USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 270 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 17 HIS : no HE2:sc= -4.05 K(o=-10,f=-11!) USER MOD Set 1.2: A 31 ASN : amide:sc= -6 K(o=-10,f=-23!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0656 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.741 K(o=-0.74,f=-1.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -129:sc= -0.0153 (180deg=-0.128) USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.0196 (180deg=-0.199) USER MOD Single : A 12 ASN : amide:sc= -1.67 K(o=-1.7,f=-8.3!) USER MOD Single : A 18 LYS NZ :NH3+ -114:sc= -1.16 (180deg=-1.49) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0881 USER MOD Single : A 25 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.073) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0452) USER MOD Single : A 36 ASN : amide:sc= 0.0733 K(o=0.073,f=-4.1!) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -1.33 (180deg=-1.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.679 -2.151 8.102 1.00 0.00 N ATOM 2 CA GLY A 1 -15.601 -1.132 7.944 1.00 0.00 C ATOM 3 C GLY A 1 -15.464 -0.650 6.516 1.00 0.00 C ATOM 4 O GLY A 1 -16.267 -1.000 5.654 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.329 -1.855 8.858 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.205 -2.241 7.209 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.256 -3.068 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.812 -0.282 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.653 -1.557 8.273 1.00 0.00 H new ATOM 10 N ASP A 2 -14.439 0.162 6.266 1.00 0.00 N ATOM 11 CA ASP A 2 -14.194 0.697 4.932 1.00 0.00 C ATOM 12 C ASP A 2 -15.336 1.580 4.493 1.00 0.00 C ATOM 13 O ASP A 2 -15.223 2.805 4.548 1.00 0.00 O ATOM 14 CB ASP A 2 -14.012 -0.439 3.924 1.00 0.00 C ATOM 15 CG ASP A 2 -12.555 -0.788 3.708 1.00 0.00 C ATOM 16 OD1 ASP A 2 -11.792 0.078 3.230 1.00 0.00 O ATOM 17 OD2 ASP A 2 -12.168 -1.939 4.016 1.00 0.00 O ATOM 0 H ASP A 2 -13.766 0.463 6.971 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.281 1.291 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.547 -1.322 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.460 -0.152 2.972 1.00 0.00 H new ATOM 22 N ASN A 3 -16.436 1.005 4.050 1.00 0.00 N ATOM 23 CA ASN A 3 -17.606 1.722 3.598 1.00 0.00 C ATOM 24 C ASN A 3 -17.360 2.339 2.219 1.00 0.00 C ATOM 25 O ASN A 3 -18.122 2.109 1.281 1.00 0.00 O ATOM 26 CB ASN A 3 -17.993 2.801 4.627 1.00 0.00 C ATOM 27 CG ASN A 3 -18.073 4.206 4.042 1.00 0.00 C ATOM 28 OD1 ASN A 3 -18.914 4.481 3.189 1.00 0.00 O ATOM 29 ND2 ASN A 3 -17.196 5.088 4.503 1.00 0.00 N ATOM 0 H ASN A 3 -16.541 -0.008 3.994 1.00 0.00 H new ATOM 0 HA ASN A 3 -18.436 1.021 3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -18.958 2.544 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -17.264 2.796 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -17.200 6.044 4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -16.517 4.810 5.212 1.00 0.00 H new ATOM 36 N LYS A 4 -16.292 3.114 2.104 1.00 0.00 N ATOM 37 CA LYS A 4 -15.946 3.763 0.852 1.00 0.00 C ATOM 38 C LYS A 4 -14.743 3.081 0.226 1.00 0.00 C ATOM 39 O LYS A 4 -13.600 3.493 0.424 1.00 0.00 O ATOM 40 CB LYS A 4 -15.645 5.246 1.068 1.00 0.00 C ATOM 41 CG LYS A 4 -15.689 6.076 -0.168 1.00 0.00 C ATOM 42 CD LYS A 4 -17.112 6.235 -0.680 1.00 0.00 C ATOM 43 CE LYS A 4 -17.785 7.454 -0.073 1.00 0.00 C ATOM 44 NZ LYS A 4 -17.350 8.717 -0.727 1.00 0.00 N ATOM 0 H LYS A 4 -15.647 3.309 2.870 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.800 3.679 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.361 5.648 1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.657 5.341 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.262 7.058 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.073 5.615 -0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.102 6.326 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.689 5.342 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.867 7.353 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.557 7.501 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.834 9.523 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.322 8.828 -0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.590 8.685 -1.738 1.00 0.00 H new ATOM 58 N PRO A 5 -14.985 2.029 -0.568 1.00 0.00 N ATOM 59 CA PRO A 5 -13.913 1.289 -1.246 1.00 0.00 C ATOM 60 C PRO A 5 -13.270 2.097 -2.373 1.00 0.00 C ATOM 61 O PRO A 5 -13.897 2.340 -3.407 1.00 0.00 O ATOM 62 CB PRO A 5 -14.629 0.094 -1.819 1.00 0.00 C ATOM 63 CG PRO A 5 -16.041 0.535 -1.985 1.00 0.00 C ATOM 64 CD PRO A 5 -16.316 1.471 -0.867 1.00 0.00 C ATOM 0 HA PRO A 5 -13.099 1.041 -0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.195 -0.207 -2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -14.560 -0.765 -1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.185 1.025 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.721 -0.317 -1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.024 2.248 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.741 0.957 -0.005 1.00 0.00 H new ATOM 72 N PRO A 6 -12.011 2.533 -2.192 1.00 0.00 N ATOM 73 CA PRO A 6 -11.294 3.320 -3.206 1.00 0.00 C ATOM 74 C PRO A 6 -10.949 2.493 -4.439 1.00 0.00 C ATOM 75 O PRO A 6 -11.062 1.269 -4.431 1.00 0.00 O ATOM 76 CB PRO A 6 -10.024 3.765 -2.480 1.00 0.00 C ATOM 77 CG PRO A 6 -9.815 2.733 -1.426 1.00 0.00 C ATOM 78 CD PRO A 6 -11.189 2.296 -0.995 1.00 0.00 C ATOM 0 HA PRO A 6 -11.894 4.149 -3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.174 3.814 -3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.142 4.758 -2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.241 1.891 -1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.254 3.142 -0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.203 1.247 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.545 2.873 -0.142 1.00 0.00 H new ATOM 86 N LYS A 7 -10.521 3.176 -5.498 1.00 0.00 N ATOM 87 CA LYS A 7 -10.156 2.507 -6.740 1.00 0.00 C ATOM 88 C LYS A 7 -8.725 1.981 -6.672 1.00 0.00 C ATOM 89 O LYS A 7 -7.880 2.531 -5.967 1.00 0.00 O ATOM 90 CB LYS A 7 -10.303 3.462 -7.923 1.00 0.00 C ATOM 91 CG LYS A 7 -10.720 2.779 -9.213 1.00 0.00 C ATOM 92 CD LYS A 7 -12.221 2.860 -9.428 1.00 0.00 C ATOM 93 CE LYS A 7 -12.972 1.946 -8.471 1.00 0.00 C ATOM 94 NZ LYS A 7 -13.480 2.689 -7.279 1.00 0.00 N ATOM 0 H LYS A 7 -10.419 4.191 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.831 1.662 -6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.040 4.225 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.355 3.975 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.206 3.244 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.411 1.734 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.555 3.888 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.458 2.585 -10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.808 1.481 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.313 1.141 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.192 2.192 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.084 3.651 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.518 2.742 -7.319 1.00 0.00 H new ATOM 108 N LYS A 8 -8.459 0.910 -7.415 1.00 0.00 N ATOM 109 CA LYS A 8 -7.127 0.328 -7.442 1.00 0.00 C ATOM 110 C LYS A 8 -6.306 0.867 -8.593 1.00 0.00 C ATOM 111 O LYS A 8 -6.815 1.596 -9.440 1.00 0.00 O ATOM 112 CB LYS A 8 -7.227 -1.178 -7.563 1.00 0.00 C ATOM 113 CG LYS A 8 -8.426 -1.776 -6.840 1.00 0.00 C ATOM 114 CD LYS A 8 -8.329 -1.580 -5.337 1.00 0.00 C ATOM 115 CE LYS A 8 -9.251 -2.529 -4.589 1.00 0.00 C ATOM 116 NZ LYS A 8 -8.768 -3.940 -4.653 1.00 0.00 N ATOM 0 H LYS A 8 -9.144 0.433 -8.001 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.629 0.598 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.281 -1.445 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.316 -1.626 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.342 -1.314 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.493 -2.840 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.300 -1.741 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.584 -0.550 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.325 -2.217 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.254 -2.469 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.238 -4.502 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.989 -4.341 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.739 -3.962 -4.502 1.00 0.00 H new ATOM 130 N GLY A 9 -5.018 0.519 -8.616 1.00 0.00 N ATOM 131 CA GLY A 9 -4.141 0.994 -9.666 1.00 0.00 C ATOM 132 C GLY A 9 -3.232 -0.075 -10.202 1.00 0.00 C ATOM 133 O GLY A 9 -2.877 -0.992 -9.472 1.00 0.00 O ATOM 0 H GLY A 9 -4.571 -0.083 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.744 1.393 -10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.538 1.817 -9.283 1.00 0.00 H new ATOM 137 N PRO A 10 -2.834 0.004 -11.482 1.00 0.00 N ATOM 138 CA PRO A 10 -1.954 -0.976 -12.100 1.00 0.00 C ATOM 139 C PRO A 10 -0.559 -0.913 -11.551 1.00 0.00 C ATOM 140 O PRO A 10 -0.177 0.034 -10.914 1.00 0.00 O ATOM 141 CB PRO A 10 -1.975 -0.598 -13.584 1.00 0.00 C ATOM 142 CG PRO A 10 -2.295 0.823 -13.597 1.00 0.00 C ATOM 143 CD PRO A 10 -3.207 1.058 -12.425 1.00 0.00 C ATOM 0 HA PRO A 10 -2.284 -1.997 -11.911 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.012 -0.792 -14.056 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.720 -1.177 -14.130 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.391 1.426 -13.514 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.781 1.104 -14.531 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.061 2.049 -11.996 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.256 0.986 -12.712 1.00 0.00 H new ATOM 151 N PRO A 11 0.236 -1.965 -11.793 1.00 0.00 N ATOM 152 CA PRO A 11 1.625 -2.024 -11.324 1.00 0.00 C ATOM 153 C PRO A 11 2.528 -1.043 -12.059 1.00 0.00 C ATOM 154 O PRO A 11 3.093 -1.365 -13.103 1.00 0.00 O ATOM 155 CB PRO A 11 2.042 -3.465 -11.627 1.00 0.00 C ATOM 156 CG PRO A 11 1.168 -3.885 -12.756 1.00 0.00 C ATOM 157 CD PRO A 11 -0.139 -3.172 -12.548 1.00 0.00 C ATOM 0 HA PRO A 11 1.710 -1.754 -10.272 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.096 -3.523 -11.900 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.902 -4.108 -10.758 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.612 -3.617 -13.715 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.028 -4.966 -12.761 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.612 -2.919 -13.497 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.847 -3.788 -11.993 1.00 0.00 H new ATOM 165 N ASN A 12 2.660 0.127 -11.502 1.00 0.00 N ATOM 166 CA ASN A 12 3.501 1.159 -12.106 1.00 0.00 C ATOM 167 C ASN A 12 3.420 2.458 -11.315 1.00 0.00 C ATOM 168 O ASN A 12 4.399 3.195 -11.207 1.00 0.00 O ATOM 169 CB ASN A 12 3.086 1.407 -13.558 1.00 0.00 C ATOM 170 CG ASN A 12 1.586 1.574 -13.711 1.00 0.00 C ATOM 171 OD1 ASN A 12 0.961 2.350 -12.986 1.00 0.00 O ATOM 172 ND2 ASN A 12 1.002 0.849 -14.655 1.00 0.00 N ATOM 0 H ASN A 12 2.204 0.404 -10.633 1.00 0.00 H new ATOM 0 HA ASN A 12 4.532 0.805 -12.087 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.588 2.301 -13.929 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.421 0.574 -14.176 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.004 0.921 -14.804 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.559 0.219 -15.232 1.00 0.00 H new ATOM 179 N GLY A 13 2.248 2.727 -10.765 1.00 0.00 N ATOM 180 CA GLY A 13 2.049 3.934 -9.986 1.00 0.00 C ATOM 181 C GLY A 13 1.275 3.682 -8.708 1.00 0.00 C ATOM 182 O GLY A 13 0.900 2.548 -8.416 1.00 0.00 O ATOM 0 H GLY A 13 1.425 2.129 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.019 4.367 -9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.516 4.668 -10.590 1.00 0.00 H new ATOM 186 N CYS A 14 1.027 4.744 -7.948 1.00 0.00 N ATOM 187 CA CYS A 14 0.290 4.632 -6.693 1.00 0.00 C ATOM 188 C CYS A 14 1.008 3.710 -5.719 1.00 0.00 C ATOM 189 O CYS A 14 1.815 2.875 -6.121 1.00 0.00 O ATOM 190 CB CYS A 14 -1.096 4.110 -6.962 1.00 0.00 C ATOM 191 SG CYS A 14 -2.105 3.884 -5.466 1.00 0.00 S ATOM 0 H CYS A 14 1.325 5.692 -8.179 1.00 0.00 H new ATOM 0 HA CYS A 14 0.227 5.623 -6.243 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.609 4.799 -7.633 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.019 3.156 -7.483 1.00 0.00 H new ATOM 196 N PHE A 15 0.715 3.876 -4.434 1.00 0.00 N ATOM 197 CA PHE A 15 1.328 3.066 -3.391 1.00 0.00 C ATOM 198 C PHE A 15 1.195 1.575 -3.701 1.00 0.00 C ATOM 199 O PHE A 15 0.378 1.173 -4.528 1.00 0.00 O ATOM 200 CB PHE A 15 0.687 3.377 -2.035 1.00 0.00 C ATOM 201 CG PHE A 15 -0.760 3.607 -2.102 1.00 0.00 C ATOM 202 CD1 PHE A 15 -1.644 2.542 -2.162 1.00 0.00 C ATOM 203 CD2 PHE A 15 -1.271 4.896 -2.101 1.00 0.00 C ATOM 204 CE1 PHE A 15 -3.007 2.754 -2.221 1.00 0.00 C ATOM 205 CE2 PHE A 15 -2.633 5.116 -2.160 1.00 0.00 C ATOM 206 CZ PHE A 15 -3.503 4.044 -2.221 1.00 0.00 C ATOM 0 H PHE A 15 0.052 4.570 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 15 2.389 3.313 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.883 2.549 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.166 4.259 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.262 1.532 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.596 5.738 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.684 1.914 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.018 6.125 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.568 4.214 -2.269 1.00 0.00 H new ATOM 216 N GLY A 16 2.015 0.765 -3.041 1.00 0.00 N ATOM 217 CA GLY A 16 1.978 -0.635 -3.263 1.00 0.00 C ATOM 218 C GLY A 16 0.804 -1.304 -2.568 1.00 0.00 C ATOM 219 O GLY A 16 -0.131 -0.636 -2.139 1.00 0.00 O ATOM 0 H GLY A 16 2.703 1.074 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.920 -0.828 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.908 -1.080 -2.909 1.00 0.00 H new ATOM 223 N HIS A 17 0.859 -2.627 -2.465 1.00 0.00 N ATOM 224 CA HIS A 17 -0.197 -3.390 -1.823 1.00 0.00 C ATOM 225 C HIS A 17 -0.402 -2.935 -0.381 1.00 0.00 C ATOM 226 O HIS A 17 0.363 -2.131 0.131 1.00 0.00 O ATOM 227 CB HIS A 17 0.135 -4.882 -1.857 1.00 0.00 C ATOM 228 CG HIS A 17 0.649 -5.357 -3.180 1.00 0.00 C ATOM 229 ND1 HIS A 17 -0.171 -5.773 -4.203 1.00 0.00 N ATOM 230 CD2 HIS A 17 1.913 -5.478 -3.646 1.00 0.00 C ATOM 231 CE1 HIS A 17 0.562 -6.130 -5.242 1.00 0.00 C ATOM 232 NE2 HIS A 17 1.834 -5.962 -4.929 1.00 0.00 N ATOM 0 H HIS A 17 1.629 -3.193 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.122 -3.216 -2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.880 -5.096 -1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.759 -5.450 -1.600 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -1.190 -5.801 -4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.818 -5.238 -3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.186 -6.496 -6.186 1.00 0.00 H new ATOM 241 N LYS A 18 -1.418 -3.455 0.230 1.00 0.00 N ATOM 242 CA LYS A 18 -1.726 -3.103 1.598 1.00 0.00 C ATOM 243 C LYS A 18 -1.058 -4.067 2.575 1.00 0.00 C ATOM 244 O LYS A 18 -1.703 -4.598 3.481 1.00 0.00 O ATOM 245 CB LYS A 18 -3.245 -3.102 1.819 1.00 0.00 C ATOM 246 CG LYS A 18 -3.883 -4.471 1.644 1.00 0.00 C ATOM 247 CD LYS A 18 -4.467 -4.640 0.273 1.00 0.00 C ATOM 248 CE LYS A 18 -4.255 -6.051 -0.240 1.00 0.00 C ATOM 249 NZ LYS A 18 -4.894 -6.248 -1.572 1.00 0.00 N ATOM 0 H LYS A 18 -2.057 -4.129 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.338 -2.102 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.458 -2.736 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.706 -2.403 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.136 -5.245 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.665 -4.606 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.533 -4.415 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.007 -3.928 -0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.187 -6.256 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.669 -6.765 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.673 -6.932 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.267 -5.340 -1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.189 -6.610 -2.245 1.00 0.00 H new ATOM 263 N ILE A 19 0.206 -4.287 2.382 1.00 0.00 N ATOM 264 CA ILE A 19 0.959 -5.186 3.243 1.00 0.00 C ATOM 265 C ILE A 19 1.139 -4.587 4.635 1.00 0.00 C ATOM 266 O ILE A 19 0.979 -5.280 5.642 1.00 0.00 O ATOM 267 CB ILE A 19 2.348 -5.500 2.649 1.00 0.00 C ATOM 268 CG1 ILE A 19 2.219 -5.904 1.179 1.00 0.00 C ATOM 269 CG2 ILE A 19 3.026 -6.606 3.450 1.00 0.00 C ATOM 270 CD1 ILE A 19 3.535 -6.283 0.534 1.00 0.00 C ATOM 0 H ILE A 19 0.753 -3.860 1.634 1.00 0.00 H new ATOM 0 HA ILE A 19 0.386 -6.110 3.317 1.00 0.00 H new ATOM 0 HB ILE A 19 2.964 -4.603 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.531 -6.746 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.776 -5.078 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.005 -6.818 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.145 -6.285 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.413 -7.507 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.364 -6.557 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.219 -5.436 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.970 -7.129 1.066 1.00 0.00 H new ATOM 282 N ASP A 20 1.475 -3.303 4.682 1.00 0.00 N ATOM 283 CA ASP A 20 1.677 -2.614 5.953 1.00 0.00 C ATOM 284 C ASP A 20 0.343 -2.246 6.591 1.00 0.00 C ATOM 285 O ASP A 20 -0.530 -1.763 5.915 1.00 0.00 O ATOM 286 CB ASP A 20 2.520 -1.356 5.743 1.00 0.00 C ATOM 287 CG ASP A 20 3.462 -1.090 6.902 1.00 0.00 C ATOM 288 OD1 ASP A 20 4.399 -1.892 7.102 1.00 0.00 O ATOM 289 OD2 ASP A 20 3.260 -0.111 7.610 1.00 0.00 O ATOM 0 H ASP A 20 1.613 -2.719 3.858 1.00 0.00 H new ATOM 0 HA ASP A 20 2.205 -3.290 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.098 -1.459 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.861 -0.498 5.610 1.00 0.00 H new ATOM 294 N ARG A 21 0.235 -2.476 7.895 1.00 0.00 N ATOM 295 CA ARG A 21 -0.954 -2.174 8.622 1.00 0.00 C ATOM 296 C ARG A 21 -0.960 -0.718 9.091 1.00 0.00 C ATOM 297 O ARG A 21 0.074 -0.113 9.281 1.00 0.00 O ATOM 298 CB ARG A 21 -1.106 -3.111 9.821 1.00 0.00 C ATOM 299 CG ARG A 21 -2.064 -4.265 9.574 1.00 0.00 C ATOM 300 CD ARG A 21 -1.542 -5.201 8.498 1.00 0.00 C ATOM 301 NE ARG A 21 -1.914 -6.591 8.751 1.00 0.00 N ATOM 302 CZ ARG A 21 -1.315 -7.635 8.183 1.00 0.00 C ATOM 303 NH1 ARG A 21 -0.342 -7.447 7.332 1.00 0.00 N ATOM 304 NH2 ARG A 21 -1.713 -8.865 8.474 1.00 0.00 N ATOM 0 H ARG A 21 0.981 -2.878 8.462 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.799 -2.321 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.127 -3.512 10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.456 -2.536 10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.213 -4.820 10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.037 -3.874 9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.933 -4.892 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.456 -5.121 8.444 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.678 -6.772 9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.041 -6.500 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.117 -8.247 6.897 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.478 -9.011 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.255 -9.666 8.039 1.00 0.00 H new ATOM 318 N ILE A 22 -2.155 -0.168 9.276 1.00 0.00 N ATOM 319 CA ILE A 22 -2.304 1.185 9.725 1.00 0.00 C ATOM 320 C ILE A 22 -1.542 2.137 8.809 1.00 0.00 C ATOM 321 O ILE A 22 -0.820 1.707 7.909 1.00 0.00 O ATOM 322 CB ILE A 22 -1.808 1.377 11.176 1.00 0.00 C ATOM 323 CG1 ILE A 22 -1.952 0.110 11.980 1.00 0.00 C ATOM 324 CG2 ILE A 22 -2.573 2.505 11.849 1.00 0.00 C ATOM 325 CD1 ILE A 22 -1.469 0.223 13.410 1.00 0.00 C ATOM 0 H ILE A 22 -3.036 -0.657 9.116 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.370 1.410 9.696 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.749 1.633 11.133 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.001 -0.186 11.985 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.398 -0.687 11.483 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.214 2.630 12.871 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.419 3.431 11.295 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.636 2.265 11.865 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.608 -0.732 13.918 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.411 0.487 13.417 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.039 0.995 13.927 1.00 0.00 H new ATOM 337 N GLY A 23 -1.705 3.435 9.040 1.00 0.00 N ATOM 338 CA GLY A 23 -1.026 4.428 8.228 1.00 0.00 C ATOM 339 C GLY A 23 -1.814 5.714 8.106 1.00 0.00 C ATOM 340 O GLY A 23 -2.646 5.859 7.209 1.00 0.00 O ATOM 0 H GLY A 23 -2.297 3.818 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.050 4.643 8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.848 4.019 7.233 1.00 0.00 H new ATOM 344 N SER A 24 -1.549 6.656 9.007 1.00 0.00 N ATOM 345 CA SER A 24 -2.240 7.940 9.001 1.00 0.00 C ATOM 346 C SER A 24 -1.989 8.683 7.689 1.00 0.00 C ATOM 347 O SER A 24 -2.905 8.865 6.887 1.00 0.00 O ATOM 348 CB SER A 24 -1.778 8.796 10.182 1.00 0.00 C ATOM 349 OG SER A 24 -1.345 7.988 11.258 1.00 0.00 O ATOM 0 H SER A 24 -0.859 6.553 9.751 1.00 0.00 H new ATOM 0 HA SER A 24 -3.310 7.752 9.095 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.966 9.450 9.865 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.595 9.438 10.511 1.00 0.00 H new ATOM 0 HG SER A 24 -1.053 8.559 11.999 1.00 0.00 H new ATOM 355 N HIS A 25 -0.747 9.104 7.485 1.00 0.00 N ATOM 356 CA HIS A 25 -0.374 9.825 6.273 1.00 0.00 C ATOM 357 C HIS A 25 -0.346 8.888 5.069 1.00 0.00 C ATOM 358 O HIS A 25 -1.044 9.115 4.080 1.00 0.00 O ATOM 359 CB HIS A 25 0.956 10.493 6.452 1.00 0.00 C ATOM 360 CG HIS A 25 1.059 11.830 5.784 1.00 0.00 C ATOM 361 ND1 HIS A 25 2.243 12.343 5.298 1.00 0.00 N ATOM 362 CD2 HIS A 25 0.146 12.765 5.527 1.00 0.00 C ATOM 363 CE1 HIS A 25 2.027 13.532 4.770 1.00 0.00 C ATOM 364 NE2 HIS A 25 0.761 13.812 4.893 1.00 0.00 N ATOM 0 H HIS A 25 0.019 8.959 8.142 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.126 10.592 6.086 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.150 10.614 7.518 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.735 9.840 6.059 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.903 12.707 5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.773 14.166 4.313 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.305 14.666 4.572 1.00 0.00 H new ATOM 373 N SER A 26 0.436 7.840 5.163 1.00 0.00 N ATOM 374 CA SER A 26 0.547 6.870 4.081 1.00 0.00 C ATOM 375 C SER A 26 -0.762 6.205 3.789 1.00 0.00 C ATOM 376 O SER A 26 -1.732 6.402 4.523 1.00 0.00 O ATOM 377 CB SER A 26 1.587 5.806 4.438 1.00 0.00 C ATOM 378 OG SER A 26 1.315 5.228 5.704 1.00 0.00 O ATOM 0 H SER A 26 1.011 7.629 5.979 1.00 0.00 H new ATOM 0 HA SER A 26 0.857 7.412 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.593 5.029 3.674 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.581 6.253 4.445 1.00 0.00 H new ATOM 0 HG SER A 26 1.993 4.550 5.907 1.00 0.00 H new ATOM 384 N GLY A 27 -0.813 5.424 2.718 1.00 0.00 N ATOM 385 CA GLY A 27 -2.044 4.744 2.350 1.00 0.00 C ATOM 386 C GLY A 27 -1.819 3.659 1.318 1.00 0.00 C ATOM 387 O GLY A 27 -2.253 3.782 0.188 1.00 0.00 O ATOM 0 H GLY A 27 -0.024 5.248 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.494 4.306 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.755 5.472 1.959 1.00 0.00 H new ATOM 391 N LEU A 28 -1.138 2.596 1.722 1.00 0.00 N ATOM 392 CA LEU A 28 -0.850 1.483 0.821 1.00 0.00 C ATOM 393 C LEU A 28 -2.116 0.697 0.509 1.00 0.00 C ATOM 394 O LEU A 28 -3.152 0.887 1.147 1.00 0.00 O ATOM 395 CB LEU A 28 0.170 0.557 1.440 1.00 0.00 C ATOM 396 CG LEU A 28 1.296 1.260 2.198 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.348 0.256 2.641 1.00 0.00 C ATOM 398 CD2 LEU A 28 1.922 2.347 1.332 1.00 0.00 C ATOM 0 H LEU A 28 -0.774 2.478 2.667 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.452 1.897 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.342 -0.120 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.608 -0.056 0.653 1.00 0.00 H new ATOM 0 HG LEU A 28 0.875 1.729 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.142 0.774 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.890 -0.486 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.767 -0.241 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.722 2.838 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.330 1.900 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.162 3.081 1.064 1.00 0.00 H new ATOM 410 N GLY A 29 -2.028 -0.154 -0.447 1.00 0.00 N ATOM 411 CA GLY A 29 -3.173 -0.955 -0.830 1.00 0.00 C ATOM 412 C GLY A 29 -3.752 -0.539 -2.166 1.00 0.00 C ATOM 413 O GLY A 29 -4.937 -0.230 -2.266 1.00 0.00 O ATOM 0 H GLY A 29 -1.182 -0.327 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.880 -2.004 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.943 -0.873 -0.063 1.00 0.00 H new ATOM 417 N CYS A 30 -2.916 -0.528 -3.197 1.00 0.00 N ATOM 418 CA CYS A 30 -3.348 -0.143 -4.534 1.00 0.00 C ATOM 419 C CYS A 30 -3.392 -1.358 -5.461 1.00 0.00 C ATOM 420 O CYS A 30 -4.469 -1.822 -5.839 1.00 0.00 O ATOM 421 CB CYS A 30 -2.416 0.888 -5.110 1.00 0.00 C ATOM 422 SG CYS A 30 -3.274 2.283 -5.907 1.00 0.00 S ATOM 0 H CYS A 30 -1.930 -0.783 -3.132 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.350 0.279 -4.453 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.777 1.272 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.764 0.409 -5.840 1.00 0.00 H new ATOM 427 N ASN A 31 -2.221 -1.863 -5.819 1.00 0.00 N ATOM 428 CA ASN A 31 -2.121 -3.018 -6.696 1.00 0.00 C ATOM 429 C ASN A 31 -2.679 -4.268 -6.022 1.00 0.00 C ATOM 430 O ASN A 31 -2.665 -4.378 -4.799 1.00 0.00 O ATOM 431 CB ASN A 31 -0.686 -3.245 -7.096 1.00 0.00 C ATOM 432 CG ASN A 31 0.251 -3.176 -5.911 1.00 0.00 C ATOM 433 OD1 ASN A 31 -0.172 -3.249 -4.757 1.00 0.00 O ATOM 434 ND2 ASN A 31 1.543 -3.031 -6.192 1.00 0.00 N ATOM 0 H ASN A 31 -1.323 -1.488 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.714 -2.817 -7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.593 -4.220 -7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.393 -2.498 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.226 -2.976 -5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.851 -2.975 -7.163 1.00 0.00 H new ATOM 441 N LYS A 32 -3.166 -5.199 -6.832 1.00 0.00 N ATOM 442 CA LYS A 32 -3.731 -6.443 -6.313 1.00 0.00 C ATOM 443 C LYS A 32 -3.169 -7.645 -7.056 1.00 0.00 C ATOM 444 O LYS A 32 -2.632 -7.516 -8.158 1.00 0.00 O ATOM 445 CB LYS A 32 -5.254 -6.422 -6.430 1.00 0.00 C ATOM 446 CG LYS A 32 -5.934 -7.569 -5.702 1.00 0.00 C ATOM 447 CD LYS A 32 -5.580 -7.576 -4.223 1.00 0.00 C ATOM 448 CE LYS A 32 -6.340 -8.661 -3.472 1.00 0.00 C ATOM 449 NZ LYS A 32 -7.784 -8.322 -3.321 1.00 0.00 N ATOM 0 H LYS A 32 -3.182 -5.119 -7.849 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.456 -6.528 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.628 -5.478 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.530 -6.457 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.015 -7.486 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.636 -8.516 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.508 -7.733 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.809 -6.603 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.243 -9.607 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.895 -8.801 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.243 -9.023 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.876 -7.376 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.242 -8.330 -4.255 1.00 0.00 H new ATOM 463 N VAL A 33 -3.297 -8.823 -6.455 1.00 0.00 N ATOM 464 CA VAL A 33 -2.804 -10.053 -7.056 1.00 0.00 C ATOM 465 C VAL A 33 -3.939 -11.039 -7.298 1.00 0.00 C ATOM 466 O VAL A 33 -4.787 -11.255 -6.430 1.00 0.00 O ATOM 467 CB VAL A 33 -1.734 -10.725 -6.174 1.00 0.00 C ATOM 468 CG1 VAL A 33 -0.445 -9.977 -6.272 1.00 0.00 C ATOM 469 CG2 VAL A 33 -2.205 -10.802 -4.730 1.00 0.00 C ATOM 0 H VAL A 33 -3.742 -8.950 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.354 -9.778 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.572 -11.742 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.305 -10.460 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.104 -9.973 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.593 -8.951 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.437 -11.279 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.392 -9.796 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.124 -11.386 -4.678 1.00 0.00 H new ATOM 479 N ASP A 34 -3.954 -11.641 -8.485 1.00 0.00 N ATOM 480 CA ASP A 34 -4.986 -12.608 -8.841 1.00 0.00 C ATOM 481 C ASP A 34 -4.397 -13.753 -9.656 1.00 0.00 C ATOM 482 O ASP A 34 -4.803 -13.994 -10.796 1.00 0.00 O ATOM 483 CB ASP A 34 -6.104 -11.922 -9.632 1.00 0.00 C ATOM 484 CG ASP A 34 -7.427 -12.649 -9.507 1.00 0.00 C ATOM 485 OD1 ASP A 34 -7.959 -12.726 -8.379 1.00 0.00 O ATOM 486 OD2 ASP A 34 -7.932 -13.142 -10.539 1.00 0.00 O ATOM 0 H ASP A 34 -3.262 -11.475 -9.216 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.401 -13.018 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.220 -10.898 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.821 -11.866 -10.683 1.00 0.00 H new ATOM 491 N ASP A 35 -3.438 -14.463 -9.067 1.00 0.00 N ATOM 492 CA ASP A 35 -2.795 -15.585 -9.743 1.00 0.00 C ATOM 493 C ASP A 35 -2.302 -16.612 -8.730 1.00 0.00 C ATOM 494 O ASP A 35 -2.523 -17.813 -8.892 1.00 0.00 O ATOM 495 CB ASP A 35 -1.649 -15.088 -10.594 1.00 0.00 C ATOM 496 CG ASP A 35 -1.080 -16.186 -11.471 1.00 0.00 C ATOM 497 OD1 ASP A 35 -1.302 -17.373 -11.157 1.00 0.00 O ATOM 498 OD2 ASP A 35 -0.403 -15.852 -12.464 1.00 0.00 O ATOM 0 H ASP A 35 -3.090 -14.281 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.528 -16.070 -10.388 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.992 -14.264 -11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.863 -14.693 -9.950 1.00 0.00 H new ATOM 503 N ASN A 36 -1.652 -16.136 -7.686 1.00 0.00 N ATOM 504 CA ASN A 36 -1.131 -17.004 -6.644 1.00 0.00 C ATOM 505 C ASN A 36 -2.174 -17.963 -6.124 1.00 0.00 C ATOM 506 O ASN A 36 -3.337 -17.880 -6.524 1.00 0.00 O ATOM 507 CB ASN A 36 -0.567 -16.177 -5.491 1.00 0.00 C ATOM 508 CG ASN A 36 -1.520 -15.104 -5.026 1.00 0.00 C ATOM 509 OD1 ASN A 36 -1.873 -14.216 -5.793 1.00 0.00 O ATOM 510 ND2 ASN A 36 -1.908 -15.180 -3.768 1.00 0.00 N ATOM 0 H ASN A 36 -1.470 -15.144 -7.535 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.333 -17.595 -7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.333 -16.837 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.369 -15.715 -5.804 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.537 -14.474 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.579 -15.945 -3.178 1.00 0.00 H new ATOM 517 N LYS A 37 -1.796 -18.857 -5.230 1.00 0.00 N ATOM 518 CA LYS A 37 -2.705 -19.826 -4.654 1.00 0.00 C ATOM 519 C LYS A 37 -3.835 -19.120 -3.909 1.00 0.00 C ATOM 520 O LYS A 37 -4.959 -19.618 -3.853 1.00 0.00 O ATOM 521 CB LYS A 37 -1.987 -20.768 -3.702 1.00 0.00 C ATOM 522 CG LYS A 37 -1.394 -20.067 -2.496 1.00 0.00 C ATOM 523 CD LYS A 37 -0.553 -21.022 -1.665 1.00 0.00 C ATOM 524 CE LYS A 37 0.894 -21.024 -2.120 1.00 0.00 C ATOM 525 NZ LYS A 37 1.033 -21.450 -3.539 1.00 0.00 N ATOM 0 H LYS A 37 -0.840 -18.931 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.117 -20.412 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.686 -21.532 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.192 -21.282 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.780 -19.229 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.194 -19.654 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.605 -20.736 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.961 -22.030 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.313 -20.025 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.473 -21.692 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.035 -21.634 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.481 -22.317 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.680 -20.697 -4.164 1.00 0.00 H new ATOM 539 N GLY A 38 -3.524 -17.957 -3.343 1.00 0.00 N ATOM 540 CA GLY A 38 -4.525 -17.204 -2.610 1.00 0.00 C ATOM 541 C GLY A 38 -4.759 -17.753 -1.215 1.00 0.00 C ATOM 542 O GLY A 38 -5.931 -17.992 -0.865 1.00 0.00 O ATOM 543 OXT GLY A 38 -3.769 -17.939 -0.479 1.00 0.00 O ATOM 0 H GLY A 38 -2.601 -17.525 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.212 -16.162 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.463 -17.218 -3.164 1.00 0.00 H new TER 547 GLY A 38