS A 74 22.099 -12.784 -29.600 1.00 0.00 C ATOM 1188 CG LYS A 74 21.490 -14.116 -30.073 1.00 0.00 C ATOM 1189 CD LYS A 74 22.332 -14.817 -31.167 1.00 0.00 C ATOM 1190 CE LYS A 74 22.550 -13.936 -32.415 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.199 -14.682 -33.523 1.00 0.00 N ATOM 0 H LYS A 74 22.039 -10.332 -29.209 1.00 0.00 H new ATOM 0 HA LYS A 74 20.350 -12.449 -28.378 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.074 -12.076 -30.429 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.148 -12.949 -29.353 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.387 -14.785 -29.218 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.487 -13.933 -30.457 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.300 -15.094 -30.751 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.836 -15.741 -31.463 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.590 -13.547 -32.755 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.166 -13.077 -32.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.325 -14.050 -34.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.127 -15.032 -33.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.600 -15.487 -33.797 1.00 0.00 H new ATOM 1205 N ASP A 75 23.339 -12.225 -26.927 1.00 0.00 N ATOM 1206 CA ASP A 75 24.162 -12.542 -25.749 1.00 0.00 C ATOM 1207 C ASP A 75 23.522 -11.987 -24.467 1.00 0.00 C ATOM 1208 O ASP A 75 23.677 -12.574 -23.422 1.00 0.00 O ATOM 1209 CB ASP A 75 25.593 -11.965 -25.920 1.00 0.00 C ATOM 1210 CG ASP A 75 26.529 -12.237 -24.711 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.193 -13.293 -24.677 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.618 -11.381 -23.800 1.00 0.00 O ATOM 0 H ASP A 75 23.841 -11.692 -27.637 1.00 0.00 H new ATOM 0 HA ASP A 75 24.224 -13.627 -25.662 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.041 -12.391 -26.817 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.524 -10.889 -26.079 1.00 0.00 H new ATOM 1217 N PHE A 76 22.813 -10.856 -24.583 1.00 0.00 N ATOM 1218 CA PHE A 76 22.116 -10.194 -23.461 1.00 0.00 C ATOM 1219 C PHE A 76 20.988 -11.093 -22.884 1.00 0.00 C ATOM 1220 O PHE A 76 20.935 -11.376 -21.658 1.00 0.00 O ATOM 1221 CB PHE A 76 21.557 -8.829 -23.959 1.00 0.00 C ATOM 1222 CG PHE A 76 20.996 -7.919 -22.880 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.744 -7.634 -21.742 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.729 -7.338 -23.001 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.251 -6.804 -20.765 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.240 -6.504 -22.018 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.003 -6.241 -20.899 1.00 0.00 C ATOM 0 H PHE A 76 22.703 -10.364 -25.470 1.00 0.00 H new ATOM 0 HA PHE A 76 22.821 -10.022 -22.648 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.354 -8.298 -24.479 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.772 -9.023 -24.691 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.725 -8.071 -21.625 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.128 -7.545 -23.874 1.00 0.00 H new ATOM 0 HE1 PHE A 76 21.845 -6.593 -19.888 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.262 -6.058 -22.124 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.619 -5.591 -20.126 1.00 0.00 H new ATOM 1237 N CYS A 77 20.109 -11.565 -23.782 1.00 0.00 N ATOM 1238 CA CYS A 77 18.981 -12.445 -23.414 1.00 0.00 C ATOM 1239 C CYS A 77 19.492 -13.817 -22.923 1.00 0.00 C ATOM 1240 O CYS A 77 18.950 -14.393 -21.969 1.00 0.00 O ATOM 1241 CB CYS A 77 18.021 -12.613 -24.609 1.00 0.00 C ATOM 1242 SG CYS A 77 16.542 -13.576 -24.232 1.00 0.00 S ATOM 0 H CYS A 77 20.156 -11.351 -24.778 1.00 0.00 H new ATOM 0 HA CYS A 77 18.433 -11.979 -22.595 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.720 -11.627 -24.961 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.557 -13.094 -25.427 1.00 0.00 H new ATOM 0 HG CYS A 77 15.797 -13.661 -25.294 1.00 0.00 H new ATOM 1248 N GLU A 78 20.569 -14.302 -23.559 1.00 0.00 N ATOM 1249 CA GLU A 78 21.226 -15.574 -23.202 1.00 0.00 C ATOM 1250 C GLU A 78 22.058 -15.422 -21.909 1.00 0.00 C ATOM 1251 O GLU A 78 22.329 -16.409 -21.218 1.00 0.00 O ATOM 1252 CB GLU A 78 22.137 -16.038 -24.363 1.00 0.00 C ATOM 1253 CG GLU A 78 21.424 -16.198 -25.722 1.00 0.00 C ATOM 1254 CD GLU A 78 20.298 -17.249 -25.731 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.613 -18.463 -25.713 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.099 -16.873 -25.758 1.00 0.00 O ATOM 0 H GLU A 78 21.014 -13.821 -24.341 1.00 0.00 H new ATOM 0 HA GLU A 78 20.453 -16.322 -23.026 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.950 -15.321 -24.477 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.590 -16.992 -24.092 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.007 -15.234 -26.015 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.163 -16.469 -26.476 1.00 0.00 H new ATOM 1263 N HIS A 79 22.468 -14.174 -21.608 1.00 0.00 N ATOM 1264 CA HIS A 79 23.198 -13.818 -20.362 1.00 0.00 C ATOM 1265 C HIS A 79 22.267 -14.010 -19.165 1.00 0.00 C ATOM 1266 O HIS A 79 22.697 -14.463 -18.099 1.00 0.00 O ATOM 1267 CB HIS A 79 23.735 -12.339 -20.402 1.00 0.00 C ATOM 1268 CG HIS A 79 25.178 -12.174 -19.997 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.210 -12.146 -20.911 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.756 -12.023 -18.781 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.357 -11.991 -20.278 1.00 0.00 C ATOM 1272 NE2 HIS A 79 27.111 -11.913 -18.982 1.00 0.00 N ATOM 0 H HIS A 79 22.304 -13.376 -22.222 1.00 0.00 H new ATOM 0 HA HIS A 79 24.064 -14.474 -20.271 1.00 0.00 H new ATOM 0 HB2 HIS A 79 23.610 -11.950 -21.413 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.117 -11.726 -19.746 1.00 0.00 H new ATOM 0 HD1 HIS A 79 26.103 -12.232 -21.922 1.00 0.00 H new ATOM 0 HD2 HIS A 79 25.246 -11.994 -17.829 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.332 -11.937 -20.740 1.00 0.00 H new ATOM 1281 N GLY A 80 20.984 -13.652 -19.363 1.00 0.00 N ATOM 1282 CA GLY A 80 19.973 -13.849 -18.316 1.00 0.00 C ATOM 1283 C GLY A 80 19.740 -12.577 -17.532 1.00 0.00 C ATOM 1284 O GLY A 80 19.703 -12.604 -16.295 1.00 0.00 O ATOM 0 H GLY A 80 20.631 -13.233 -20.223 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.037 -14.177 -18.768 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.295 -14.641 -17.640 1.00 0.00 H new ATOM 1288 N THR A 81 19.659 -11.463 -18.279 1.00 0.00 N ATOM 1289 CA THR A 81 19.605 -10.082 -17.756 1.00 0.00 C ATOM 1290 C THR A 81 18.679 -9.893 -16.530 1.00 0.00 C ATOM 1291 O THR A 81 17.549 -10.393 -16.481 1.00 0.00 O ATOM 1292 CB THR A 81 19.180 -9.088 -18.887 1.00 0.00 C ATOM 1293 OG1 THR A 81 18.953 -7.770 -18.350 1.00 0.00 O ATOM 1294 CG2 THR A 81 17.929 -9.557 -19.648 1.00 0.00 C ATOM 0 H THR A 81 19.628 -11.497 -19.298 1.00 0.00 H new ATOM 0 HA THR A 81 20.616 -9.867 -17.410 1.00 0.00 H new ATOM 0 HB THR A 81 20.007 -9.057 -19.597 1.00 0.00 H new ATOM 0 HG1 THR A 81 19.240 -7.097 -19.002 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.679 -8.830 -20.421 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.126 -10.524 -20.110 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.094 -9.650 -18.953 1.00 0.00 H new ATOM 1302 N LYS A 82 19.202 -9.129 -15.558 1.00 0.00 N ATOM 1303 CA LYS A 82 18.550 -8.842 -14.272 1.00 0.00 C ATOM 1304 C LYS A 82 17.728 -7.529 -14.341 1.00 0.00 C ATOM 1305 O LYS A 82 17.366 -6.962 -13.302 1.00 0.00 O ATOM 1306 CB LYS A 82 19.648 -8.732 -13.177 1.00 0.00 C ATOM 1307 CG LYS A 82 20.517 -10.001 -13.002 1.00 0.00 C ATOM 1308 CD LYS A 82 21.704 -9.783 -12.033 1.00 0.00 C ATOM 1309 CE LYS A 82 21.264 -9.315 -10.628 1.00 0.00 C ATOM 1310 NZ LYS A 82 22.423 -9.022 -9.751 1.00 0.00 N ATOM 0 H LYS A 82 20.115 -8.682 -15.648 1.00 0.00 H new ATOM 0 HA LYS A 82 17.858 -9.649 -14.032 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.300 -7.892 -13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.170 -8.501 -12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.894 -10.814 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.899 -10.312 -13.974 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.264 -10.713 -11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.382 -9.044 -12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.645 -8.423 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.646 -10.085 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.083 -8.711 -8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.001 -9.880 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.000 -8.269 -10.178 1.00 0.00 H new ATOM 1324 N SER A 83 17.422 -7.072 -15.577 1.00 0.00 N ATOM 1325 CA SER A 83 16.665 -5.825 -15.832 1.00 0.00 C ATOM 1326 C SER A 83 15.222 -5.890 -15.268 1.00 0.00 C ATOM 1327 O SER A 83 14.603 -4.854 -14.990 1.00 0.00 O ATOM 1328 CB SER A 83 16.633 -5.540 -17.350 1.00 0.00 C ATOM 1329 OG SER A 83 15.992 -4.309 -17.635 1.00 0.00 O ATOM 0 H SER A 83 17.695 -7.561 -16.430 1.00 0.00 H new ATOM 0 HA SER A 83 17.176 -5.013 -15.314 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.651 -5.520 -17.739 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.113 -6.349 -17.862 1.00 0.00 H new ATOM 0 HG SER A 83 15.488 -4.013 -16.848 1.00 0.00 H new ATOM 1335 N GLY A 84 14.719 -7.122 -15.070 1.00 0.00 N ATOM 1336 CA GLY A 84 13.348 -7.360 -14.606 1.00 0.00 C ATOM 1337 C GLY A 84 12.521 -8.133 -15.626 1.00 0.00 C ATOM 1338 O GLY A 84 11.289 -8.213 -15.508 1.00 0.00 O ATOM 0 H GLY A 84 15.254 -7.976 -15.228 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.375 -7.914 -13.668 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.866 -6.405 -14.398 1.00 0.00 H new ATOM 1342 N LEU A 85 13.214 -8.733 -16.623 1.00 0.00 N ATOM 1343 CA LEU A 85 12.581 -9.555 -17.667 1.00 0.00 C ATOM 1344 C LEU A 85 12.283 -10.965 -17.123 1.00 0.00 C ATOM 1345 O LEU A 85 12.994 -11.934 -17.415 1.00 0.00 O ATOM 1346 CB LEU A 85 13.475 -9.625 -18.935 1.00 0.00 C ATOM 1347 CG LEU A 85 13.828 -8.267 -19.618 1.00 0.00 C ATOM 1348 CD1 LEU A 85 14.669 -8.505 -20.890 1.00 0.00 C ATOM 1349 CD2 LEU A 85 12.557 -7.432 -19.932 1.00 0.00 C ATOM 0 H LEU A 85 14.226 -8.657 -16.721 1.00 0.00 H new ATOM 0 HA LEU A 85 11.638 -9.088 -17.953 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.406 -10.124 -18.668 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.975 -10.256 -19.670 1.00 0.00 H new ATOM 0 HG LEU A 85 14.425 -7.686 -18.915 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.906 -7.548 -21.354 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.593 -9.018 -20.624 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.102 -9.117 -21.592 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.846 -6.494 -20.407 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.909 -7.995 -20.604 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.023 -7.220 -19.006 1.00 0.00 H new ATOM 1361 N ASN A 86 11.248 -11.047 -16.276 1.00 0.00 N ATOM 1362 CA ASN A 86 10.788 -12.302 -15.663 1.00 0.00 C ATOM 1363 C ASN A 86 9.394 -12.633 -16.226 1.00 0.00 C ATOM 1364 O ASN A 86 8.378 -12.507 -15.533 1.00 0.00 O ATOM 1365 CB ASN A 86 10.764 -12.205 -14.100 1.00 0.00 C ATOM 1366 CG ASN A 86 12.136 -12.012 -13.418 1.00 0.00 C ATOM 1367 OD1 ASN A 86 12.978 -11.123 -13.934 1.00 0.00 O flip ATOM 1368 ND2 ASN A 86 12.410 -12.625 -12.384 1.00 0.00 N flip ATOM 0 H ASN A 86 10.700 -10.235 -15.993 1.00 0.00 H new ATOM 0 HA ASN A 86 11.484 -13.104 -15.910 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.118 -11.374 -13.816 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.308 -13.113 -13.705 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.750 -13.304 -12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.296 -12.453 -11.909 1.00 0.00 H new ATOM 1375 N GLN A 87 9.357 -12.986 -17.528 1.00 0.00 N ATOM 1376 CA GLN A 87 8.120 -13.377 -18.220 1.00 0.00 C ATOM 1377 C GLN A 87 7.755 -14.813 -17.789 1.00 0.00 C ATOM 1378 O GLN A 87 8.248 -15.795 -18.354 1.00 0.00 O ATOM 1379 CB GLN A 87 8.283 -13.262 -19.771 1.00 0.00 C ATOM 1380 CG GLN A 87 8.381 -11.825 -20.344 1.00 0.00 C ATOM 1381 CD GLN A 87 9.613 -11.039 -19.887 1.00 0.00 C ATOM 1382 OE1 GLN A 87 9.573 -10.320 -18.889 1.00 0.00 O ATOM 1383 NE2 GLN A 87 10.726 -11.203 -20.589 1.00 0.00 N ATOM 0 H GLN A 87 10.184 -13.007 -18.124 1.00 0.00 H new ATOM 0 HA GLN A 87 7.310 -12.702 -17.944 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.179 -13.809 -20.063 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.437 -13.762 -20.242 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.386 -11.882 -21.433 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.487 -11.272 -20.057 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.726 -11.806 -21.412 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.582 -10.726 -20.306 1.00 0.00 H new ATOM 1392 N GLY A 88 6.915 -14.897 -16.752 1.00 0.00 N ATOM 1393 CA GLY A 88 6.540 -16.160 -16.117 1.00 0.00 C ATOM 1394 C GLY A 88 5.501 -15.939 -15.015 1.00 0.00 C ATOM 1395 O GLY A 88 5.462 -14.828 -14.438 1.00 0.00 O ATOM 1396 OXT GLY A 88 4.716 -16.862 -14.721 1.00 0.00 O ATOM 0 H GLY A 88 6.473 -14.081 -16.328 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.139 -16.842 -16.867 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.426 -16.635 -15.695 1.00 0.00 H new TER 1400 GLY A 88