USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 368 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 58 THR OG1 : rot -79:sc= 0.202 USER MOD Set 1.2: A 61 SER OG : rot 38:sc= 0.698 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.21 K(o=-2.2,f=-6.2!) USER MOD Single : A 18 THR OG1 : rot 154:sc= -2.63 USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= 0.361 (180deg=-0.221) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0.097) USER MOD Single : A 35 GLN : amide:sc= -0.482 K(o=-0.48,f=-3.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -32:sc= -2.26! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -4.386 34.299 -5.313 1.00 0.00 N ATOM 33 CA GLU A 3 -3.242 35.237 -5.133 1.00 0.00 C ATOM 34 C GLU A 3 -1.955 34.440 -4.941 1.00 0.00 C ATOM 35 O GLU A 3 -0.875 34.909 -5.235 1.00 0.00 O ATOM 36 CB GLU A 3 -3.488 36.114 -3.904 1.00 0.00 C ATOM 37 CG GLU A 3 -4.609 37.111 -4.204 1.00 0.00 C ATOM 38 CD GLU A 3 -5.707 36.990 -3.144 1.00 0.00 C ATOM 39 OE1 GLU A 3 -5.547 36.186 -2.239 1.00 0.00 O ATOM 40 OE2 GLU A 3 -6.691 37.703 -3.255 1.00 0.00 O ATOM 0 HA GLU A 3 -3.149 35.869 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.758 35.493 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.576 36.646 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.212 38.126 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.023 36.919 -5.194 1.00 0.00 H new ATOM 47 N CYS A 4 -2.059 33.237 -4.455 1.00 0.00 N ATOM 48 CA CYS A 4 -0.832 32.420 -4.254 1.00 0.00 C ATOM 49 C CYS A 4 -1.099 30.959 -4.611 1.00 0.00 C ATOM 50 O CYS A 4 -1.776 30.245 -3.899 1.00 0.00 O ATOM 51 CB CYS A 4 -0.372 32.506 -2.797 1.00 0.00 C ATOM 52 SG CYS A 4 1.222 31.661 -2.629 1.00 0.00 S ATOM 0 H CYS A 4 -2.934 32.786 -4.190 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.051 32.812 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -0.279 33.549 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.112 32.047 -2.141 1.00 0.00 H new ATOM 57 N ASP A 5 -0.550 30.507 -5.704 1.00 0.00 N ATOM 58 CA ASP A 5 -0.744 29.089 -6.111 1.00 0.00 C ATOM 59 C ASP A 5 0.623 28.402 -6.144 1.00 0.00 C ATOM 60 O ASP A 5 0.788 27.344 -6.720 1.00 0.00 O ATOM 61 CB ASP A 5 -1.377 29.038 -7.504 1.00 0.00 C ATOM 62 CG ASP A 5 -2.728 28.326 -7.427 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.249 28.200 -6.331 1.00 0.00 O ATOM 64 OD2 ASP A 5 -3.221 27.918 -8.467 1.00 0.00 O ATOM 0 H ASP A 5 0.027 31.062 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.400 28.583 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.508 30.048 -7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.717 28.514 -8.196 1.00 0.00 H new ATOM 69 N CYS A 6 1.606 29.008 -5.533 1.00 0.00 N ATOM 70 CA CYS A 6 2.973 28.414 -5.525 1.00 0.00 C ATOM 71 C CYS A 6 3.769 29.044 -4.377 1.00 0.00 C ATOM 72 O CYS A 6 4.162 30.193 -4.439 1.00 0.00 O ATOM 73 CB CYS A 6 3.639 28.713 -6.874 1.00 0.00 C ATOM 74 SG CYS A 6 5.447 28.606 -6.743 1.00 0.00 S ATOM 0 H CYS A 6 1.519 29.895 -5.036 1.00 0.00 H new ATOM 0 HA CYS A 6 2.934 27.335 -5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.283 28.007 -7.624 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.353 29.709 -7.212 1.00 0.00 H new ATOM 79 N SER A 7 3.996 28.308 -3.324 1.00 0.00 N ATOM 80 CA SER A 7 4.750 28.874 -2.167 1.00 0.00 C ATOM 81 C SER A 7 6.255 28.685 -2.374 1.00 0.00 C ATOM 82 O SER A 7 7.030 28.761 -1.442 1.00 0.00 O ATOM 83 CB SER A 7 4.322 28.161 -0.886 1.00 0.00 C ATOM 84 OG SER A 7 4.372 29.077 0.200 1.00 0.00 O ATOM 0 H SER A 7 3.693 27.340 -3.214 1.00 0.00 H new ATOM 0 HA SER A 7 4.533 29.939 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.313 27.765 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.978 27.312 -0.692 1.00 0.00 H new ATOM 0 HG SER A 7 4.096 28.623 1.024 1.00 0.00 H new ATOM 90 N SER A 8 6.680 28.443 -3.583 1.00 0.00 N ATOM 91 CA SER A 8 8.136 28.257 -3.831 1.00 0.00 C ATOM 92 C SER A 8 8.794 29.632 -4.010 1.00 0.00 C ATOM 93 O SER A 8 8.493 30.336 -4.953 1.00 0.00 O ATOM 94 CB SER A 8 8.333 27.428 -5.101 1.00 0.00 C ATOM 95 OG SER A 8 8.117 26.056 -4.803 1.00 0.00 O ATOM 0 H SER A 8 6.084 28.366 -4.407 1.00 0.00 H new ATOM 0 HA SER A 8 8.591 27.739 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.640 27.757 -5.875 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.340 27.573 -5.492 1.00 0.00 H new ATOM 0 HG SER A 8 8.241 25.521 -5.615 1.00 0.00 H new ATOM 101 N PRO A 9 9.667 29.981 -3.097 1.00 0.00 N ATOM 102 CA PRO A 9 10.372 31.274 -3.133 1.00 0.00 C ATOM 103 C PRO A 9 11.511 31.237 -4.156 1.00 0.00 C ATOM 104 O PRO A 9 12.269 32.177 -4.288 1.00 0.00 O ATOM 105 CB PRO A 9 10.920 31.426 -1.711 1.00 0.00 C ATOM 106 CG PRO A 9 10.994 29.998 -1.119 1.00 0.00 C ATOM 107 CD PRO A 9 10.033 29.126 -1.949 1.00 0.00 C ATOM 0 HA PRO A 9 9.728 32.103 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.904 31.894 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.271 32.063 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.011 29.610 -1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.706 29.999 -0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.514 28.204 -2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.155 28.839 -1.370 1.00 0.00 H new ATOM 115 N GLU A 10 11.637 30.160 -4.881 1.00 0.00 N ATOM 116 CA GLU A 10 12.728 30.070 -5.892 1.00 0.00 C ATOM 117 C GLU A 10 12.124 29.821 -7.274 1.00 0.00 C ATOM 118 O GLU A 10 12.782 29.967 -8.285 1.00 0.00 O ATOM 119 CB GLU A 10 13.669 28.920 -5.530 1.00 0.00 C ATOM 120 CG GLU A 10 15.115 29.420 -5.561 1.00 0.00 C ATOM 121 CD GLU A 10 15.909 28.625 -6.599 1.00 0.00 C ATOM 122 OE1 GLU A 10 15.956 27.412 -6.478 1.00 0.00 O ATOM 123 OE2 GLU A 10 16.458 29.244 -7.497 1.00 0.00 O ATOM 0 H GLU A 10 11.033 29.340 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 10 13.288 31.005 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.427 28.535 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.542 28.096 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.138 30.482 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.570 29.309 -4.577 1.00 0.00 H new ATOM 130 N ASN A 11 10.874 29.449 -7.330 1.00 0.00 N ATOM 131 CA ASN A 11 10.235 29.197 -8.649 1.00 0.00 C ATOM 132 C ASN A 11 10.103 30.526 -9.403 1.00 0.00 C ATOM 133 O ASN A 11 9.718 31.524 -8.826 1.00 0.00 O ATOM 134 CB ASN A 11 8.849 28.587 -8.432 1.00 0.00 C ATOM 135 CG ASN A 11 8.771 27.226 -9.126 1.00 0.00 C ATOM 136 OD1 ASN A 11 9.679 26.840 -9.837 1.00 0.00 O ATOM 137 ND2 ASN A 11 7.717 26.477 -8.950 1.00 0.00 N ATOM 0 H ASN A 11 10.270 29.309 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 11 10.845 28.506 -9.231 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.654 28.474 -7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.082 29.253 -8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.655 25.568 -9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.955 26.800 -8.354 1.00 0.00 H new ATOM 144 N PRO A 12 10.439 30.507 -10.669 1.00 0.00 N ATOM 145 CA PRO A 12 10.381 31.705 -11.525 1.00 0.00 C ATOM 146 C PRO A 12 8.946 31.995 -11.977 1.00 0.00 C ATOM 147 O PRO A 12 8.457 33.100 -11.852 1.00 0.00 O ATOM 148 CB PRO A 12 11.260 31.332 -12.723 1.00 0.00 C ATOM 149 CG PRO A 12 11.301 29.786 -12.770 1.00 0.00 C ATOM 150 CD PRO A 12 10.908 29.290 -11.366 1.00 0.00 C ATOM 0 HA PRO A 12 10.717 32.605 -11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.849 31.738 -13.647 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.263 31.744 -12.612 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.612 29.403 -13.523 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.296 29.433 -13.041 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.125 28.533 -11.416 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.756 28.838 -10.851 1.00 0.00 H new ATOM 158 N CYS A 13 8.272 31.018 -12.518 1.00 0.00 N ATOM 159 CA CYS A 13 6.878 31.247 -12.993 1.00 0.00 C ATOM 160 C CYS A 13 6.042 31.903 -11.893 1.00 0.00 C ATOM 161 O CYS A 13 5.495 32.972 -12.078 1.00 0.00 O ATOM 162 CB CYS A 13 6.244 29.914 -13.391 1.00 0.00 C ATOM 163 SG CYS A 13 6.272 29.762 -15.194 1.00 0.00 S ATOM 0 H CYS A 13 8.626 30.071 -12.652 1.00 0.00 H new ATOM 0 HA CYS A 13 6.907 31.910 -13.857 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.789 29.087 -12.935 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.219 29.861 -13.025 1.00 0.00 H new ATOM 168 N CYS A 14 5.923 31.277 -10.754 1.00 0.00 N ATOM 169 CA CYS A 14 5.104 31.889 -9.672 1.00 0.00 C ATOM 170 C CYS A 14 5.888 33.009 -8.990 1.00 0.00 C ATOM 171 O CYS A 14 6.887 32.786 -8.336 1.00 0.00 O ATOM 172 CB CYS A 14 4.691 30.826 -8.653 1.00 0.00 C ATOM 173 SG CYS A 14 6.124 30.244 -7.718 1.00 0.00 S ATOM 0 H CYS A 14 6.352 30.380 -10.528 1.00 0.00 H new ATOM 0 HA CYS A 14 4.201 32.314 -10.111 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.949 31.239 -7.970 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.220 29.987 -9.166 1.00 0.00 H new ATOM 178 N ASP A 15 5.428 34.219 -9.144 1.00 0.00 N ATOM 179 CA ASP A 15 6.119 35.377 -8.517 1.00 0.00 C ATOM 180 C ASP A 15 6.102 35.213 -6.998 1.00 0.00 C ATOM 181 O ASP A 15 5.060 35.013 -6.401 1.00 0.00 O ATOM 182 CB ASP A 15 5.386 36.665 -8.893 1.00 0.00 C ATOM 183 CG ASP A 15 6.139 37.373 -10.021 1.00 0.00 C ATOM 184 OD1 ASP A 15 6.741 36.685 -10.829 1.00 0.00 O ATOM 185 OD2 ASP A 15 6.102 38.593 -10.056 1.00 0.00 O ATOM 0 H ASP A 15 4.595 34.456 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 15 7.149 35.424 -8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.368 36.437 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.311 37.320 -8.025 1.00 0.00 H new ATOM 190 N ALA A 16 7.245 35.303 -6.373 1.00 0.00 N ATOM 191 CA ALA A 16 7.300 35.161 -4.892 1.00 0.00 C ATOM 192 C ALA A 16 6.602 36.360 -4.251 1.00 0.00 C ATOM 193 O ALA A 16 5.900 36.232 -3.268 1.00 0.00 O ATOM 194 CB ALA A 16 8.760 35.113 -4.438 1.00 0.00 C ATOM 0 H ALA A 16 8.144 35.469 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 16 6.800 34.241 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.801 35.009 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.258 34.262 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.263 36.034 -4.733 1.00 0.00 H new ATOM 200 N ALA A 17 6.786 37.528 -4.805 1.00 0.00 N ATOM 201 CA ALA A 17 6.126 38.734 -4.235 1.00 0.00 C ATOM 202 C ALA A 17 4.612 38.535 -4.280 1.00 0.00 C ATOM 203 O ALA A 17 3.941 38.559 -3.266 1.00 0.00 O ATOM 204 CB ALA A 17 6.507 39.964 -5.061 1.00 0.00 C ATOM 0 H ALA A 17 7.365 37.698 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 17 6.449 38.882 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.023 40.847 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.589 40.097 -5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.181 39.825 -6.092 1.00 0.00 H new ATOM 210 N THR A 18 4.070 38.324 -5.447 1.00 0.00 N ATOM 211 CA THR A 18 2.602 38.108 -5.558 1.00 0.00 C ATOM 212 C THR A 18 2.274 36.695 -5.072 1.00 0.00 C ATOM 213 O THR A 18 1.146 36.387 -4.741 1.00 0.00 O ATOM 214 CB THR A 18 2.169 38.262 -7.018 1.00 0.00 C ATOM 215 OG1 THR A 18 3.023 37.486 -7.847 1.00 0.00 O ATOM 216 CG2 THR A 18 2.256 39.733 -7.427 1.00 0.00 C ATOM 0 H THR A 18 4.581 38.292 -6.329 1.00 0.00 H new ATOM 0 HA THR A 18 2.072 38.842 -4.950 1.00 0.00 H new ATOM 0 HB THR A 18 1.141 37.918 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.546 37.237 -8.666 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.947 39.840 -8.467 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.600 40.327 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.283 40.082 -7.316 1.00 0.00 H new ATOM 224 N CYS A 19 3.258 35.838 -5.022 1.00 0.00 N ATOM 225 CA CYS A 19 3.015 34.445 -4.554 1.00 0.00 C ATOM 226 C CYS A 19 2.312 33.644 -5.651 1.00 0.00 C ATOM 227 O CYS A 19 1.896 32.524 -5.437 1.00 0.00 O ATOM 228 CB CYS A 19 2.122 34.486 -3.310 1.00 0.00 C ATOM 229 SG CYS A 19 2.549 33.124 -2.196 1.00 0.00 S ATOM 0 H CYS A 19 4.221 36.044 -5.286 1.00 0.00 H new ATOM 0 HA CYS A 19 3.967 33.970 -4.316 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.244 35.439 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.074 34.413 -3.602 1.00 0.00 H new ATOM 234 N LYS A 20 2.171 34.202 -6.825 1.00 0.00 N ATOM 235 CA LYS A 20 1.477 33.450 -7.912 1.00 0.00 C ATOM 236 C LYS A 20 2.165 33.682 -9.260 1.00 0.00 C ATOM 237 O LYS A 20 3.054 34.497 -9.390 1.00 0.00 O ATOM 238 CB LYS A 20 0.017 33.903 -7.997 1.00 0.00 C ATOM 239 CG LYS A 20 -0.053 35.429 -8.081 1.00 0.00 C ATOM 240 CD LYS A 20 -0.026 35.863 -9.548 1.00 0.00 C ATOM 241 CE LYS A 20 -1.457 35.934 -10.086 1.00 0.00 C ATOM 242 NZ LYS A 20 -1.743 34.722 -10.903 1.00 0.00 N ATOM 0 H LYS A 20 2.502 35.134 -7.076 1.00 0.00 H new ATOM 0 HA LYS A 20 1.521 32.386 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.459 33.460 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.533 33.553 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.963 35.788 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.786 35.872 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.458 36.835 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.560 35.157 -10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.164 36.003 -9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.585 36.832 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.539 34.915 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.902 34.473 -11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.988 33.930 -10.275 1.00 0.00 H new ATOM 256 N LEU A 21 1.751 32.955 -10.265 1.00 0.00 N ATOM 257 CA LEU A 21 2.369 33.101 -11.619 1.00 0.00 C ATOM 258 C LEU A 21 2.051 34.478 -12.197 1.00 0.00 C ATOM 259 O LEU A 21 0.906 34.847 -12.374 1.00 0.00 O ATOM 260 CB LEU A 21 1.832 32.011 -12.554 1.00 0.00 C ATOM 261 CG LEU A 21 1.510 30.748 -11.747 1.00 0.00 C ATOM 262 CD1 LEU A 21 -0.005 30.602 -11.609 1.00 0.00 C ATOM 263 CD2 LEU A 21 2.074 29.521 -12.464 1.00 0.00 C ATOM 0 H LEU A 21 1.006 32.261 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 21 3.450 32.997 -11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.937 32.366 -13.065 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.569 31.784 -13.324 1.00 0.00 H new ATOM 0 HG LEU A 21 1.961 30.829 -10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.233 29.704 -11.035 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.409 31.474 -11.094 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.455 30.524 -12.599 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.843 28.625 -11.888 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.626 29.441 -13.455 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.155 29.621 -12.562 1.00 0.00 H new ATOM 275 N ARG A 22 3.067 35.237 -12.495 1.00 0.00 N ATOM 276 CA ARG A 22 2.853 36.595 -13.068 1.00 0.00 C ATOM 277 C ARG A 22 2.462 36.501 -14.554 1.00 0.00 C ATOM 278 O ARG A 22 1.565 37.198 -14.986 1.00 0.00 O ATOM 279 CB ARG A 22 4.140 37.416 -12.913 1.00 0.00 C ATOM 280 CG ARG A 22 4.077 38.663 -13.797 1.00 0.00 C ATOM 281 CD ARG A 22 5.442 39.352 -13.798 1.00 0.00 C ATOM 282 NE ARG A 22 5.323 40.697 -14.425 1.00 0.00 N ATOM 283 CZ ARG A 22 6.331 41.198 -15.083 1.00 0.00 C ATOM 284 NH1 ARG A 22 6.799 40.577 -16.131 1.00 0.00 N ATOM 285 NH2 ARG A 22 6.873 42.319 -14.693 1.00 0.00 N ATOM 0 H ARG A 22 4.044 34.973 -12.365 1.00 0.00 H new ATOM 0 HA ARG A 22 2.039 37.084 -12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.272 37.706 -11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.003 36.809 -13.187 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.795 38.388 -14.813 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.312 39.346 -13.428 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.813 39.447 -12.778 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.165 38.747 -14.345 1.00 0.00 H new ATOM 0 HE ARG A 22 4.455 41.225 -14.340 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.376 39.700 -16.435 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.588 40.969 -16.646 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.508 42.804 -13.873 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.662 42.711 -15.208 1.00 0.00 H new ATOM 299 N PRO A 23 3.139 35.656 -15.303 1.00 0.00 N ATOM 300 CA PRO A 23 2.856 35.488 -16.741 1.00 0.00 C ATOM 301 C PRO A 23 1.607 34.625 -16.949 1.00 0.00 C ATOM 302 O PRO A 23 1.005 34.149 -16.008 1.00 0.00 O ATOM 303 CB PRO A 23 4.106 34.786 -17.277 1.00 0.00 C ATOM 304 CG PRO A 23 4.769 34.092 -16.065 1.00 0.00 C ATOM 305 CD PRO A 23 4.233 34.794 -14.803 1.00 0.00 C ATOM 0 HA PRO A 23 2.655 36.431 -17.249 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.844 34.059 -18.046 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.788 35.503 -17.735 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.528 33.029 -16.048 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.855 34.171 -16.120 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.869 34.073 -14.071 1.00 0.00 H new ATOM 0 HD3 PRO A 23 5.010 35.381 -14.313 1.00 0.00 H new ATOM 313 N GLY A 24 1.214 34.424 -18.178 1.00 0.00 N ATOM 314 CA GLY A 24 0.003 33.598 -18.451 1.00 0.00 C ATOM 315 C GLY A 24 0.293 32.130 -18.129 1.00 0.00 C ATOM 316 O GLY A 24 0.257 31.277 -18.993 1.00 0.00 O ATOM 0 H GLY A 24 1.680 34.797 -19.005 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.834 33.953 -17.850 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.290 33.700 -19.496 1.00 0.00 H new ATOM 320 N ALA A 25 0.577 31.829 -16.893 1.00 0.00 N ATOM 321 CA ALA A 25 0.863 30.415 -16.518 1.00 0.00 C ATOM 322 C ALA A 25 -0.369 29.813 -15.839 1.00 0.00 C ATOM 323 O ALA A 25 -1.458 30.344 -15.930 1.00 0.00 O ATOM 324 CB ALA A 25 2.056 30.374 -15.559 1.00 0.00 C ATOM 0 H ALA A 25 0.624 32.500 -16.126 1.00 0.00 H new ATOM 0 HA ALA A 25 1.101 29.838 -17.412 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.266 29.340 -15.284 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.930 30.805 -16.047 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.822 30.948 -14.662 1.00 0.00 H new ATOM 330 N GLN A 26 -0.214 28.706 -15.165 1.00 0.00 N ATOM 331 CA GLN A 26 -1.383 28.078 -14.490 1.00 0.00 C ATOM 332 C GLN A 26 -1.014 27.701 -13.056 1.00 0.00 C ATOM 333 O GLN A 26 -1.691 28.064 -12.114 1.00 0.00 O ATOM 334 CB GLN A 26 -1.791 26.814 -15.251 1.00 0.00 C ATOM 335 CG GLN A 26 -2.007 27.153 -16.727 1.00 0.00 C ATOM 336 CD GLN A 26 -3.489 27.438 -16.974 1.00 0.00 C ATOM 337 OE1 GLN A 26 -3.962 28.526 -16.712 1.00 0.00 O ATOM 338 NE2 GLN A 26 -4.248 26.500 -17.472 1.00 0.00 N ATOM 0 H GLN A 26 0.671 28.211 -15.053 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.211 28.787 -14.477 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.018 26.052 -15.152 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.705 26.399 -14.825 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.408 28.021 -17.003 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.676 26.325 -17.353 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.852 25.586 -17.692 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.238 26.681 -17.641 1.00 0.00 H new ATOM 347 N CYS A 27 0.049 26.966 -12.880 1.00 0.00 N ATOM 348 CA CYS A 27 0.448 26.557 -11.505 1.00 0.00 C ATOM 349 C CYS A 27 1.976 26.488 -11.409 1.00 0.00 C ATOM 350 O CYS A 27 2.638 25.913 -12.252 1.00 0.00 O ATOM 351 CB CYS A 27 -0.166 25.181 -11.203 1.00 0.00 C ATOM 352 SG CYS A 27 0.662 24.415 -9.786 1.00 0.00 S ATOM 0 H CYS A 27 0.657 26.632 -13.627 1.00 0.00 H new ATOM 0 HA CYS A 27 0.088 27.285 -10.778 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.231 25.289 -10.995 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.076 24.536 -12.077 1.00 0.00 H new ATOM 357 N GLY A 28 2.539 27.067 -10.382 1.00 0.00 N ATOM 358 CA GLY A 28 4.020 27.034 -10.221 1.00 0.00 C ATOM 359 C GLY A 28 4.402 25.903 -9.264 1.00 0.00 C ATOM 360 O GLY A 28 5.464 25.323 -9.364 1.00 0.00 O ATOM 0 H GLY A 28 2.035 27.562 -9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.499 26.884 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.376 27.989 -9.834 1.00 0.00 H new ATOM 364 N GLU A 29 3.541 25.582 -8.337 1.00 0.00 N ATOM 365 CA GLU A 29 3.851 24.487 -7.376 1.00 0.00 C ATOM 366 C GLU A 29 2.640 23.562 -7.253 1.00 0.00 C ATOM 367 O GLU A 29 1.510 24.006 -7.204 1.00 0.00 O ATOM 368 CB GLU A 29 4.179 25.086 -6.006 1.00 0.00 C ATOM 369 CG GLU A 29 4.955 24.065 -5.174 1.00 0.00 C ATOM 370 CD GLU A 29 4.239 23.838 -3.840 1.00 0.00 C ATOM 371 OE1 GLU A 29 4.003 24.812 -3.144 1.00 0.00 O ATOM 372 OE2 GLU A 29 3.940 22.695 -3.537 1.00 0.00 O ATOM 0 H GLU A 29 2.635 26.032 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 29 4.708 23.918 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.768 25.995 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.260 25.367 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.037 23.124 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.970 24.421 -4.997 1.00 0.00 H new ATOM 379 N GLY A 30 2.865 22.277 -7.206 1.00 0.00 N ATOM 380 CA GLY A 30 1.724 21.326 -7.088 1.00 0.00 C ATOM 381 C GLY A 30 2.174 19.932 -7.523 1.00 0.00 C ATOM 382 O GLY A 30 3.347 19.676 -7.710 1.00 0.00 O ATOM 0 H GLY A 30 3.788 21.845 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.364 21.299 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.892 21.661 -7.708 1.00 0.00 H new ATOM 386 N LEU A 31 1.249 19.027 -7.684 1.00 0.00 N ATOM 387 CA LEU A 31 1.617 17.647 -8.104 1.00 0.00 C ATOM 388 C LEU A 31 1.253 17.446 -9.577 1.00 0.00 C ATOM 389 O LEU A 31 1.517 16.411 -10.155 1.00 0.00 O ATOM 390 CB LEU A 31 0.851 16.637 -7.248 1.00 0.00 C ATOM 391 CG LEU A 31 1.652 16.326 -5.983 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.869 15.475 -6.345 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.117 17.634 -5.341 1.00 0.00 C ATOM 0 H LEU A 31 0.251 19.185 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 31 2.689 17.500 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.127 17.038 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.677 15.722 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 31 1.023 15.779 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.440 15.254 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.538 14.543 -6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.499 16.021 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.688 17.414 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.745 18.181 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.249 18.241 -5.082 1.00 0.00 H new ATOM 405 N CYS A 32 0.645 18.426 -10.191 1.00 0.00 N ATOM 406 CA CYS A 32 0.266 18.282 -11.624 1.00 0.00 C ATOM 407 C CYS A 32 0.544 19.592 -12.364 1.00 0.00 C ATOM 408 O CYS A 32 -0.210 20.003 -13.224 1.00 0.00 O ATOM 409 CB CYS A 32 -1.224 17.947 -11.728 1.00 0.00 C ATOM 410 SG CYS A 32 -1.694 16.837 -10.378 1.00 0.00 S ATOM 0 H CYS A 32 0.396 19.317 -9.762 1.00 0.00 H new ATOM 0 HA CYS A 32 0.853 17.480 -12.072 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.816 18.861 -11.683 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.435 17.477 -12.689 1.00 0.00 H new ATOM 415 N CYS A 33 1.622 20.251 -12.038 1.00 0.00 N ATOM 416 CA CYS A 33 1.945 21.532 -12.728 1.00 0.00 C ATOM 417 C CYS A 33 3.204 21.349 -13.579 1.00 0.00 C ATOM 418 O CYS A 33 4.307 21.303 -13.070 1.00 0.00 O ATOM 419 CB CYS A 33 2.192 22.627 -11.689 1.00 0.00 C ATOM 420 SG CYS A 33 0.960 22.503 -10.367 1.00 0.00 S ATOM 0 H CYS A 33 2.291 19.959 -11.326 1.00 0.00 H new ATOM 0 HA CYS A 33 1.109 21.819 -13.366 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.195 22.529 -11.275 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.136 23.608 -12.160 1.00 0.00 H new ATOM 425 N GLU A 34 3.051 21.244 -14.871 1.00 0.00 N ATOM 426 CA GLU A 34 4.240 21.066 -15.749 1.00 0.00 C ATOM 427 C GLU A 34 4.428 22.314 -16.611 1.00 0.00 C ATOM 428 O GLU A 34 3.524 22.747 -17.296 1.00 0.00 O ATOM 429 CB GLU A 34 4.030 19.850 -16.654 1.00 0.00 C ATOM 430 CG GLU A 34 5.131 18.824 -16.387 1.00 0.00 C ATOM 431 CD GLU A 34 4.966 17.639 -17.341 1.00 0.00 C ATOM 432 OE1 GLU A 34 3.833 17.294 -17.633 1.00 0.00 O ATOM 433 OE2 GLU A 34 5.975 17.097 -17.760 1.00 0.00 O ATOM 0 H GLU A 34 2.154 21.274 -15.355 1.00 0.00 H new ATOM 0 HA GLU A 34 5.126 20.912 -15.133 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.052 19.407 -16.466 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.047 20.154 -17.701 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.111 19.282 -16.525 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.081 18.482 -15.353 1.00 0.00 H new ATOM 440 N GLN A 35 5.594 22.899 -16.579 1.00 0.00 N ATOM 441 CA GLN A 35 5.832 24.120 -17.397 1.00 0.00 C ATOM 442 C GLN A 35 4.858 25.214 -16.960 1.00 0.00 C ATOM 443 O GLN A 35 4.360 25.975 -17.768 1.00 0.00 O ATOM 444 CB GLN A 35 5.612 23.797 -18.877 1.00 0.00 C ATOM 445 CG GLN A 35 6.877 24.135 -19.667 1.00 0.00 C ATOM 446 CD GLN A 35 7.470 22.854 -20.256 1.00 0.00 C ATOM 447 OE1 GLN A 35 7.075 21.765 -19.891 1.00 0.00 O ATOM 448 NE2 GLN A 35 8.410 22.939 -21.158 1.00 0.00 N ATOM 0 H GLN A 35 6.390 22.585 -16.023 1.00 0.00 H new ATOM 0 HA GLN A 35 6.857 24.463 -17.254 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.367 22.742 -18.997 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.767 24.367 -19.263 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.643 24.840 -20.465 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.605 24.620 -19.017 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.742 23.854 -21.464 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.813 22.091 -21.556 1.00 0.00 H new ATOM 457 N CYS A 36 4.577 25.299 -15.689 1.00 0.00 N ATOM 458 CA CYS A 36 3.630 26.342 -15.206 1.00 0.00 C ATOM 459 C CYS A 36 2.237 26.054 -15.767 1.00 0.00 C ATOM 460 O CYS A 36 1.372 26.905 -15.781 1.00 0.00 O ATOM 461 CB CYS A 36 4.103 27.715 -15.681 1.00 0.00 C ATOM 462 SG CYS A 36 5.904 27.807 -15.536 1.00 0.00 S ATOM 0 H CYS A 36 4.962 24.692 -14.965 1.00 0.00 H new ATOM 0 HA CYS A 36 3.593 26.331 -14.117 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.801 27.879 -16.715 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.638 28.500 -15.084 1.00 0.00 H new ATOM 467 N LYS A 37 2.019 24.853 -16.227 1.00 0.00 N ATOM 468 CA LYS A 37 0.687 24.497 -16.788 1.00 0.00 C ATOM 469 C LYS A 37 0.150 23.261 -16.061 1.00 0.00 C ATOM 470 O LYS A 37 0.886 22.541 -15.418 1.00 0.00 O ATOM 471 CB LYS A 37 0.826 24.191 -18.280 1.00 0.00 C ATOM 472 CG LYS A 37 0.293 25.371 -19.094 1.00 0.00 C ATOM 473 CD LYS A 37 1.457 26.077 -19.794 1.00 0.00 C ATOM 474 CE LYS A 37 1.060 27.519 -20.115 1.00 0.00 C ATOM 475 NZ LYS A 37 0.628 27.610 -21.539 1.00 0.00 N ATOM 0 H LYS A 37 2.708 24.101 -16.238 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.002 25.331 -16.654 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.871 24.006 -18.529 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.274 23.285 -18.529 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.430 25.021 -19.831 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.230 26.070 -18.441 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.340 26.065 -19.155 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.719 25.548 -20.710 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.252 27.840 -19.457 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.902 28.188 -19.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.358 28.590 -21.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.411 27.320 -22.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.187 26.983 -21.695 1.00 0.00 H new ATOM 489 N PHE A 38 -1.125 23.008 -16.160 1.00 0.00 N ATOM 490 CA PHE A 38 -1.698 21.816 -15.474 1.00 0.00 C ATOM 491 C PHE A 38 -1.261 20.549 -16.212 1.00 0.00 C ATOM 492 O PHE A 38 -1.207 20.518 -17.424 1.00 0.00 O ATOM 493 CB PHE A 38 -3.225 21.908 -15.478 1.00 0.00 C ATOM 494 CG PHE A 38 -3.658 23.120 -14.690 1.00 0.00 C ATOM 495 CD1 PHE A 38 -3.085 23.383 -13.440 1.00 0.00 C ATOM 496 CD2 PHE A 38 -4.632 23.982 -15.207 1.00 0.00 C ATOM 497 CE1 PHE A 38 -3.484 24.506 -12.708 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.031 25.106 -14.476 1.00 0.00 C ATOM 499 CZ PHE A 38 -4.458 25.369 -13.227 1.00 0.00 C ATOM 0 H PHE A 38 -1.793 23.573 -16.684 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.341 21.781 -14.445 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.593 21.976 -16.502 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.656 21.006 -15.044 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.334 22.718 -13.040 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.076 23.779 -16.171 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.042 24.708 -11.744 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.782 25.771 -14.876 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.766 26.237 -12.663 1.00 0.00 H new ATOM 509 N SER A 39 -0.943 19.509 -15.490 1.00 0.00 N ATOM 510 CA SER A 39 -0.505 18.245 -16.148 1.00 0.00 C ATOM 511 C SER A 39 -1.559 17.799 -17.177 1.00 0.00 C ATOM 512 O SER A 39 -1.720 18.414 -18.212 1.00 0.00 O ATOM 513 CB SER A 39 -0.310 17.163 -15.083 1.00 0.00 C ATOM 514 OG SER A 39 -1.579 16.728 -14.612 1.00 0.00 O ATOM 0 H SER A 39 -0.968 19.480 -14.471 1.00 0.00 H new ATOM 0 HA SER A 39 0.439 18.410 -16.668 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.243 16.322 -15.501 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.282 17.554 -14.256 1.00 0.00 H new ATOM 0 HG SER A 39 -2.212 17.475 -14.641 1.00 0.00 H new ATOM 520 N ARG A 40 -2.275 16.737 -16.915 1.00 0.00 N ATOM 521 CA ARG A 40 -3.301 16.277 -17.893 1.00 0.00 C ATOM 522 C ARG A 40 -4.541 15.786 -17.147 1.00 0.00 C ATOM 523 O ARG A 40 -4.544 15.665 -15.937 1.00 0.00 O ATOM 524 CB ARG A 40 -2.726 15.137 -18.734 1.00 0.00 C ATOM 525 CG ARG A 40 -1.928 15.720 -19.902 1.00 0.00 C ATOM 526 CD ARG A 40 -2.873 16.016 -21.067 1.00 0.00 C ATOM 527 NE ARG A 40 -2.096 16.591 -22.202 1.00 0.00 N ATOM 528 CZ ARG A 40 -2.541 17.644 -22.831 1.00 0.00 C ATOM 529 NH1 ARG A 40 -2.594 18.796 -22.218 1.00 0.00 N ATOM 530 NH2 ARG A 40 -2.933 17.548 -24.071 1.00 0.00 N ATOM 0 H ARG A 40 -2.193 16.172 -16.070 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.578 17.107 -18.543 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.084 14.505 -18.120 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.531 14.505 -19.109 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.421 16.633 -19.590 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.156 15.017 -20.215 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.376 15.102 -21.383 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.648 16.714 -20.752 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.216 16.161 -22.487 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.288 18.872 -21.248 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.942 19.620 -22.709 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.892 16.649 -24.551 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.281 18.372 -24.561 1.00 0.00 H new ATOM 544 N ALA A 41 -5.597 15.498 -17.859 1.00 0.00 N ATOM 545 CA ALA A 41 -6.836 15.011 -17.190 1.00 0.00 C ATOM 546 C ALA A 41 -6.656 13.544 -16.796 1.00 0.00 C ATOM 547 O ALA A 41 -7.414 12.684 -17.200 1.00 0.00 O ATOM 548 CB ALA A 41 -8.021 15.143 -18.148 1.00 0.00 C ATOM 0 H ALA A 41 -5.655 15.579 -18.874 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.026 15.607 -16.297 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.927 14.786 -17.658 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.148 16.189 -18.428 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.834 14.548 -19.042 1.00 0.00 H new ATOM 554 N GLY A 42 -5.656 13.252 -16.011 1.00 0.00 N ATOM 555 CA GLY A 42 -5.423 11.842 -15.589 1.00 0.00 C ATOM 556 C GLY A 42 -3.935 11.637 -15.296 1.00 0.00 C ATOM 557 O GLY A 42 -3.340 10.663 -15.709 1.00 0.00 O ATOM 0 H GLY A 42 -4.989 13.930 -15.643 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.014 11.614 -14.702 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.748 11.158 -16.373 1.00 0.00 H new ATOM 561 N LYS A 43 -3.332 12.549 -14.582 1.00 0.00 N ATOM 562 CA LYS A 43 -1.884 12.407 -14.259 1.00 0.00 C ATOM 563 C LYS A 43 -1.738 11.743 -12.886 1.00 0.00 C ATOM 564 O LYS A 43 -2.259 12.217 -11.899 1.00 0.00 O ATOM 565 CB LYS A 43 -1.230 13.793 -14.239 1.00 0.00 C ATOM 566 CG LYS A 43 0.119 13.723 -13.517 1.00 0.00 C ATOM 567 CD LYS A 43 1.039 12.745 -14.248 1.00 0.00 C ATOM 568 CE LYS A 43 2.393 12.690 -13.535 1.00 0.00 C ATOM 569 NZ LYS A 43 3.176 11.529 -14.044 1.00 0.00 N ATOM 0 H LYS A 43 -3.780 13.386 -14.209 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.395 11.791 -15.013 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.088 14.153 -15.258 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.884 14.506 -13.737 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.576 14.712 -13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.025 13.402 -12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.588 11.753 -14.272 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.173 13.059 -15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.943 13.616 -13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.246 12.599 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.096 11.491 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.652 10.650 -13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.328 11.634 -15.067 1.00 0.00 H new ATOM 583 N ILE A 44 -1.031 10.648 -12.819 1.00 0.00 N ATOM 584 CA ILE A 44 -0.856 9.952 -11.513 1.00 0.00 C ATOM 585 C ILE A 44 -0.178 10.892 -10.514 1.00 0.00 C ATOM 586 O ILE A 44 0.945 11.314 -10.705 1.00 0.00 O ATOM 587 CB ILE A 44 0.013 8.713 -11.716 1.00 0.00 C ATOM 588 CG1 ILE A 44 -0.777 7.656 -12.494 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.426 8.145 -10.356 1.00 0.00 C ATOM 590 CD1 ILE A 44 -1.832 7.026 -11.582 1.00 0.00 C ATOM 0 H ILE A 44 -0.567 10.205 -13.612 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.831 9.658 -11.125 1.00 0.00 H new ATOM 0 HB ILE A 44 0.906 8.986 -12.279 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.257 8.111 -13.361 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.102 6.887 -12.870 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.046 7.261 -10.504 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.991 8.896 -9.804 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.465 7.873 -9.790 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.392 6.275 -12.139 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.342 6.556 -10.730 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.514 7.798 -11.227 1.00 0.00 H new ATOM 602 N CYS A 45 -0.857 11.223 -9.450 1.00 0.00 N ATOM 603 CA CYS A 45 -0.260 12.136 -8.435 1.00 0.00 C ATOM 604 C CYS A 45 0.029 11.357 -7.151 1.00 0.00 C ATOM 605 O CYS A 45 0.881 11.728 -6.367 1.00 0.00 O ATOM 606 CB CYS A 45 -1.243 13.264 -8.127 1.00 0.00 C ATOM 607 SG CYS A 45 -2.896 12.573 -7.872 1.00 0.00 S ATOM 0 H CYS A 45 -1.801 10.900 -9.240 1.00 0.00 H new ATOM 0 HA CYS A 45 0.668 12.553 -8.826 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.923 13.806 -7.237 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.260 13.980 -8.948 1.00 0.00 H new ATOM 612 N ARG A 46 -0.676 10.283 -6.926 1.00 0.00 N ATOM 613 CA ARG A 46 -0.442 9.488 -5.689 1.00 0.00 C ATOM 614 C ARG A 46 -0.652 8.004 -5.987 1.00 0.00 C ATOM 615 O ARG A 46 -1.750 7.562 -6.261 1.00 0.00 O ATOM 616 CB ARG A 46 -1.422 9.936 -4.603 1.00 0.00 C ATOM 617 CG ARG A 46 -0.647 10.312 -3.339 1.00 0.00 C ATOM 618 CD ARG A 46 -0.712 11.825 -3.130 1.00 0.00 C ATOM 619 NE ARG A 46 0.656 12.349 -2.858 1.00 0.00 N ATOM 620 CZ ARG A 46 0.835 13.265 -1.945 1.00 0.00 C ATOM 621 NH1 ARG A 46 0.588 12.993 -0.693 1.00 0.00 N ATOM 622 NH2 ARG A 46 1.262 14.451 -2.284 1.00 0.00 N ATOM 0 H ARG A 46 -1.403 9.922 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 46 0.580 9.646 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.004 10.789 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.129 9.136 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.068 9.797 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.391 9.991 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.128 12.307 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.375 12.060 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 46 1.453 11.992 -3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.256 12.066 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.727 13.708 0.021 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.456 14.663 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.402 15.166 -1.570 1.00 0.00 H new ATOM 636 N ILE A 47 0.396 7.232 -5.932 1.00 0.00 N ATOM 637 CA ILE A 47 0.266 5.776 -6.208 1.00 0.00 C ATOM 638 C ILE A 47 0.747 4.991 -4.978 1.00 0.00 C ATOM 639 O ILE A 47 1.932 4.900 -4.728 1.00 0.00 O ATOM 640 CB ILE A 47 1.119 5.420 -7.432 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.828 3.977 -7.864 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.605 5.572 -7.095 1.00 0.00 C ATOM 643 CD1 ILE A 47 1.369 2.997 -6.821 1.00 0.00 C ATOM 0 H ILE A 47 1.339 7.548 -5.707 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.774 5.520 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 47 0.870 6.096 -8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.246 3.835 -7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.287 3.779 -8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.204 5.317 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.808 6.602 -6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.862 4.905 -6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.157 1.976 -7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.446 3.130 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.889 3.186 -5.861 1.00 0.00 H new ATOM 755 N ASP A 54 -4.679 4.286 -7.683 1.00 0.00 N ATOM 756 CA ASP A 54 -3.671 5.354 -7.928 1.00 0.00 C ATOM 757 C ASP A 54 -4.381 6.686 -8.177 1.00 0.00 C ATOM 758 O ASP A 54 -5.208 6.805 -9.059 1.00 0.00 O ATOM 759 CB ASP A 54 -2.829 4.988 -9.151 1.00 0.00 C ATOM 760 CG ASP A 54 -2.326 3.550 -9.011 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.722 2.895 -8.060 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.552 3.128 -9.854 1.00 0.00 O ATOM 0 HA ASP A 54 -3.025 5.448 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.423 5.090 -10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.986 5.672 -9.243 1.00 0.00 H new ATOM 767 N ASP A 55 -4.062 7.690 -7.408 1.00 0.00 N ATOM 768 CA ASP A 55 -4.715 9.015 -7.601 1.00 0.00 C ATOM 769 C ASP A 55 -4.224 9.639 -8.908 1.00 0.00 C ATOM 770 O ASP A 55 -3.070 9.518 -9.269 1.00 0.00 O ATOM 771 CB ASP A 55 -4.356 9.937 -6.433 1.00 0.00 C ATOM 772 CG ASP A 55 -5.211 9.578 -5.217 1.00 0.00 C ATOM 773 OD1 ASP A 55 -6.193 8.876 -5.393 1.00 0.00 O ATOM 774 OD2 ASP A 55 -4.871 10.014 -4.129 1.00 0.00 O ATOM 0 H ASP A 55 -3.377 7.650 -6.654 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.796 8.883 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.298 9.837 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.522 10.977 -6.713 1.00 0.00 H new ATOM 779 N ARG A 56 -5.089 10.306 -9.621 1.00 0.00 N ATOM 780 CA ARG A 56 -4.667 10.936 -10.904 1.00 0.00 C ATOM 781 C ARG A 56 -5.129 12.396 -10.929 1.00 0.00 C ATOM 782 O ARG A 56 -6.107 12.759 -10.308 1.00 0.00 O ATOM 783 CB ARG A 56 -5.299 10.182 -12.075 1.00 0.00 C ATOM 784 CG ARG A 56 -4.214 9.416 -12.833 1.00 0.00 C ATOM 785 CD ARG A 56 -4.831 8.194 -13.516 1.00 0.00 C ATOM 786 NE ARG A 56 -5.211 8.545 -14.914 1.00 0.00 N ATOM 787 CZ ARG A 56 -5.967 7.737 -15.605 1.00 0.00 C ATOM 788 NH1 ARG A 56 -7.156 7.424 -15.169 1.00 0.00 N ATOM 789 NH2 ARG A 56 -5.535 7.245 -16.733 1.00 0.00 N ATOM 0 H ARG A 56 -6.069 10.442 -9.371 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.581 10.895 -10.990 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.059 9.491 -11.709 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.800 10.882 -12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.749 10.064 -13.576 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.428 9.103 -12.146 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.120 7.368 -13.518 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.708 7.859 -12.963 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.880 9.416 -15.330 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.494 7.811 -14.288 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.747 6.792 -15.709 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.606 7.492 -17.075 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.126 6.613 -17.273 1.00 0.00 H new ATOM 803 N CYS A 57 -4.432 13.237 -11.644 1.00 0.00 N ATOM 804 CA CYS A 57 -4.833 14.671 -11.709 1.00 0.00 C ATOM 805 C CYS A 57 -6.038 14.818 -12.641 1.00 0.00 C ATOM 806 O CYS A 57 -6.111 14.193 -13.680 1.00 0.00 O ATOM 807 CB CYS A 57 -3.665 15.502 -12.244 1.00 0.00 C ATOM 808 SG CYS A 57 -2.167 15.106 -11.307 1.00 0.00 S ATOM 0 H CYS A 57 -3.603 12.993 -12.186 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.100 15.023 -10.712 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.511 15.294 -13.303 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.891 16.565 -12.158 1.00 0.00 H new ATOM 813 N THR A 58 -6.987 15.635 -12.274 1.00 0.00 N ATOM 814 CA THR A 58 -8.190 15.817 -13.133 1.00 0.00 C ATOM 815 C THR A 58 -7.828 16.644 -14.369 1.00 0.00 C ATOM 816 O THR A 58 -8.654 16.889 -15.225 1.00 0.00 O ATOM 817 CB THR A 58 -9.275 16.542 -12.337 1.00 0.00 C ATOM 818 OG1 THR A 58 -8.988 17.933 -12.305 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.315 15.993 -10.910 1.00 0.00 C ATOM 0 H THR A 58 -6.981 16.185 -11.415 1.00 0.00 H new ATOM 0 HA THR A 58 -8.556 14.841 -13.450 1.00 0.00 H new ATOM 0 HB THR A 58 -10.243 16.383 -12.812 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.303 18.110 -11.627 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.089 16.510 -10.343 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.537 14.926 -10.937 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.348 16.151 -10.432 1.00 0.00 H new ATOM 827 N GLY A 59 -6.602 17.077 -14.471 1.00 0.00 N ATOM 828 CA GLY A 59 -6.198 17.888 -15.653 1.00 0.00 C ATOM 829 C GLY A 59 -6.418 19.372 -15.350 1.00 0.00 C ATOM 830 O GLY A 59 -5.772 20.233 -15.914 1.00 0.00 O ATOM 0 H GLY A 59 -5.864 16.905 -13.788 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.150 17.706 -15.892 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.780 17.594 -16.526 1.00 0.00 H new ATOM 834 N GLN A 60 -7.325 19.677 -14.463 1.00 0.00 N ATOM 835 CA GLN A 60 -7.583 21.105 -14.125 1.00 0.00 C ATOM 836 C GLN A 60 -7.081 21.392 -12.709 1.00 0.00 C ATOM 837 O GLN A 60 -6.944 22.531 -12.309 1.00 0.00 O ATOM 838 CB GLN A 60 -9.086 21.388 -14.198 1.00 0.00 C ATOM 839 CG GLN A 60 -9.658 20.796 -15.489 1.00 0.00 C ATOM 840 CD GLN A 60 -11.084 20.307 -15.235 1.00 0.00 C ATOM 841 OE1 GLN A 60 -11.962 21.091 -14.932 1.00 0.00 O ATOM 842 NE2 GLN A 60 -11.354 19.037 -15.345 1.00 0.00 N ATOM 0 H GLN A 60 -7.898 19.000 -13.959 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.059 21.744 -14.836 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.590 20.956 -13.333 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.266 22.463 -14.168 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.655 21.547 -16.279 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.034 19.970 -15.831 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.617 18.379 -15.599 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.302 18.701 -15.177 1.00 0.00 H new ATOM 851 N SER A 61 -6.809 20.370 -11.945 1.00 0.00 N ATOM 852 CA SER A 61 -6.317 20.588 -10.555 1.00 0.00 C ATOM 853 C SER A 61 -4.790 20.493 -10.530 1.00 0.00 C ATOM 854 O SER A 61 -4.221 19.449 -10.779 1.00 0.00 O ATOM 855 CB SER A 61 -6.909 19.524 -9.631 1.00 0.00 C ATOM 856 OG SER A 61 -6.651 18.235 -10.173 1.00 0.00 O ATOM 0 H SER A 61 -6.906 19.393 -12.223 1.00 0.00 H new ATOM 0 HA SER A 61 -6.624 21.577 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.473 19.607 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.983 19.677 -9.522 1.00 0.00 H new ATOM 0 HG SER A 61 -5.756 18.221 -10.572 1.00 0.00 H new ATOM 862 N ALA A 62 -4.122 21.574 -10.228 1.00 0.00 N ATOM 863 CA ALA A 62 -2.635 21.541 -10.184 1.00 0.00 C ATOM 864 C ALA A 62 -2.184 20.606 -9.062 1.00 0.00 C ATOM 865 O ALA A 62 -1.269 19.824 -9.221 1.00 0.00 O ATOM 866 CB ALA A 62 -2.100 22.950 -9.923 1.00 0.00 C ATOM 0 H ALA A 62 -4.543 22.477 -10.010 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.249 21.180 -11.137 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.011 22.925 -9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.424 23.616 -10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.483 23.314 -8.970 1.00 0.00 H new ATOM 872 N ASP A 63 -2.822 20.680 -7.925 1.00 0.00 N ATOM 873 CA ASP A 63 -2.431 19.792 -6.796 1.00 0.00 C ATOM 874 C ASP A 63 -3.249 18.503 -6.859 1.00 0.00 C ATOM 875 O ASP A 63 -4.193 18.390 -7.617 1.00 0.00 O ATOM 876 CB ASP A 63 -2.699 20.499 -5.468 1.00 0.00 C ATOM 877 CG ASP A 63 -2.354 21.983 -5.598 1.00 0.00 C ATOM 878 OD1 ASP A 63 -3.176 22.719 -6.120 1.00 0.00 O ATOM 879 OD2 ASP A 63 -1.273 22.359 -5.175 1.00 0.00 O ATOM 0 H ASP A 63 -3.595 21.316 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.369 19.557 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.746 20.382 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.103 20.045 -4.676 1.00 0.00 H new ATOM 884 N CYS A 64 -2.894 17.528 -6.071 1.00 0.00 N ATOM 885 CA CYS A 64 -3.649 16.246 -6.088 1.00 0.00 C ATOM 886 C CYS A 64 -4.465 16.119 -4.805 1.00 0.00 C ATOM 887 O CYS A 64 -3.927 15.864 -3.746 1.00 0.00 O ATOM 888 CB CYS A 64 -2.667 15.081 -6.203 1.00 0.00 C ATOM 889 SG CYS A 64 -3.579 13.518 -6.224 1.00 0.00 S ATOM 0 H CYS A 64 -2.113 17.564 -5.416 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.326 16.228 -6.942 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.074 15.180 -7.112 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.970 15.096 -5.365 1.00 0.00 H new ATOM 894 N PRO A 65 -5.751 16.303 -4.949 1.00 0.00 N ATOM 895 CA PRO A 65 -6.693 16.221 -3.829 1.00 0.00 C ATOM 896 C PRO A 65 -6.974 14.758 -3.470 1.00 0.00 C ATOM 897 O PRO A 65 -6.360 14.198 -2.585 1.00 0.00 O ATOM 898 CB PRO A 65 -7.948 16.899 -4.374 1.00 0.00 C ATOM 899 CG PRO A 65 -7.862 16.836 -5.913 1.00 0.00 C ATOM 900 CD PRO A 65 -6.385 16.613 -6.251 1.00 0.00 C ATOM 0 HA PRO A 65 -6.320 16.688 -2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.845 16.394 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.007 17.933 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.477 16.026 -6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.229 17.759 -6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.259 15.794 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.944 17.499 -6.707 1.00 0.00 H new