USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 883 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 23 GLN :FLIP amide:sc= -3.37! C(o=-4.7!,f=-3.1!) USER MOD Set 1.2: A 32 THR OG1 : rot 134:sc= 0.296 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0758) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.0904 F(o=-1.8!,f=-0.09) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 79:sc= 0.97 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -1.06 F(o=-1.6,f=-1.1) USER MOD Single : A 34 CYS SG : rot -71:sc= 1.19 USER MOD Single : A 35 SER OG : rot 93:sc= 1.08 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -15:sc= 0.228 USER MOD Single : A 43 THR OG1 : rot 131:sc= 1.27 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.36) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 58 THR OG1 : rot 73:sc= 0.55 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 86 SER OG : rot -156:sc= 1.23 USER MOD Single : A 87 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.6!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -0.0176 (180deg=-0.19) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.12) USER MOD Single : A 108 LYS NZ :NH3+ 163:sc= -0.0285 (180deg=-0.246) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.520 -27.746 13.724 1.00 0.00 N ATOM 2 CA MET A 1 14.103 -28.030 15.113 1.00 0.00 C ATOM 3 C MET A 1 14.922 -27.203 16.096 1.00 0.00 C ATOM 4 O MET A 1 16.007 -27.610 16.513 1.00 0.00 O ATOM 5 CB MET A 1 14.255 -29.523 15.425 1.00 0.00 C ATOM 6 CG MET A 1 13.822 -29.900 16.832 1.00 0.00 C ATOM 7 SD MET A 1 14.142 -31.633 17.210 1.00 0.00 S ATOM 8 CE MET A 1 13.597 -31.712 18.915 1.00 0.00 C ATOM 0 H1 MET A 1 13.952 -28.318 13.067 1.00 0.00 H new ATOM 0 H2 MET A 1 14.376 -26.737 13.518 1.00 0.00 H new ATOM 0 H3 MET A 1 15.526 -27.983 13.608 1.00 0.00 H new ATOM 0 HA MET A 1 13.053 -27.757 15.217 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.668 -30.097 14.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.297 -29.810 15.286 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.347 -29.271 17.551 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.757 -29.696 16.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.732 -32.725 19.294 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.184 -31.019 19.517 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.543 -31.440 18.973 1.00 0.00 H new ATOM 20 N THR A 2 14.409 -26.032 16.439 1.00 0.00 N ATOM 21 CA THR A 2 15.050 -25.159 17.410 1.00 0.00 C ATOM 22 C THR A 2 14.143 -23.964 17.681 1.00 0.00 C ATOM 23 O THR A 2 13.339 -23.582 16.827 1.00 0.00 O ATOM 24 CB THR A 2 16.444 -24.674 16.926 1.00 0.00 C ATOM 25 OG1 THR A 2 17.147 -24.026 17.996 1.00 0.00 O ATOM 26 CG2 THR A 2 16.322 -23.719 15.744 1.00 0.00 C ATOM 0 H THR A 2 13.540 -25.661 16.054 1.00 0.00 H new ATOM 0 HA THR A 2 15.208 -25.727 18.327 1.00 0.00 H new ATOM 0 HB THR A 2 17.003 -25.552 16.603 1.00 0.00 H new ATOM 0 HG1 THR A 2 18.024 -23.727 17.677 1.00 0.00 H new ATOM 0 HG21 THR A 2 17.316 -23.399 15.431 1.00 0.00 H new ATOM 0 HG22 THR A 2 15.826 -24.226 14.916 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.737 -22.848 16.039 1.00 0.00 H new ATOM 34 N LYS A 3 14.238 -23.400 18.873 1.00 0.00 N ATOM 35 CA LYS A 3 13.405 -22.263 19.231 1.00 0.00 C ATOM 36 C LYS A 3 14.074 -20.948 18.861 1.00 0.00 C ATOM 37 O LYS A 3 14.910 -20.428 19.601 1.00 0.00 O ATOM 38 CB LYS A 3 13.057 -22.274 20.724 1.00 0.00 C ATOM 39 CG LYS A 3 12.114 -23.396 21.123 1.00 0.00 C ATOM 40 CD LYS A 3 11.685 -23.258 22.572 1.00 0.00 C ATOM 41 CE LYS A 3 10.685 -24.328 22.972 1.00 0.00 C ATOM 42 NZ LYS A 3 11.260 -25.696 22.883 1.00 0.00 N ATOM 0 H LYS A 3 14.878 -23.707 19.605 1.00 0.00 H new ATOM 0 HA LYS A 3 12.480 -22.352 18.661 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.977 -22.362 21.302 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.604 -21.319 20.989 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.236 -23.384 20.478 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.605 -24.358 20.976 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.561 -23.321 23.217 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.244 -22.273 22.728 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.347 -24.144 23.992 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.808 -24.262 22.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.600 -26.378 23.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.418 -25.942 21.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.165 -25.726 23.395 1.00 0.00 H new ATOM 56 N ASN A 4 13.715 -20.427 17.700 1.00 0.00 N ATOM 57 CA ASN A 4 14.172 -19.115 17.284 1.00 0.00 C ATOM 58 C ASN A 4 12.985 -18.175 17.169 1.00 0.00 C ATOM 59 O ASN A 4 12.034 -18.449 16.435 1.00 0.00 O ATOM 60 CB ASN A 4 14.933 -19.179 15.956 1.00 0.00 C ATOM 61 CG ASN A 4 16.326 -19.761 16.105 1.00 0.00 C ATOM 62 OD1 ASN A 4 16.952 -19.524 17.248 1.00 0.00 O flip ATOM 63 ND2 ASN A 4 16.845 -20.402 15.190 1.00 0.00 N flip ATOM 0 H ASN A 4 13.107 -20.895 17.028 1.00 0.00 H new ATOM 0 HA ASN A 4 14.862 -18.738 18.039 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.366 -19.782 15.246 1.00 0.00 H new ATOM 0 HB3 ASN A 4 15.006 -18.176 15.536 1.00 0.00 H new ATOM 0 HD21 ASN A 4 16.330 -20.563 14.324 1.00 0.00 H new ATOM 0 HD22 ASN A 4 17.790 -20.771 15.298 1.00 0.00 H new ATOM 70 N THR A 5 13.043 -17.081 17.912 1.00 0.00 N ATOM 71 CA THR A 5 11.949 -16.123 17.965 1.00 0.00 C ATOM 72 C THR A 5 11.692 -15.506 16.593 1.00 0.00 C ATOM 73 O THR A 5 12.631 -15.155 15.877 1.00 0.00 O ATOM 74 CB THR A 5 12.258 -14.995 18.968 1.00 0.00 C ATOM 75 OG1 THR A 5 12.782 -15.548 20.178 1.00 0.00 O ATOM 76 CG2 THR A 5 11.011 -14.179 19.286 1.00 0.00 C ATOM 0 H THR A 5 13.844 -16.833 18.492 1.00 0.00 H new ATOM 0 HA THR A 5 11.060 -16.665 18.288 1.00 0.00 H new ATOM 0 HB THR A 5 12.996 -14.335 18.511 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.978 -14.825 20.810 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.263 -13.391 19.996 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.625 -13.732 18.370 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.251 -14.829 19.720 1.00 0.00 H new ATOM 84 N ARG A 6 10.422 -15.389 16.228 1.00 0.00 N ATOM 85 CA ARG A 6 10.049 -14.726 14.991 1.00 0.00 C ATOM 86 C ARG A 6 10.311 -13.231 15.117 1.00 0.00 C ATOM 87 O ARG A 6 9.716 -12.556 15.959 1.00 0.00 O ATOM 88 CB ARG A 6 8.581 -14.998 14.650 1.00 0.00 C ATOM 89 CG ARG A 6 8.297 -16.460 14.356 1.00 0.00 C ATOM 90 CD ARG A 6 6.827 -16.700 14.061 1.00 0.00 C ATOM 91 NE ARG A 6 6.545 -18.112 13.807 1.00 0.00 N ATOM 92 CZ ARG A 6 5.606 -18.812 14.442 1.00 0.00 C ATOM 93 NH1 ARG A 6 4.872 -18.241 15.387 1.00 0.00 N ATOM 94 NH2 ARG A 6 5.419 -20.090 14.140 1.00 0.00 N ATOM 0 H ARG A 6 9.636 -15.745 16.772 1.00 0.00 H new ATOM 0 HA ARG A 6 10.655 -15.123 14.177 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.955 -14.673 15.481 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.298 -14.398 13.785 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.896 -16.783 13.504 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.601 -17.068 15.208 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.227 -16.356 14.903 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.529 -16.109 13.195 1.00 0.00 H new ATOM 0 HE ARG A 6 7.102 -18.591 13.099 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.025 -17.262 15.630 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.154 -18.780 15.871 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.993 -20.534 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.701 -20.629 14.624 1.00 0.00 H new ATOM 108 N PHE A 7 11.217 -12.732 14.294 1.00 0.00 N ATOM 109 CA PHE A 7 11.690 -11.360 14.404 1.00 0.00 C ATOM 110 C PHE A 7 10.639 -10.367 13.940 1.00 0.00 C ATOM 111 O PHE A 7 10.218 -10.379 12.782 1.00 0.00 O ATOM 112 CB PHE A 7 12.982 -11.178 13.603 1.00 0.00 C ATOM 113 CG PHE A 7 14.093 -12.077 14.065 1.00 0.00 C ATOM 114 CD1 PHE A 7 14.837 -11.758 15.189 1.00 0.00 C ATOM 115 CD2 PHE A 7 14.387 -13.245 13.382 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.854 -12.585 15.622 1.00 0.00 C ATOM 117 CE2 PHE A 7 15.401 -14.078 13.812 1.00 0.00 C ATOM 118 CZ PHE A 7 16.136 -13.747 14.932 1.00 0.00 C ATOM 0 H PHE A 7 11.644 -13.262 13.534 1.00 0.00 H new ATOM 0 HA PHE A 7 11.892 -11.162 15.457 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.780 -11.372 12.550 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.307 -10.140 13.679 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.619 -10.851 15.733 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.817 -13.508 12.503 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.428 -12.323 16.499 1.00 0.00 H new ATOM 0 HE2 PHE A 7 15.619 -14.988 13.272 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.931 -14.396 15.268 1.00 0.00 H new ATOM 128 N SER A 8 10.215 -9.514 14.860 1.00 0.00 N ATOM 129 CA SER A 8 9.284 -8.446 14.550 1.00 0.00 C ATOM 130 C SER A 8 9.950 -7.412 13.643 1.00 0.00 C ATOM 131 O SER A 8 11.110 -7.048 13.856 1.00 0.00 O ATOM 132 CB SER A 8 8.798 -7.784 15.845 1.00 0.00 C ATOM 133 OG SER A 8 7.961 -6.670 15.579 1.00 0.00 O ATOM 0 H SER A 8 10.506 -9.544 15.837 1.00 0.00 H new ATOM 0 HA SER A 8 8.426 -8.866 14.026 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.254 -8.513 16.445 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.657 -7.462 16.434 1.00 0.00 H new ATOM 0 HG SER A 8 7.667 -6.272 16.425 1.00 0.00 H new ATOM 139 N PRO A 9 9.231 -6.937 12.610 1.00 0.00 N ATOM 140 CA PRO A 9 9.742 -5.920 11.685 1.00 0.00 C ATOM 141 C PRO A 9 10.182 -4.653 12.411 1.00 0.00 C ATOM 142 O PRO A 9 11.133 -3.990 11.997 1.00 0.00 O ATOM 143 CB PRO A 9 8.549 -5.631 10.766 1.00 0.00 C ATOM 144 CG PRO A 9 7.705 -6.854 10.848 1.00 0.00 C ATOM 145 CD PRO A 9 7.865 -7.366 12.251 1.00 0.00 C ATOM 0 HA PRO A 9 10.627 -6.264 11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.000 -4.748 11.095 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.874 -5.442 9.743 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.662 -6.625 10.632 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.025 -7.600 10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.119 -6.941 12.923 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.757 -8.450 12.300 1.00 0.00 H new ATOM 153 N GLU A 10 9.504 -4.337 13.510 1.00 0.00 N ATOM 154 CA GLU A 10 9.837 -3.163 14.304 1.00 0.00 C ATOM 155 C GLU A 10 11.227 -3.309 14.912 1.00 0.00 C ATOM 156 O GLU A 10 12.001 -2.361 14.937 1.00 0.00 O ATOM 157 CB GLU A 10 8.794 -2.951 15.406 1.00 0.00 C ATOM 158 CG GLU A 10 9.031 -1.708 16.252 1.00 0.00 C ATOM 159 CD GLU A 10 8.995 -0.425 15.445 1.00 0.00 C ATOM 160 OE1 GLU A 10 7.969 -0.161 14.787 1.00 0.00 O ATOM 161 OE2 GLU A 10 9.981 0.343 15.488 1.00 0.00 O ATOM 0 H GLU A 10 8.719 -4.880 13.870 1.00 0.00 H new ATOM 0 HA GLU A 10 9.834 -2.291 13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.806 -2.884 14.949 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.786 -3.825 16.057 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.275 -1.659 17.035 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.998 -1.792 16.748 1.00 0.00 H new ATOM 168 N VAL A 11 11.545 -4.509 15.382 1.00 0.00 N ATOM 169 CA VAL A 11 12.852 -4.776 15.976 1.00 0.00 C ATOM 170 C VAL A 11 13.951 -4.624 14.926 1.00 0.00 C ATOM 171 O VAL A 11 15.008 -4.043 15.182 1.00 0.00 O ATOM 172 CB VAL A 11 12.917 -6.195 16.587 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.270 -6.443 17.243 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.794 -6.398 17.593 1.00 0.00 C ATOM 0 H VAL A 11 10.917 -5.313 15.364 1.00 0.00 H new ATOM 0 HA VAL A 11 13.005 -4.050 16.775 1.00 0.00 H new ATOM 0 HB VAL A 11 12.792 -6.916 15.779 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.291 -7.448 17.665 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.059 -6.346 16.497 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.429 -5.713 18.036 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.857 -7.403 18.011 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.886 -5.665 18.394 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.832 -6.272 17.095 1.00 0.00 H new ATOM 184 N ARG A 12 13.675 -5.139 13.737 1.00 0.00 N ATOM 185 CA ARG A 12 14.596 -5.042 12.613 1.00 0.00 C ATOM 186 C ARG A 12 14.838 -3.573 12.263 1.00 0.00 C ATOM 187 O ARG A 12 15.977 -3.141 12.052 1.00 0.00 O ATOM 188 CB ARG A 12 14.002 -5.796 11.419 1.00 0.00 C ATOM 189 CG ARG A 12 14.956 -6.015 10.258 1.00 0.00 C ATOM 190 CD ARG A 12 14.256 -6.776 9.145 1.00 0.00 C ATOM 191 NE ARG A 12 15.134 -7.098 8.024 1.00 0.00 N ATOM 192 CZ ARG A 12 14.771 -6.977 6.745 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.611 -6.409 6.428 1.00 0.00 N ATOM 194 NH2 ARG A 12 15.571 -7.407 5.779 1.00 0.00 N ATOM 0 H ARG A 12 12.809 -5.635 13.524 1.00 0.00 H new ATOM 0 HA ARG A 12 15.555 -5.489 12.876 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.644 -6.766 11.763 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.133 -5.246 11.057 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.313 -5.055 9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.831 -6.571 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.842 -7.699 9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.417 -6.183 8.781 1.00 0.00 H new ATOM 0 HE ARG A 12 16.075 -7.433 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.994 -6.064 7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.338 -6.319 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.468 -7.833 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.289 -7.312 4.803 1.00 0.00 H new ATOM 208 N GLN A 13 13.751 -2.806 12.232 1.00 0.00 N ATOM 209 CA GLN A 13 13.818 -1.378 11.966 1.00 0.00 C ATOM 210 C GLN A 13 14.542 -0.645 13.089 1.00 0.00 C ATOM 211 O GLN A 13 15.342 0.246 12.828 1.00 0.00 O ATOM 212 CB GLN A 13 12.414 -0.804 11.775 1.00 0.00 C ATOM 213 CG GLN A 13 11.746 -1.258 10.488 1.00 0.00 C ATOM 214 CD GLN A 13 10.290 -0.846 10.409 1.00 0.00 C ATOM 215 OE1 GLN A 13 9.882 0.168 10.979 1.00 0.00 O ATOM 216 NE2 GLN A 13 9.497 -1.620 9.689 1.00 0.00 N ATOM 0 H GLN A 13 12.806 -3.157 12.390 1.00 0.00 H new ATOM 0 HA GLN A 13 14.384 -1.233 11.046 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.792 -1.096 12.621 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.471 0.285 11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.284 -0.841 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.817 -2.343 10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.873 -2.451 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.509 -1.386 9.590 1.00 0.00 H new ATOM 225 N ARG A 14 14.261 -1.030 14.336 1.00 0.00 N ATOM 226 CA ARG A 14 14.929 -0.442 15.499 1.00 0.00 C ATOM 227 C ARG A 14 16.439 -0.592 15.390 1.00 0.00 C ATOM 228 O ARG A 14 17.183 0.340 15.698 1.00 0.00 O ATOM 229 CB ARG A 14 14.447 -1.090 16.802 1.00 0.00 C ATOM 230 CG ARG A 14 13.064 -0.642 17.243 1.00 0.00 C ATOM 231 CD ARG A 14 12.650 -1.310 18.546 1.00 0.00 C ATOM 232 NE ARG A 14 11.401 -0.757 19.066 1.00 0.00 N ATOM 233 CZ ARG A 14 10.887 -1.050 20.258 1.00 0.00 C ATOM 234 NH1 ARG A 14 11.490 -1.926 21.050 1.00 0.00 N ATOM 235 NH2 ARG A 14 9.762 -0.470 20.657 1.00 0.00 N ATOM 0 H ARG A 14 13.574 -1.748 14.566 1.00 0.00 H new ATOM 0 HA ARG A 14 14.674 0.618 15.517 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.444 -2.173 16.677 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.161 -0.863 17.594 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.054 0.441 17.369 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.338 -0.879 16.465 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.534 -2.382 18.384 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.440 -1.183 19.286 1.00 0.00 H new ATOM 0 HE ARG A 14 10.889 -0.102 18.475 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.352 -2.379 20.747 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.092 -2.147 21.963 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.291 0.201 20.050 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.368 -0.695 21.571 1.00 0.00 H new ATOM 249 N ALA A 15 16.881 -1.764 14.948 1.00 0.00 N ATOM 250 CA ALA A 15 18.302 -2.032 14.767 1.00 0.00 C ATOM 251 C ALA A 15 18.927 -1.015 13.821 1.00 0.00 C ATOM 252 O ALA A 15 19.884 -0.327 14.175 1.00 0.00 O ATOM 253 CB ALA A 15 18.509 -3.446 14.242 1.00 0.00 C ATOM 0 H ALA A 15 16.272 -2.546 14.708 1.00 0.00 H new ATOM 0 HA ALA A 15 18.795 -1.943 15.735 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.575 -3.633 14.111 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.100 -4.162 14.954 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.001 -3.556 13.284 1.00 0.00 H new ATOM 259 N VAL A 16 18.360 -0.910 12.627 1.00 0.00 N ATOM 260 CA VAL A 16 18.854 0.038 11.631 1.00 0.00 C ATOM 261 C VAL A 16 18.691 1.478 12.124 1.00 0.00 C ATOM 262 O VAL A 16 19.570 2.318 11.931 1.00 0.00 O ATOM 263 CB VAL A 16 18.118 -0.131 10.281 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.705 0.790 9.221 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.170 -1.580 9.818 1.00 0.00 C ATOM 0 H VAL A 16 17.561 -1.466 12.323 1.00 0.00 H new ATOM 0 HA VAL A 16 19.913 -0.172 11.480 1.00 0.00 H new ATOM 0 HB VAL A 16 17.074 0.146 10.430 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.170 0.651 8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.607 1.826 9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.759 0.553 9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.647 -1.677 8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.209 -1.885 9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.692 -2.217 10.562 1.00 0.00 H new ATOM 275 N ARG A 17 17.567 1.745 12.775 1.00 0.00 N ATOM 276 CA ARG A 17 17.257 3.068 13.307 1.00 0.00 C ATOM 277 C ARG A 17 18.317 3.525 14.308 1.00 0.00 C ATOM 278 O ARG A 17 18.834 4.641 14.209 1.00 0.00 O ATOM 279 CB ARG A 17 15.878 3.045 13.971 1.00 0.00 C ATOM 280 CG ARG A 17 15.456 4.371 14.579 1.00 0.00 C ATOM 281 CD ARG A 17 14.086 4.271 15.231 1.00 0.00 C ATOM 282 NE ARG A 17 13.018 4.082 14.252 1.00 0.00 N ATOM 283 CZ ARG A 17 11.993 3.242 14.406 1.00 0.00 C ATOM 284 NH1 ARG A 17 11.933 2.433 15.457 1.00 0.00 N ATOM 285 NH2 ARG A 17 11.027 3.209 13.504 1.00 0.00 N ATOM 0 H ARG A 17 16.842 1.050 12.950 1.00 0.00 H new ATOM 0 HA ARG A 17 17.251 3.778 12.480 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.136 2.745 13.231 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.876 2.284 14.751 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.191 4.684 15.320 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.437 5.138 13.805 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.081 3.439 15.935 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.893 5.177 15.806 1.00 0.00 H new ATOM 0 HE ARG A 17 13.059 4.629 13.392 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.675 2.450 16.157 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.145 1.795 15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.066 3.825 12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.243 2.567 13.620 1.00 0.00 H new ATOM 299 N MET A 18 18.647 2.657 15.263 1.00 0.00 N ATOM 300 CA MET A 18 19.656 2.975 16.270 1.00 0.00 C ATOM 301 C MET A 18 21.003 3.227 15.613 1.00 0.00 C ATOM 302 O MET A 18 21.715 4.166 15.973 1.00 0.00 O ATOM 303 CB MET A 18 19.791 1.845 17.296 1.00 0.00 C ATOM 304 CG MET A 18 18.562 1.656 18.169 1.00 0.00 C ATOM 305 SD MET A 18 18.785 0.359 19.402 1.00 0.00 S ATOM 306 CE MET A 18 17.167 0.340 20.169 1.00 0.00 C ATOM 0 H MET A 18 18.231 1.731 15.360 1.00 0.00 H new ATOM 0 HA MET A 18 19.332 3.878 16.787 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.998 0.913 16.770 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.651 2.048 17.935 1.00 0.00 H new ATOM 0 HG2 MET A 18 18.329 2.595 18.672 1.00 0.00 H new ATOM 0 HG3 MET A 18 17.707 1.411 17.539 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.146 -0.414 20.956 1.00 0.00 H new ATOM 0 HE2 MET A 18 16.957 1.319 20.599 1.00 0.00 H new ATOM 0 HE3 MET A 18 16.412 0.104 19.419 1.00 0.00 H new ATOM 316 N VAL A 19 21.340 2.391 14.635 1.00 0.00 N ATOM 317 CA VAL A 19 22.588 2.536 13.899 1.00 0.00 C ATOM 318 C VAL A 19 22.639 3.880 13.180 1.00 0.00 C ATOM 319 O VAL A 19 23.638 4.583 13.256 1.00 0.00 O ATOM 320 CB VAL A 19 22.793 1.390 12.882 1.00 0.00 C ATOM 321 CG1 VAL A 19 24.012 1.645 12.004 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.942 0.066 13.613 1.00 0.00 C ATOM 0 H VAL A 19 20.763 1.605 14.335 1.00 0.00 H new ATOM 0 HA VAL A 19 23.396 2.489 14.629 1.00 0.00 H new ATOM 0 HB VAL A 19 21.915 1.347 12.237 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.131 0.822 11.299 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.877 2.577 11.455 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.902 1.718 12.629 1.00 0.00 H new ATOM 0 HG21 VAL A 19 23.086 -0.735 12.888 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.804 0.113 14.278 1.00 0.00 H new ATOM 0 HG23 VAL A 19 22.043 -0.130 14.197 1.00 0.00 H new ATOM 332 N LEU A 20 21.554 4.240 12.503 1.00 0.00 N ATOM 333 CA LEU A 20 21.497 5.501 11.766 1.00 0.00 C ATOM 334 C LEU A 20 21.634 6.697 12.708 1.00 0.00 C ATOM 335 O LEU A 20 22.400 7.627 12.436 1.00 0.00 O ATOM 336 CB LEU A 20 20.195 5.605 10.966 1.00 0.00 C ATOM 337 CG LEU A 20 20.032 4.572 9.849 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.708 4.770 9.131 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.190 4.660 8.864 1.00 0.00 C ATOM 0 H LEU A 20 20.703 3.680 12.448 1.00 0.00 H new ATOM 0 HA LEU A 20 22.336 5.515 11.070 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.356 5.507 11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.135 6.602 10.529 1.00 0.00 H new ATOM 0 HG LEU A 20 20.037 3.578 10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.609 4.027 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.889 4.656 9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.676 5.769 8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.056 3.918 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.217 5.656 8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.127 4.469 9.387 1.00 0.00 H new ATOM 351 N GLU A 21 20.909 6.664 13.820 1.00 0.00 N ATOM 352 CA GLU A 21 20.964 7.747 14.795 1.00 0.00 C ATOM 353 C GLU A 21 22.368 7.868 15.379 1.00 0.00 C ATOM 354 O GLU A 21 22.902 8.969 15.515 1.00 0.00 O ATOM 355 CB GLU A 21 19.938 7.524 15.907 1.00 0.00 C ATOM 356 CG GLU A 21 19.870 8.666 16.911 1.00 0.00 C ATOM 357 CD GLU A 21 18.787 8.470 17.951 1.00 0.00 C ATOM 358 OE1 GLU A 21 19.034 7.764 18.948 1.00 0.00 O ATOM 359 OE2 GLU A 21 17.678 9.021 17.770 1.00 0.00 O ATOM 0 H GLU A 21 20.278 5.902 14.069 1.00 0.00 H new ATOM 0 HA GLU A 21 20.720 8.680 14.286 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.954 7.386 15.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.181 6.602 16.434 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.834 8.762 17.411 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.692 9.601 16.379 1.00 0.00 H new ATOM 366 N SER A 22 22.976 6.728 15.683 1.00 0.00 N ATOM 367 CA SER A 22 24.323 6.709 16.232 1.00 0.00 C ATOM 368 C SER A 22 25.355 6.982 15.137 1.00 0.00 C ATOM 369 O SER A 22 26.514 7.281 15.419 1.00 0.00 O ATOM 370 CB SER A 22 24.603 5.364 16.900 1.00 0.00 C ATOM 371 OG SER A 22 23.593 5.043 17.842 1.00 0.00 O ATOM 0 H SER A 22 22.557 5.806 15.558 1.00 0.00 H new ATOM 0 HA SER A 22 24.401 7.496 16.982 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.660 4.583 16.142 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.572 5.396 17.398 1.00 0.00 H new ATOM 0 HG SER A 22 22.804 4.701 17.372 1.00 0.00 H new ATOM 377 N GLN A 23 24.929 6.881 13.883 1.00 0.00 N ATOM 378 CA GLN A 23 25.804 7.179 12.761 1.00 0.00 C ATOM 379 C GLN A 23 25.814 8.679 12.507 1.00 0.00 C ATOM 380 O GLN A 23 26.665 9.200 11.787 1.00 0.00 O ATOM 381 CB GLN A 23 25.356 6.420 11.516 1.00 0.00 C ATOM 382 CG GLN A 23 26.456 6.249 10.488 1.00 0.00 C ATOM 383 CD GLN A 23 27.743 5.740 11.103 1.00 0.00 C ATOM 384 OE1 GLN A 23 27.839 4.438 11.264 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 28.621 6.516 11.469 1.00 0.00 N flip ATOM 0 H GLN A 23 23.985 6.596 13.621 1.00 0.00 H new ATOM 0 HA GLN A 23 26.817 6.856 13.002 1.00 0.00 H new ATOM 0 HB2 GLN A 23 24.989 5.437 11.811 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.520 6.949 11.058 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.125 5.554 9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 23 26.643 7.204 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 23 28.507 7.519 11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 23 29.464 6.157 11.917 1.00 0.00 H new ATOM 394 N GLY A 24 24.841 9.367 13.092 1.00 0.00 N ATOM 395 CA GLY A 24 24.897 10.811 13.154 1.00 0.00 C ATOM 396 C GLY A 24 25.801 11.259 14.286 1.00 0.00 C ATOM 397 O GLY A 24 26.093 12.443 14.444 1.00 0.00 O ATOM 0 H GLY A 24 24.016 8.950 13.523 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.265 11.208 12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.895 11.214 13.300 1.00 0.00 H new ATOM 401 N GLU A 25 26.241 10.287 15.072 1.00 0.00 N ATOM 402 CA GLU A 25 27.143 10.526 16.187 1.00 0.00 C ATOM 403 C GLU A 25 28.575 10.200 15.771 1.00 0.00 C ATOM 404 O GLU A 25 29.489 11.011 15.936 1.00 0.00 O ATOM 405 CB GLU A 25 26.727 9.649 17.374 1.00 0.00 C ATOM 406 CG GLU A 25 27.577 9.825 18.620 1.00 0.00 C ATOM 407 CD GLU A 25 27.187 11.041 19.426 1.00 0.00 C ATOM 408 OE1 GLU A 25 27.539 12.167 19.026 1.00 0.00 O ATOM 409 OE2 GLU A 25 26.537 10.873 20.480 1.00 0.00 O ATOM 0 H GLU A 25 25.981 9.308 14.953 1.00 0.00 H new ATOM 0 HA GLU A 25 27.092 11.575 16.480 1.00 0.00 H new ATOM 0 HB2 GLU A 25 25.689 9.868 17.624 1.00 0.00 H new ATOM 0 HB3 GLU A 25 26.767 8.604 17.068 1.00 0.00 H new ATOM 0 HG2 GLU A 25 27.487 8.936 19.245 1.00 0.00 H new ATOM 0 HG3 GLU A 25 28.625 9.907 18.331 1.00 0.00 H new ATOM 416 N TYR A 26 28.759 9.007 15.218 1.00 0.00 N ATOM 417 CA TYR A 26 30.076 8.549 14.800 1.00 0.00 C ATOM 418 C TYR A 26 30.265 8.730 13.298 1.00 0.00 C ATOM 419 O TYR A 26 29.407 9.290 12.618 1.00 0.00 O ATOM 420 CB TYR A 26 30.269 7.074 15.167 1.00 0.00 C ATOM 421 CG TYR A 26 30.169 6.792 16.647 1.00 0.00 C ATOM 422 CD1 TYR A 26 31.267 6.960 17.481 1.00 0.00 C ATOM 423 CD2 TYR A 26 28.976 6.357 17.211 1.00 0.00 C ATOM 424 CE1 TYR A 26 31.179 6.702 18.835 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.879 6.099 18.565 1.00 0.00 C ATOM 426 CZ TYR A 26 29.983 6.273 19.373 1.00 0.00 C ATOM 427 OH TYR A 26 29.891 6.018 20.721 1.00 0.00 O ATOM 0 H TYR A 26 28.008 8.338 15.049 1.00 0.00 H new ATOM 0 HA TYR A 26 30.820 9.151 15.321 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.521 6.479 14.643 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.245 6.746 14.810 1.00 0.00 H new ATOM 0 HD1 TYR A 26 32.204 7.298 17.064 1.00 0.00 H new ATOM 0 HD2 TYR A 26 28.110 6.218 16.581 1.00 0.00 H new ATOM 0 HE1 TYR A 26 32.042 6.835 19.470 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.944 5.763 18.988 1.00 0.00 H new ATOM 0 HH TYR A 26 28.981 5.726 20.937 1.00 0.00 H new ATOM 437 N ASP A 27 31.406 8.272 12.795 1.00 0.00 N ATOM 438 CA ASP A 27 31.705 8.336 11.366 1.00 0.00 C ATOM 439 C ASP A 27 31.845 6.937 10.779 1.00 0.00 C ATOM 440 O ASP A 27 31.525 6.704 9.615 1.00 0.00 O ATOM 441 CB ASP A 27 33.000 9.119 11.123 1.00 0.00 C ATOM 442 CG ASP A 27 32.850 10.611 11.351 1.00 0.00 C ATOM 443 OD1 ASP A 27 32.639 11.026 12.509 1.00 0.00 O ATOM 444 OD2 ASP A 27 32.973 11.378 10.373 1.00 0.00 O ATOM 0 H ASP A 27 32.144 7.850 13.358 1.00 0.00 H new ATOM 0 HA ASP A 27 30.877 8.846 10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.778 8.734 11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.334 8.946 10.100 1.00 0.00 H new ATOM 449 N SER A 28 32.336 6.010 11.592 1.00 0.00 N ATOM 450 CA SER A 28 32.575 4.647 11.144 1.00 0.00 C ATOM 451 C SER A 28 31.325 3.787 11.318 1.00 0.00 C ATOM 452 O SER A 28 30.691 3.794 12.376 1.00 0.00 O ATOM 453 CB SER A 28 33.752 4.056 11.917 1.00 0.00 C ATOM 454 OG SER A 28 34.887 4.904 11.826 1.00 0.00 O ATOM 0 H SER A 28 32.577 6.180 12.569 1.00 0.00 H new ATOM 0 HA SER A 28 32.818 4.662 10.081 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.476 3.920 12.963 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.995 3.070 11.521 1.00 0.00 H new ATOM 0 HG SER A 28 35.631 4.510 12.328 1.00 0.00 H new ATOM 460 N GLN A 29 30.993 3.040 10.274 1.00 0.00 N ATOM 461 CA GLN A 29 29.755 2.276 10.233 1.00 0.00 C ATOM 462 C GLN A 29 29.788 1.089 11.189 1.00 0.00 C ATOM 463 O GLN A 29 28.877 0.910 11.999 1.00 0.00 O ATOM 464 CB GLN A 29 29.485 1.783 8.813 1.00 0.00 C ATOM 465 CG GLN A 29 28.101 1.186 8.630 1.00 0.00 C ATOM 466 CD GLN A 29 27.880 0.667 7.224 1.00 0.00 C ATOM 467 OE1 GLN A 29 26.647 0.742 6.749 1.00 0.00 O flip ATOM 468 NE2 GLN A 29 28.809 0.212 6.562 1.00 0.00 N flip ATOM 0 H GLN A 29 31.570 2.947 9.438 1.00 0.00 H new ATOM 0 HA GLN A 29 28.952 2.942 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.608 2.615 8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 29 30.232 1.035 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.962 0.372 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 29 27.349 1.941 8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 29 29.747 0.170 6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 29 28.643 -0.124 5.613 1.00 0.00 H new ATOM 477 N TRP A 30 30.841 0.284 11.104 1.00 0.00 N ATOM 478 CA TRP A 30 30.914 -0.950 11.878 1.00 0.00 C ATOM 479 C TRP A 30 31.069 -0.650 13.365 1.00 0.00 C ATOM 480 O TRP A 30 30.674 -1.454 14.212 1.00 0.00 O ATOM 481 CB TRP A 30 32.063 -1.831 11.389 1.00 0.00 C ATOM 482 CG TRP A 30 31.967 -3.248 11.873 1.00 0.00 C ATOM 483 CD1 TRP A 30 31.173 -4.231 11.359 1.00 0.00 C ATOM 484 CD2 TRP A 30 32.690 -3.843 12.958 1.00 0.00 C ATOM 485 NE1 TRP A 30 31.348 -5.398 12.062 1.00 0.00 N ATOM 486 CE2 TRP A 30 32.276 -5.185 13.046 1.00 0.00 C ATOM 487 CE3 TRP A 30 33.644 -3.374 13.864 1.00 0.00 C ATOM 488 CZ2 TRP A 30 32.786 -6.062 14.000 1.00 0.00 C ATOM 489 CZ3 TRP A 30 34.148 -4.246 14.809 1.00 0.00 C ATOM 490 CH2 TRP A 30 33.719 -5.574 14.871 1.00 0.00 C ATOM 0 H TRP A 30 31.651 0.462 10.511 1.00 0.00 H new ATOM 0 HA TRP A 30 29.980 -1.492 11.733 1.00 0.00 H new ATOM 0 HB2 TRP A 30 32.078 -1.826 10.299 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.008 -1.403 11.723 1.00 0.00 H new ATOM 0 HD1 TRP A 30 30.503 -4.109 10.520 1.00 0.00 H new ATOM 0 HE1 TRP A 30 30.866 -6.278 11.881 1.00 0.00 H new ATOM 0 HE3 TRP A 30 33.981 -2.349 13.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 32.456 -7.089 14.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 34.888 -3.895 15.513 1.00 0.00 H new ATOM 0 HH2 TRP A 30 34.133 -6.229 15.623 1.00 0.00 H new ATOM 501 N ALA A 31 31.628 0.515 13.674 1.00 0.00 N ATOM 502 CA ALA A 31 31.762 0.965 15.055 1.00 0.00 C ATOM 503 C ALA A 31 30.392 1.047 15.720 1.00 0.00 C ATOM 504 O ALA A 31 30.238 0.766 16.909 1.00 0.00 O ATOM 505 CB ALA A 31 32.461 2.315 15.105 1.00 0.00 C ATOM 0 H ALA A 31 31.997 1.168 12.983 1.00 0.00 H new ATOM 0 HA ALA A 31 32.368 0.242 15.601 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.554 2.638 16.142 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.453 2.228 14.662 1.00 0.00 H new ATOM 0 HB3 ALA A 31 31.878 3.048 14.547 1.00 0.00 H new ATOM 511 N THR A 32 29.394 1.423 14.934 1.00 0.00 N ATOM 512 CA THR A 32 28.028 1.484 15.419 1.00 0.00 C ATOM 513 C THR A 32 27.430 0.080 15.482 1.00 0.00 C ATOM 514 O THR A 32 26.738 -0.276 16.439 1.00 0.00 O ATOM 515 CB THR A 32 27.162 2.367 14.505 1.00 0.00 C ATOM 516 OG1 THR A 32 27.854 3.589 14.222 1.00 0.00 O ATOM 517 CG2 THR A 32 25.830 2.678 15.162 1.00 0.00 C ATOM 0 H THR A 32 29.507 1.690 13.956 1.00 0.00 H new ATOM 0 HA THR A 32 28.043 1.920 16.418 1.00 0.00 H new ATOM 0 HB THR A 32 26.974 1.826 13.578 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.800 3.781 13.262 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.234 3.304 14.498 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.296 1.748 15.361 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.001 3.206 16.100 1.00 0.00 H new ATOM 525 N ILE A 33 27.737 -0.716 14.463 1.00 0.00 N ATOM 526 CA ILE A 33 27.219 -2.076 14.344 1.00 0.00 C ATOM 527 C ILE A 33 27.594 -2.927 15.559 1.00 0.00 C ATOM 528 O ILE A 33 26.735 -3.563 16.169 1.00 0.00 O ATOM 529 CB ILE A 33 27.751 -2.759 13.062 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.367 -1.951 11.819 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.230 -4.186 12.949 1.00 0.00 C ATOM 532 CD1 ILE A 33 25.873 -1.802 11.616 1.00 0.00 C ATOM 0 H ILE A 33 28.351 -0.438 13.697 1.00 0.00 H new ATOM 0 HA ILE A 33 26.133 -2.000 14.290 1.00 0.00 H new ATOM 0 HB ILE A 33 28.838 -2.797 13.128 1.00 0.00 H new ATOM 0 HG12 ILE A 33 27.814 -0.959 11.891 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.796 -2.431 10.940 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.618 -4.644 12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.558 -4.763 13.814 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.141 -4.174 12.912 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.685 -1.218 10.715 1.00 0.00 H new ATOM 0 HD12 ILE A 33 25.420 -2.788 11.510 1.00 0.00 H new ATOM 0 HD13 ILE A 33 25.438 -1.293 12.476 1.00 0.00 H new ATOM 544 N CYS A 34 28.873 -2.907 15.923 1.00 0.00 N ATOM 545 CA CYS A 34 29.377 -3.754 17.002 1.00 0.00 C ATOM 546 C CYS A 34 28.938 -3.253 18.377 1.00 0.00 C ATOM 547 O CYS A 34 29.187 -3.909 19.388 1.00 0.00 O ATOM 548 CB CYS A 34 30.902 -3.837 16.936 1.00 0.00 C ATOM 549 SG CYS A 34 31.721 -2.229 16.867 1.00 0.00 S ATOM 0 H CYS A 34 29.580 -2.314 15.488 1.00 0.00 H new ATOM 0 HA CYS A 34 28.951 -4.748 16.864 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.264 -4.381 17.808 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.187 -4.417 16.058 1.00 0.00 H new ATOM 0 HG CYS A 34 31.509 -1.684 15.706 1.00 0.00 H new ATOM 555 N SER A 35 28.289 -2.097 18.412 1.00 0.00 N ATOM 556 CA SER A 35 27.798 -1.538 19.663 1.00 0.00 C ATOM 557 C SER A 35 26.313 -1.849 19.851 1.00 0.00 C ATOM 558 O SER A 35 25.871 -2.193 20.948 1.00 0.00 O ATOM 559 CB SER A 35 28.029 -0.024 19.689 1.00 0.00 C ATOM 560 OG SER A 35 29.405 0.287 19.535 1.00 0.00 O ATOM 0 H SER A 35 28.091 -1.529 17.589 1.00 0.00 H new ATOM 0 HA SER A 35 28.350 -1.996 20.484 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.455 0.448 18.891 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.664 0.386 20.630 1.00 0.00 H new ATOM 0 HG SER A 35 29.603 0.436 18.587 1.00 0.00 H new ATOM 566 N ILE A 36 25.548 -1.746 18.771 1.00 0.00 N ATOM 567 CA ILE A 36 24.100 -1.916 18.843 1.00 0.00 C ATOM 568 C ILE A 36 23.699 -3.392 18.781 1.00 0.00 C ATOM 569 O ILE A 36 22.827 -3.834 19.534 1.00 0.00 O ATOM 570 CB ILE A 36 23.390 -1.141 17.709 1.00 0.00 C ATOM 571 CG1 ILE A 36 23.711 0.354 17.804 1.00 0.00 C ATOM 572 CG2 ILE A 36 21.884 -1.364 17.751 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.264 0.998 19.103 1.00 0.00 C ATOM 0 H ILE A 36 25.904 -1.546 17.836 1.00 0.00 H new ATOM 0 HA ILE A 36 23.784 -1.511 19.804 1.00 0.00 H new ATOM 0 HB ILE A 36 23.760 -1.521 16.757 1.00 0.00 H new ATOM 0 HG12 ILE A 36 24.786 0.492 17.693 1.00 0.00 H new ATOM 0 HG13 ILE A 36 23.235 0.871 16.971 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.411 -0.807 16.942 1.00 0.00 H new ATOM 0 HG22 ILE A 36 21.670 -2.426 17.634 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.492 -1.018 18.707 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.527 2.056 19.094 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.184 0.893 19.208 1.00 0.00 H new ATOM 0 HD13 ILE A 36 23.760 0.508 19.941 1.00 0.00 H new ATOM 585 N ALA A 37 24.352 -4.147 17.903 1.00 0.00 N ATOM 586 CA ALA A 37 24.016 -5.556 17.688 1.00 0.00 C ATOM 587 C ALA A 37 24.014 -6.371 18.994 1.00 0.00 C ATOM 588 O ALA A 37 23.018 -7.039 19.298 1.00 0.00 O ATOM 589 CB ALA A 37 24.958 -6.179 16.663 1.00 0.00 C ATOM 0 H ALA A 37 25.121 -3.807 17.325 1.00 0.00 H new ATOM 0 HA ALA A 37 22.998 -5.585 17.299 1.00 0.00 H new ATOM 0 HB1 ALA A 37 24.694 -7.226 16.515 1.00 0.00 H new ATOM 0 HB2 ALA A 37 24.870 -5.646 15.716 1.00 0.00 H new ATOM 0 HB3 ALA A 37 25.984 -6.111 17.024 1.00 0.00 H new ATOM 595 N PRO A 38 25.104 -6.333 19.796 1.00 0.00 N ATOM 596 CA PRO A 38 25.185 -7.107 21.043 1.00 0.00 C ATOM 597 C PRO A 38 24.176 -6.645 22.096 1.00 0.00 C ATOM 598 O PRO A 38 23.818 -7.407 22.998 1.00 0.00 O ATOM 599 CB PRO A 38 26.616 -6.866 21.533 1.00 0.00 C ATOM 600 CG PRO A 38 27.024 -5.589 20.897 1.00 0.00 C ATOM 601 CD PRO A 38 26.340 -5.561 19.562 1.00 0.00 C ATOM 0 HA PRO A 38 24.951 -8.158 20.873 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.656 -6.797 22.620 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.277 -7.682 21.241 1.00 0.00 H new ATOM 0 HG2 PRO A 38 26.727 -4.736 21.507 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.107 -5.537 20.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.123 -4.542 19.243 1.00 0.00 H new ATOM 0 HD3 PRO A 38 26.956 -6.014 18.785 1.00 0.00 H new ATOM 609 N LYS A 39 23.717 -5.404 21.982 1.00 0.00 N ATOM 610 CA LYS A 39 22.722 -4.880 22.910 1.00 0.00 C ATOM 611 C LYS A 39 21.356 -5.493 22.619 1.00 0.00 C ATOM 612 O LYS A 39 20.626 -5.873 23.536 1.00 0.00 O ATOM 613 CB LYS A 39 22.641 -3.350 22.829 1.00 0.00 C ATOM 614 CG LYS A 39 21.585 -2.758 23.753 1.00 0.00 C ATOM 615 CD LYS A 39 21.578 -1.238 23.723 1.00 0.00 C ATOM 616 CE LYS A 39 22.859 -0.659 24.307 1.00 0.00 C ATOM 617 NZ LYS A 39 22.794 0.821 24.430 1.00 0.00 N ATOM 0 H LYS A 39 24.015 -4.746 21.262 1.00 0.00 H new ATOM 0 HA LYS A 39 23.027 -5.151 23.921 1.00 0.00 H new ATOM 0 HB2 LYS A 39 23.614 -2.927 23.080 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.422 -3.058 21.802 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.602 -3.129 23.463 1.00 0.00 H new ATOM 0 HG3 LYS A 39 21.766 -3.098 24.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.458 -0.895 22.695 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.721 -0.867 24.285 1.00 0.00 H new ATOM 0 HE2 LYS A 39 23.041 -1.097 25.288 1.00 0.00 H new ATOM 0 HE3 LYS A 39 23.703 -0.934 23.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 23.685 1.175 24.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.646 1.241 23.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.005 1.083 25.054 1.00 0.00 H new ATOM 631 N ILE A 40 21.026 -5.596 21.336 1.00 0.00 N ATOM 632 CA ILE A 40 19.765 -6.193 20.918 1.00 0.00 C ATOM 633 C ILE A 40 19.796 -7.706 21.133 1.00 0.00 C ATOM 634 O ILE A 40 18.785 -8.323 21.474 1.00 0.00 O ATOM 635 CB ILE A 40 19.464 -5.884 19.436 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.463 -4.370 19.208 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.128 -6.489 19.015 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.256 -3.973 17.764 1.00 0.00 C ATOM 0 H ILE A 40 21.615 -5.273 20.568 1.00 0.00 H new ATOM 0 HA ILE A 40 18.973 -5.758 21.528 1.00 0.00 H new ATOM 0 HB ILE A 40 20.245 -6.333 18.822 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.677 -3.921 19.815 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.410 -3.958 19.557 1.00 0.00 H new ATOM 0 HG21 ILE A 40 17.938 -6.258 17.967 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.160 -7.570 19.148 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.330 -6.072 19.629 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.267 -2.886 17.680 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.056 -4.392 17.153 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.296 -4.354 17.416 1.00 0.00 H new ATOM 650 N GLY A 41 20.971 -8.293 20.947 1.00 0.00 N ATOM 651 CA GLY A 41 21.126 -9.719 21.147 1.00 0.00 C ATOM 652 C GLY A 41 21.411 -10.454 19.854 1.00 0.00 C ATOM 653 O GLY A 41 20.927 -11.566 19.643 1.00 0.00 O ATOM 0 H GLY A 41 21.820 -7.806 20.661 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.939 -9.899 21.851 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.219 -10.121 21.598 1.00 0.00 H new ATOM 657 N CYS A 42 22.199 -9.833 18.991 1.00 0.00 N ATOM 658 CA CYS A 42 22.551 -10.423 17.710 1.00 0.00 C ATOM 659 C CYS A 42 24.016 -10.146 17.392 1.00 0.00 C ATOM 660 O CYS A 42 24.668 -9.364 18.085 1.00 0.00 O ATOM 661 CB CYS A 42 21.647 -9.862 16.607 1.00 0.00 C ATOM 662 SG CYS A 42 21.638 -8.055 16.517 1.00 0.00 S ATOM 0 H CYS A 42 22.609 -8.914 19.157 1.00 0.00 H new ATOM 0 HA CYS A 42 22.405 -11.502 17.763 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.971 -10.262 15.646 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.628 -10.213 16.772 1.00 0.00 H new ATOM 0 HG CYS A 42 22.153 -7.564 17.605 1.00 0.00 H new ATOM 668 N THR A 43 24.535 -10.791 16.362 1.00 0.00 N ATOM 669 CA THR A 43 25.910 -10.568 15.958 1.00 0.00 C ATOM 670 C THR A 43 25.994 -9.557 14.810 1.00 0.00 C ATOM 671 O THR A 43 25.058 -9.427 14.014 1.00 0.00 O ATOM 672 CB THR A 43 26.593 -11.888 15.561 1.00 0.00 C ATOM 673 OG1 THR A 43 25.765 -12.620 14.650 1.00 0.00 O ATOM 674 CG2 THR A 43 26.889 -12.739 16.788 1.00 0.00 C ATOM 0 H THR A 43 24.028 -11.469 15.794 1.00 0.00 H new ATOM 0 HA THR A 43 26.439 -10.154 16.816 1.00 0.00 H new ATOM 0 HB THR A 43 27.537 -11.646 15.073 1.00 0.00 H new ATOM 0 HG1 THR A 43 26.301 -12.911 13.882 1.00 0.00 H new ATOM 0 HG21 THR A 43 27.372 -13.666 16.480 1.00 0.00 H new ATOM 0 HG22 THR A 43 27.550 -12.192 17.460 1.00 0.00 H new ATOM 0 HG23 THR A 43 25.957 -12.969 17.304 1.00 0.00 H new ATOM 682 N PRO A 44 27.121 -8.826 14.727 1.00 0.00 N ATOM 683 CA PRO A 44 27.326 -7.747 13.749 1.00 0.00 C ATOM 684 C PRO A 44 27.077 -8.156 12.297 1.00 0.00 C ATOM 685 O PRO A 44 26.700 -7.313 11.478 1.00 0.00 O ATOM 686 CB PRO A 44 28.795 -7.367 13.940 1.00 0.00 C ATOM 687 CG PRO A 44 29.101 -7.751 15.343 1.00 0.00 C ATOM 688 CD PRO A 44 28.294 -8.989 15.607 1.00 0.00 C ATOM 0 HA PRO A 44 26.617 -6.937 13.921 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.436 -7.896 13.235 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.953 -6.301 13.777 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.166 -7.942 15.474 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.833 -6.953 16.035 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.854 -9.893 15.367 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.003 -9.063 16.655 1.00 0.00 H new ATOM 696 N GLU A 45 27.296 -9.431 11.970 1.00 0.00 N ATOM 697 CA GLU A 45 27.089 -9.919 10.603 1.00 0.00 C ATOM 698 C GLU A 45 25.688 -9.567 10.115 1.00 0.00 C ATOM 699 O GLU A 45 25.516 -8.917 9.084 1.00 0.00 O ATOM 700 CB GLU A 45 27.264 -11.444 10.500 1.00 0.00 C ATOM 701 CG GLU A 45 28.534 -11.988 11.132 1.00 0.00 C ATOM 702 CD GLU A 45 28.384 -12.208 12.618 1.00 0.00 C ATOM 703 OE1 GLU A 45 27.784 -13.234 13.011 1.00 0.00 O ATOM 704 OE2 GLU A 45 28.849 -11.352 13.394 1.00 0.00 O ATOM 0 H GLU A 45 27.615 -10.142 12.628 1.00 0.00 H new ATOM 0 HA GLU A 45 27.843 -9.433 9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 45 26.407 -11.926 10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.250 -11.726 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 45 28.802 -12.930 10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.354 -11.293 10.950 1.00 0.00 H new ATOM 711 N THR A 46 24.696 -9.982 10.889 1.00 0.00 N ATOM 712 CA THR A 46 23.302 -9.819 10.515 1.00 0.00 C ATOM 713 C THR A 46 22.896 -8.346 10.516 1.00 0.00 C ATOM 714 O THR A 46 22.082 -7.919 9.696 1.00 0.00 O ATOM 715 CB THR A 46 22.395 -10.621 11.468 1.00 0.00 C ATOM 716 OG1 THR A 46 22.852 -11.980 11.532 1.00 0.00 O ATOM 717 CG2 THR A 46 20.946 -10.600 11.001 1.00 0.00 C ATOM 0 H THR A 46 24.835 -10.439 11.790 1.00 0.00 H new ATOM 0 HA THR A 46 23.180 -10.202 9.502 1.00 0.00 H new ATOM 0 HB THR A 46 22.445 -10.159 12.454 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.277 -12.490 12.139 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.332 -11.175 11.694 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.589 -9.571 10.968 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.878 -11.040 10.006 1.00 0.00 H new ATOM 725 N LEU A 47 23.486 -7.570 11.422 1.00 0.00 N ATOM 726 CA LEU A 47 23.184 -6.148 11.524 1.00 0.00 C ATOM 727 C LEU A 47 23.556 -5.443 10.218 1.00 0.00 C ATOM 728 O LEU A 47 22.785 -4.638 9.690 1.00 0.00 O ATOM 729 CB LEU A 47 23.952 -5.530 12.700 1.00 0.00 C ATOM 730 CG LEU A 47 23.193 -4.479 13.524 1.00 0.00 C ATOM 731 CD1 LEU A 47 22.675 -3.355 12.644 1.00 0.00 C ATOM 732 CD2 LEU A 47 22.049 -5.126 14.287 1.00 0.00 C ATOM 0 H LEU A 47 24.176 -7.904 12.095 1.00 0.00 H new ATOM 0 HA LEU A 47 22.116 -6.022 11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.260 -6.334 13.369 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.862 -5.071 12.313 1.00 0.00 H new ATOM 0 HG LEU A 47 23.893 -4.048 14.240 1.00 0.00 H new ATOM 0 HD11 LEU A 47 22.143 -2.628 13.258 1.00 0.00 H new ATOM 0 HD12 LEU A 47 23.513 -2.866 12.147 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.997 -3.763 11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 47 21.522 -4.367 14.865 1.00 0.00 H new ATOM 0 HD22 LEU A 47 21.358 -5.590 13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.445 -5.886 14.961 1.00 0.00 H new ATOM 744 N ARG A 48 24.732 -5.772 9.686 1.00 0.00 N ATOM 745 CA ARG A 48 25.194 -5.188 8.432 1.00 0.00 C ATOM 746 C ARG A 48 24.303 -5.602 7.266 1.00 0.00 C ATOM 747 O ARG A 48 24.113 -4.838 6.318 1.00 0.00 O ATOM 748 CB ARG A 48 26.642 -5.588 8.143 1.00 0.00 C ATOM 749 CG ARG A 48 27.668 -4.783 8.923 1.00 0.00 C ATOM 750 CD ARG A 48 29.086 -5.177 8.548 1.00 0.00 C ATOM 751 NE ARG A 48 29.298 -5.146 7.098 1.00 0.00 N ATOM 752 CZ ARG A 48 30.453 -4.822 6.518 1.00 0.00 C ATOM 753 NH1 ARG A 48 31.495 -4.440 7.251 1.00 0.00 N ATOM 754 NH2 ARG A 48 30.564 -4.868 5.197 1.00 0.00 N ATOM 0 H ARG A 48 25.380 -6.439 10.105 1.00 0.00 H new ATOM 0 HA ARG A 48 25.141 -4.105 8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.770 -6.645 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.836 -5.470 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.521 -3.720 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.517 -4.937 9.991 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.790 -4.501 9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.296 -6.178 8.924 1.00 0.00 H new ATOM 0 HE ARG A 48 28.512 -5.388 6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 48 31.414 -4.393 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 48 32.375 -4.194 6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.766 -5.151 4.628 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.447 -4.620 4.750 1.00 0.00 H new ATOM 768 N VAL A 49 23.753 -6.809 7.344 1.00 0.00 N ATOM 769 CA VAL A 49 22.856 -7.307 6.309 1.00 0.00 C ATOM 770 C VAL A 49 21.591 -6.456 6.245 1.00 0.00 C ATOM 771 O VAL A 49 21.110 -6.128 5.161 1.00 0.00 O ATOM 772 CB VAL A 49 22.478 -8.786 6.546 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.515 -9.282 5.476 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.722 -9.657 6.581 1.00 0.00 C ATOM 0 H VAL A 49 23.913 -7.460 8.113 1.00 0.00 H new ATOM 0 HA VAL A 49 23.386 -7.240 5.359 1.00 0.00 H new ATOM 0 HB VAL A 49 21.978 -8.854 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.265 -10.326 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.606 -8.681 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.984 -9.194 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.435 -10.695 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.250 -9.576 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.375 -9.326 7.388 1.00 0.00 H new ATOM 784 N TRP A 50 21.076 -6.083 7.414 1.00 0.00 N ATOM 785 CA TRP A 50 19.890 -5.238 7.495 1.00 0.00 C ATOM 786 C TRP A 50 20.174 -3.843 6.940 1.00 0.00 C ATOM 787 O TRP A 50 19.341 -3.262 6.243 1.00 0.00 O ATOM 788 CB TRP A 50 19.391 -5.135 8.939 1.00 0.00 C ATOM 789 CG TRP A 50 18.842 -6.420 9.485 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.231 -7.414 8.781 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.839 -6.836 10.854 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.846 -8.425 9.628 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.213 -8.097 10.907 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.309 -6.273 12.043 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.043 -8.795 12.098 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.139 -6.969 13.224 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.514 -8.219 13.244 1.00 0.00 C ATOM 0 H TRP A 50 21.463 -6.353 8.318 1.00 0.00 H new ATOM 0 HA TRP A 50 19.112 -5.702 6.889 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.212 -4.803 9.574 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.617 -4.369 8.992 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.072 -7.408 7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.365 -9.281 9.350 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.797 -5.310 12.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.556 -9.759 12.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.495 -6.540 14.149 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.401 -8.740 14.183 1.00 0.00 H new ATOM 808 N VAL A 51 21.359 -3.318 7.241 1.00 0.00 N ATOM 809 CA VAL A 51 21.757 -2.005 6.744 1.00 0.00 C ATOM 810 C VAL A 51 21.865 -2.019 5.221 1.00 0.00 C ATOM 811 O VAL A 51 21.329 -1.142 4.545 1.00 0.00 O ATOM 812 CB VAL A 51 23.098 -1.542 7.351 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.474 -0.160 6.835 1.00 0.00 C ATOM 814 CG2 VAL A 51 23.024 -1.537 8.871 1.00 0.00 C ATOM 0 H VAL A 51 22.057 -3.780 7.824 1.00 0.00 H new ATOM 0 HA VAL A 51 20.984 -1.300 7.049 1.00 0.00 H new ATOM 0 HB VAL A 51 23.871 -2.246 7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 51 24.423 0.147 7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.571 -0.191 5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.698 0.555 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.979 -1.208 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 51 22.236 -0.857 9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.804 -2.543 9.228 1.00 0.00 H new ATOM 824 N ARG A 52 22.543 -3.035 4.692 1.00 0.00 N ATOM 825 CA ARG A 52 22.691 -3.193 3.244 1.00 0.00 C ATOM 826 C ARG A 52 21.332 -3.428 2.582 1.00 0.00 C ATOM 827 O ARG A 52 21.113 -3.053 1.430 1.00 0.00 O ATOM 828 CB ARG A 52 23.635 -4.359 2.928 1.00 0.00 C ATOM 829 CG ARG A 52 25.000 -3.942 2.384 1.00 0.00 C ATOM 830 CD ARG A 52 25.721 -2.965 3.304 1.00 0.00 C ATOM 831 NE ARG A 52 27.164 -2.921 3.032 1.00 0.00 N ATOM 832 CZ ARG A 52 27.835 -1.826 2.648 1.00 0.00 C ATOM 833 NH1 ARG A 52 27.193 -0.699 2.371 1.00 0.00 N ATOM 834 NH2 ARG A 52 29.146 -1.882 2.470 1.00 0.00 N ATOM 0 H ARG A 52 22.999 -3.762 5.243 1.00 0.00 H new ATOM 0 HA ARG A 52 23.117 -2.273 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.783 -4.945 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.153 -5.013 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 52 25.618 -4.829 2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 52 24.872 -3.485 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 52 25.297 -1.968 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 52 25.556 -3.254 4.342 1.00 0.00 H new ATOM 0 HE ARG A 52 27.693 -3.786 3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 52 26.177 -0.658 2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 52 27.715 0.127 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 52 29.645 -2.758 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 52 29.657 -1.049 2.178 1.00 0.00 H new ATOM 848 N GLN A 53 20.419 -4.041 3.326 1.00 0.00 N ATOM 849 CA GLN A 53 19.069 -4.290 2.839 1.00 0.00 C ATOM 850 C GLN A 53 18.325 -2.969 2.649 1.00 0.00 C ATOM 851 O GLN A 53 17.765 -2.707 1.586 1.00 0.00 O ATOM 852 CB GLN A 53 18.317 -5.194 3.822 1.00 0.00 C ATOM 853 CG GLN A 53 16.956 -5.655 3.331 1.00 0.00 C ATOM 854 CD GLN A 53 17.036 -6.432 2.033 1.00 0.00 C ATOM 855 OE1 GLN A 53 16.925 -5.866 0.947 1.00 0.00 O ATOM 856 NE2 GLN A 53 17.244 -7.735 2.133 1.00 0.00 N ATOM 0 H GLN A 53 20.591 -4.376 4.274 1.00 0.00 H new ATOM 0 HA GLN A 53 19.126 -4.795 1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.930 -6.070 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.189 -4.660 4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.491 -6.278 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.311 -4.787 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.331 -8.169 3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.318 -8.306 1.291 1.00 0.00 H new ATOM 865 N HIS A 54 18.343 -2.134 3.684 1.00 0.00 N ATOM 866 CA HIS A 54 17.700 -0.822 3.622 1.00 0.00 C ATOM 867 C HIS A 54 18.435 0.083 2.635 1.00 0.00 C ATOM 868 O HIS A 54 17.852 1.007 2.069 1.00 0.00 O ATOM 869 CB HIS A 54 17.655 -0.174 5.012 1.00 0.00 C ATOM 870 CG HIS A 54 17.003 1.177 5.033 1.00 0.00 C ATOM 871 ND1 HIS A 54 15.641 1.362 4.966 1.00 0.00 N ATOM 872 CD2 HIS A 54 17.544 2.417 5.106 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.372 2.653 4.991 1.00 0.00 C ATOM 874 NE2 HIS A 54 16.510 3.318 5.076 1.00 0.00 N ATOM 0 H HIS A 54 18.795 -2.341 4.575 1.00 0.00 H new ATOM 0 HA HIS A 54 16.676 -0.957 3.275 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.120 -0.835 5.693 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.672 -0.081 5.392 1.00 0.00 H new ATOM 0 HD2 HIS A 54 18.596 2.653 5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.386 3.093 4.949 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.604 4.333 5.113 1.00 0.00 H new ATOM 883 N GLU A 55 19.716 -0.195 2.448 1.00 0.00 N ATOM 884 CA GLU A 55 20.542 0.534 1.494 1.00 0.00 C ATOM 885 C GLU A 55 19.965 0.427 0.083 1.00 0.00 C ATOM 886 O GLU A 55 19.809 1.430 -0.613 1.00 0.00 O ATOM 887 CB GLU A 55 21.957 -0.028 1.520 1.00 0.00 C ATOM 888 CG GLU A 55 22.905 0.624 0.537 1.00 0.00 C ATOM 889 CD GLU A 55 24.187 -0.158 0.403 1.00 0.00 C ATOM 890 OE1 GLU A 55 24.813 -0.450 1.439 1.00 0.00 O ATOM 891 OE2 GLU A 55 24.563 -0.509 -0.737 1.00 0.00 O ATOM 0 H GLU A 55 20.213 -0.930 2.951 1.00 0.00 H new ATOM 0 HA GLU A 55 20.559 1.587 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 55 22.361 0.085 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.915 -1.097 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.423 0.703 -0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.129 1.639 0.865 1.00 0.00 H new ATOM 898 N ARG A 56 19.645 -0.796 -0.325 1.00 0.00 N ATOM 899 CA ARG A 56 19.076 -1.039 -1.647 1.00 0.00 C ATOM 900 C ARG A 56 17.604 -0.635 -1.668 1.00 0.00 C ATOM 901 O ARG A 56 17.057 -0.274 -2.711 1.00 0.00 O ATOM 902 CB ARG A 56 19.235 -2.513 -2.029 1.00 0.00 C ATOM 903 CG ARG A 56 20.681 -2.982 -2.030 1.00 0.00 C ATOM 904 CD ARG A 56 20.805 -4.441 -2.441 1.00 0.00 C ATOM 905 NE ARG A 56 20.063 -5.332 -1.552 1.00 0.00 N ATOM 906 CZ ARG A 56 20.630 -6.103 -0.622 1.00 0.00 C ATOM 907 NH1 ARG A 56 21.943 -6.068 -0.425 1.00 0.00 N ATOM 908 NH2 ARG A 56 19.886 -6.913 0.118 1.00 0.00 N ATOM 0 H ARG A 56 19.770 -1.636 0.241 1.00 0.00 H new ATOM 0 HA ARG A 56 19.612 -0.434 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 56 18.662 -3.125 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 56 18.808 -2.673 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 56 21.263 -2.362 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 56 21.107 -2.848 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.439 -4.561 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 56 21.857 -4.727 -2.444 1.00 0.00 H new ATOM 0 HE ARG A 56 19.048 -5.367 -1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 56 22.527 -5.448 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 56 22.368 -6.661 0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.876 -6.949 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 56 20.323 -7.501 0.828 1.00 0.00 H new ATOM 922 N ASP A 57 16.978 -0.703 -0.499 1.00 0.00 N ATOM 923 CA ASP A 57 15.598 -0.256 -0.321 1.00 0.00 C ATOM 924 C ASP A 57 15.467 1.231 -0.633 1.00 0.00 C ATOM 925 O ASP A 57 14.547 1.649 -1.335 1.00 0.00 O ATOM 926 CB ASP A 57 15.138 -0.546 1.113 1.00 0.00 C ATOM 927 CG ASP A 57 13.904 0.239 1.518 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.793 -0.107 1.071 1.00 0.00 O ATOM 929 OD2 ASP A 57 14.041 1.195 2.310 1.00 0.00 O ATOM 0 H ASP A 57 17.409 -1.068 0.350 1.00 0.00 H new ATOM 0 HA ASP A 57 14.961 -0.804 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.931 -1.612 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.950 -0.314 1.802 1.00 0.00 H new ATOM 934 N THR A 58 16.400 2.020 -0.126 1.00 0.00 N ATOM 935 CA THR A 58 16.405 3.451 -0.375 1.00 0.00 C ATOM 936 C THR A 58 17.006 3.752 -1.751 1.00 0.00 C ATOM 937 O THR A 58 18.185 4.099 -1.874 1.00 0.00 O ATOM 938 CB THR A 58 17.189 4.196 0.727 1.00 0.00 C ATOM 939 OG1 THR A 58 16.744 3.748 2.014 1.00 0.00 O ATOM 940 CG2 THR A 58 16.995 5.701 0.625 1.00 0.00 C ATOM 0 H THR A 58 17.166 1.692 0.462 1.00 0.00 H new ATOM 0 HA THR A 58 15.374 3.803 -0.360 1.00 0.00 H new ATOM 0 HB THR A 58 18.249 3.978 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.076 2.841 2.177 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.560 6.195 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.349 6.048 -0.346 1.00 0.00 H new ATOM 0 HG23 THR A 58 15.937 5.940 0.732 1.00 0.00 H new ATOM 948 N GLY A 59 16.196 3.592 -2.786 1.00 0.00 N ATOM 949 CA GLY A 59 16.668 3.804 -4.138 1.00 0.00 C ATOM 950 C GLY A 59 16.378 5.203 -4.629 1.00 0.00 C ATOM 951 O GLY A 59 15.460 5.412 -5.424 1.00 0.00 O ATOM 0 H GLY A 59 15.216 3.318 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.742 3.621 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.196 3.082 -4.804 1.00 0.00 H new ATOM 955 N GLY A 60 17.162 6.163 -4.156 1.00 0.00 N ATOM 956 CA GLY A 60 16.964 7.547 -4.547 1.00 0.00 C ATOM 957 C GLY A 60 15.854 8.209 -3.759 1.00 0.00 C ATOM 958 O GLY A 60 15.165 9.097 -4.260 1.00 0.00 O ATOM 0 H GLY A 60 17.934 6.008 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.891 8.101 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.730 7.593 -5.611 1.00 0.00 H new ATOM 962 N ASP A 61 15.684 7.777 -2.516 1.00 0.00 N ATOM 963 CA ASP A 61 14.631 8.310 -1.651 1.00 0.00 C ATOM 964 C ASP A 61 15.096 9.559 -0.914 1.00 0.00 C ATOM 965 O ASP A 61 14.492 9.971 0.077 1.00 0.00 O ATOM 966 CB ASP A 61 14.175 7.253 -0.643 1.00 0.00 C ATOM 967 CG ASP A 61 13.341 6.164 -1.282 1.00 0.00 C ATOM 968 OD1 ASP A 61 13.917 5.166 -1.754 1.00 0.00 O ATOM 969 OD2 ASP A 61 12.099 6.311 -1.322 1.00 0.00 O ATOM 0 H ASP A 61 16.261 7.058 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 61 13.790 8.582 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.049 6.806 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.596 7.734 0.146 1.00 0.00 H new ATOM 974 N ASP A 62 16.170 10.156 -1.406 1.00 0.00 N ATOM 975 CA ASP A 62 16.690 11.396 -0.842 1.00 0.00 C ATOM 976 C ASP A 62 16.148 12.598 -1.611 1.00 0.00 C ATOM 977 O ASP A 62 16.363 13.748 -1.225 1.00 0.00 O ATOM 978 CB ASP A 62 18.218 11.406 -0.894 1.00 0.00 C ATOM 979 CG ASP A 62 18.742 11.356 -2.313 1.00 0.00 C ATOM 980 OD1 ASP A 62 18.912 12.426 -2.928 1.00 0.00 O ATOM 981 OD2 ASP A 62 18.969 10.239 -2.829 1.00 0.00 O ATOM 0 H ASP A 62 16.703 9.801 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 62 16.367 11.459 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 62 18.591 12.305 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 62 18.604 10.553 -0.336 1.00 0.00 H new ATOM 986 N GLY A 63 15.460 12.324 -2.712 1.00 0.00 N ATOM 987 CA GLY A 63 14.887 13.385 -3.513 1.00 0.00 C ATOM 988 C GLY A 63 15.663 13.625 -4.791 1.00 0.00 C ATOM 989 O GLY A 63 15.091 14.005 -5.814 1.00 0.00 O ATOM 0 H GLY A 63 15.289 11.382 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.855 13.134 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.861 14.305 -2.928 1.00 0.00 H new ATOM 993 N GLY A 64 16.968 13.404 -4.735 1.00 0.00 N ATOM 994 CA GLY A 64 17.806 13.617 -5.895 1.00 0.00 C ATOM 995 C GLY A 64 19.075 14.353 -5.544 1.00 0.00 C ATOM 996 O GLY A 64 20.167 13.785 -5.593 1.00 0.00 O ATOM 0 H GLY A 64 17.462 13.080 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.056 12.656 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.253 14.184 -6.644 1.00 0.00 H new ATOM 1000 N LEU A 65 18.939 15.618 -5.177 1.00 0.00 N ATOM 1001 CA LEU A 65 20.090 16.418 -4.803 1.00 0.00 C ATOM 1002 C LEU A 65 20.134 16.625 -3.297 1.00 0.00 C ATOM 1003 O LEU A 65 19.642 17.625 -2.773 1.00 0.00 O ATOM 1004 CB LEU A 65 20.096 17.773 -5.525 1.00 0.00 C ATOM 1005 CG LEU A 65 20.555 17.751 -6.990 1.00 0.00 C ATOM 1006 CD1 LEU A 65 21.928 17.107 -7.108 1.00 0.00 C ATOM 1007 CD2 LEU A 65 19.542 17.034 -7.875 1.00 0.00 C ATOM 0 H LEU A 65 18.046 16.109 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 65 20.981 15.871 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.089 18.188 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 65 20.743 18.454 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 65 20.626 18.782 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 65 22.238 17.100 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 65 22.648 17.676 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 65 21.883 16.084 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 65 19.895 17.035 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 65 19.423 16.006 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 65 18.582 17.548 -7.820 1.00 0.00 H new ATOM 1019 N THR A 66 20.680 15.646 -2.600 1.00 0.00 N ATOM 1020 CA THR A 66 20.906 15.762 -1.174 1.00 0.00 C ATOM 1021 C THR A 66 22.316 16.282 -0.928 1.00 0.00 C ATOM 1022 O THR A 66 23.229 16.002 -1.705 1.00 0.00 O ATOM 1023 CB THR A 66 20.709 14.406 -0.452 1.00 0.00 C ATOM 1024 OG1 THR A 66 20.956 14.545 0.956 1.00 0.00 O ATOM 1025 CG2 THR A 66 21.632 13.337 -1.026 1.00 0.00 C ATOM 0 H THR A 66 20.976 14.757 -3.003 1.00 0.00 H new ATOM 0 HA THR A 66 20.175 16.461 -0.768 1.00 0.00 H new ATOM 0 HB THR A 66 19.676 14.096 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.826 13.680 1.398 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.471 12.396 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.416 13.201 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.669 13.648 -0.904 1.00 0.00 H new ATOM 1033 N THR A 67 22.489 17.062 0.127 1.00 0.00 N ATOM 1034 CA THR A 67 23.801 17.570 0.472 1.00 0.00 C ATOM 1035 C THR A 67 24.698 16.428 0.933 1.00 0.00 C ATOM 1036 O THR A 67 25.836 16.316 0.489 1.00 0.00 O ATOM 1037 CB THR A 67 23.705 18.650 1.565 1.00 0.00 C ATOM 1038 OG1 THR A 67 22.829 19.698 1.127 1.00 0.00 O ATOM 1039 CG2 THR A 67 25.076 19.224 1.889 1.00 0.00 C ATOM 0 H THR A 67 21.740 17.354 0.755 1.00 0.00 H new ATOM 0 HA THR A 67 24.236 18.028 -0.416 1.00 0.00 H new ATOM 0 HB THR A 67 23.307 18.191 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 67 22.767 20.385 1.823 1.00 0.00 H new ATOM 0 HG21 THR A 67 24.978 19.984 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 67 25.730 18.427 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 67 25.504 19.673 0.992 1.00 0.00 H new ATOM 1047 N ALA A 68 24.148 15.578 1.805 1.00 0.00 N ATOM 1048 CA ALA A 68 24.839 14.389 2.306 1.00 0.00 C ATOM 1049 C ALA A 68 26.155 14.729 2.999 1.00 0.00 C ATOM 1050 O ALA A 68 27.155 15.056 2.360 1.00 0.00 O ATOM 1051 CB ALA A 68 25.067 13.390 1.181 1.00 0.00 C ATOM 0 H ALA A 68 23.208 15.697 2.184 1.00 0.00 H new ATOM 0 HA ALA A 68 24.192 13.936 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.582 12.513 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 68 24.107 13.090 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 68 25.676 13.851 0.403 1.00 0.00 H new ATOM 1057 N GLU A 69 26.155 14.614 4.317 1.00 0.00 N ATOM 1058 CA GLU A 69 27.354 14.863 5.113 1.00 0.00 C ATOM 1059 C GLU A 69 28.424 13.819 4.785 1.00 0.00 C ATOM 1060 O GLU A 69 29.615 14.021 5.026 1.00 0.00 O ATOM 1061 CB GLU A 69 26.999 14.812 6.603 1.00 0.00 C ATOM 1062 CG GLU A 69 28.145 15.192 7.527 1.00 0.00 C ATOM 1063 CD GLU A 69 28.560 16.637 7.377 1.00 0.00 C ATOM 1064 OE1 GLU A 69 27.988 17.496 8.077 1.00 0.00 O ATOM 1065 OE2 GLU A 69 29.476 16.915 6.577 1.00 0.00 O ATOM 0 H GLU A 69 25.336 14.349 4.864 1.00 0.00 H new ATOM 0 HA GLU A 69 27.748 15.851 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 69 26.159 15.482 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 69 26.664 13.805 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 69 27.850 15.008 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 69 29.001 14.549 7.321 1.00 0.00 H new ATOM 1072 N ARG A 70 27.982 12.712 4.199 1.00 0.00 N ATOM 1073 CA ARG A 70 28.862 11.599 3.872 1.00 0.00 C ATOM 1074 C ARG A 70 29.647 11.857 2.585 1.00 0.00 C ATOM 1075 O ARG A 70 30.470 11.036 2.183 1.00 0.00 O ATOM 1076 CB ARG A 70 28.053 10.304 3.749 1.00 0.00 C ATOM 1077 CG ARG A 70 27.398 9.879 5.055 1.00 0.00 C ATOM 1078 CD ARG A 70 26.635 8.570 4.908 1.00 0.00 C ATOM 1079 NE ARG A 70 25.487 8.689 4.008 1.00 0.00 N ATOM 1080 CZ ARG A 70 24.254 8.279 4.316 1.00 0.00 C ATOM 1081 NH1 ARG A 70 23.988 7.785 5.523 1.00 0.00 N ATOM 1082 NH2 ARG A 70 23.282 8.375 3.416 1.00 0.00 N ATOM 0 H ARG A 70 27.007 12.562 3.939 1.00 0.00 H new ATOM 0 HA ARG A 70 29.583 11.497 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 70 27.282 10.436 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.709 9.505 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 70 28.161 9.770 5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.716 10.661 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 70 27.309 7.800 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 70 26.291 8.241 5.889 1.00 0.00 H new ATOM 0 HE ARG A 70 25.638 9.110 3.091 1.00 0.00 H new ATOM 0 HH11 ARG A 70 24.729 7.717 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 70 23.043 7.474 5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 70 23.478 8.761 2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 70 22.339 8.063 3.648 1.00 0.00 H new ATOM 1096 N GLN A 71 29.420 13.006 1.948 1.00 0.00 N ATOM 1097 CA GLN A 71 30.155 13.346 0.731 1.00 0.00 C ATOM 1098 C GLN A 71 31.586 13.775 1.047 1.00 0.00 C ATOM 1099 O GLN A 71 32.343 14.145 0.154 1.00 0.00 O ATOM 1100 CB GLN A 71 29.453 14.444 -0.071 1.00 0.00 C ATOM 1101 CG GLN A 71 28.158 13.992 -0.726 1.00 0.00 C ATOM 1102 CD GLN A 71 27.716 14.918 -1.844 1.00 0.00 C ATOM 1103 OE1 GLN A 71 27.066 14.492 -2.800 1.00 0.00 O ATOM 1104 NE2 GLN A 71 28.061 16.195 -1.737 1.00 0.00 N ATOM 0 H GLN A 71 28.743 13.707 2.249 1.00 0.00 H new ATOM 0 HA GLN A 71 30.184 12.442 0.123 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.241 15.285 0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.132 14.808 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 71 28.288 12.985 -1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 71 27.373 13.938 0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 71 28.600 16.512 -0.931 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.787 16.860 -2.461 1.00 0.00 H new ATOM 1113 N ARG A 72 31.951 13.737 2.321 1.00 0.00 N ATOM 1114 CA ARG A 72 33.332 13.969 2.716 1.00 0.00 C ATOM 1115 C ARG A 72 34.094 12.651 2.759 1.00 0.00 C ATOM 1116 O ARG A 72 35.317 12.626 2.909 1.00 0.00 O ATOM 1117 CB ARG A 72 33.409 14.683 4.068 1.00 0.00 C ATOM 1118 CG ARG A 72 33.070 16.162 3.981 1.00 0.00 C ATOM 1119 CD ARG A 72 33.311 16.874 5.302 1.00 0.00 C ATOM 1120 NE ARG A 72 32.279 16.579 6.292 1.00 0.00 N ATOM 1121 CZ ARG A 72 32.527 16.313 7.572 1.00 0.00 C ATOM 1122 NH1 ARG A 72 33.775 16.177 8.009 1.00 0.00 N ATOM 1123 NH2 ARG A 72 31.517 16.162 8.410 1.00 0.00 N ATOM 0 H ARG A 72 31.313 13.549 3.095 1.00 0.00 H new ATOM 0 HA ARG A 72 33.795 14.618 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 72 32.726 14.200 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 72 34.414 14.570 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 72 33.673 16.628 3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 72 32.026 16.279 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 72 34.284 16.581 5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 72 33.348 17.950 5.130 1.00 0.00 H new ATOM 0 HE ARG A 72 31.307 16.577 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 72 34.556 16.277 7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 72 33.952 15.973 8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 72 30.558 16.249 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 72 31.696 15.958 9.393 1.00 0.00 H new ATOM 1137 N LEU A 73 33.363 11.552 2.610 1.00 0.00 N ATOM 1138 CA LEU A 73 33.970 10.229 2.573 1.00 0.00 C ATOM 1139 C LEU A 73 34.461 9.919 1.168 1.00 0.00 C ATOM 1140 O LEU A 73 35.589 9.460 0.980 1.00 0.00 O ATOM 1141 CB LEU A 73 32.967 9.162 3.023 1.00 0.00 C ATOM 1142 CG LEU A 73 32.423 9.331 4.444 1.00 0.00 C ATOM 1143 CD1 LEU A 73 31.365 8.279 4.736 1.00 0.00 C ATOM 1144 CD2 LEU A 73 33.546 9.245 5.466 1.00 0.00 C ATOM 0 H LEU A 73 32.348 11.552 2.513 1.00 0.00 H new ATOM 0 HA LEU A 73 34.818 10.220 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.127 9.161 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.444 8.185 2.948 1.00 0.00 H new ATOM 0 HG LEU A 73 31.966 10.318 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.989 8.413 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.543 8.383 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.803 7.286 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.136 9.368 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 73 34.034 8.273 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 73 34.275 10.032 5.273 1.00 0.00 H new ATOM 1156 N LYS A 74 33.614 10.185 0.182 1.00 0.00 N ATOM 1157 CA LYS A 74 33.954 9.936 -1.213 1.00 0.00 C ATOM 1158 C LYS A 74 33.928 11.240 -1.989 1.00 0.00 C ATOM 1159 O LYS A 74 33.034 12.062 -1.782 1.00 0.00 O ATOM 1160 CB LYS A 74 32.953 8.975 -1.856 1.00 0.00 C ATOM 1161 CG LYS A 74 32.634 7.743 -1.026 1.00 0.00 C ATOM 1162 CD LYS A 74 31.584 6.881 -1.709 1.00 0.00 C ATOM 1163 CE LYS A 74 30.342 7.690 -2.059 1.00 0.00 C ATOM 1164 NZ LYS A 74 29.310 6.870 -2.744 1.00 0.00 N ATOM 0 H LYS A 74 32.682 10.575 0.324 1.00 0.00 H new ATOM 0 HA LYS A 74 34.950 9.494 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 74 32.026 9.514 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 74 33.346 8.655 -2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 74 33.542 7.161 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.277 8.046 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 74 32.003 6.445 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 74 31.309 6.054 -1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 74 29.920 8.115 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 74 30.624 8.525 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 28.484 7.463 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 29.702 6.485 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 29.020 6.088 -2.123 1.00 0.00 H new ATOM 1178 N GLU A 75 34.887 11.426 -2.879 1.00 0.00 N ATOM 1179 CA GLU A 75 34.907 12.601 -3.736 1.00 0.00 C ATOM 1180 C GLU A 75 33.727 12.553 -4.704 1.00 0.00 C ATOM 1181 O GLU A 75 33.603 11.619 -5.499 1.00 0.00 O ATOM 1182 CB GLU A 75 36.228 12.706 -4.511 1.00 0.00 C ATOM 1183 CG GLU A 75 37.432 13.076 -3.651 1.00 0.00 C ATOM 1184 CD GLU A 75 37.931 11.934 -2.787 1.00 0.00 C ATOM 1185 OE1 GLU A 75 37.403 11.740 -1.670 1.00 0.00 O ATOM 1186 OE2 GLU A 75 38.867 11.232 -3.213 1.00 0.00 O ATOM 0 H GLU A 75 35.662 10.780 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 75 34.822 13.486 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 75 36.425 11.752 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 75 36.116 13.451 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 75 38.242 13.412 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 75 37.166 13.917 -3.010 1.00 0.00 H new ATOM 1193 N PRO A 76 32.829 13.547 -4.625 1.00 0.00 N ATOM 1194 CA PRO A 76 31.617 13.600 -5.452 1.00 0.00 C ATOM 1195 C PRO A 76 31.925 13.803 -6.933 1.00 0.00 C ATOM 1196 O PRO A 76 31.170 13.362 -7.799 1.00 0.00 O ATOM 1197 CB PRO A 76 30.848 14.808 -4.897 1.00 0.00 C ATOM 1198 CG PRO A 76 31.474 15.099 -3.579 1.00 0.00 C ATOM 1199 CD PRO A 76 32.911 14.692 -3.709 1.00 0.00 C ATOM 0 HA PRO A 76 31.059 12.665 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 76 30.925 15.665 -5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 76 29.787 14.583 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 76 31.388 16.157 -3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 76 30.981 14.544 -2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 76 33.526 15.495 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 76 33.344 14.414 -2.748 1.00 0.00 H new ATOM 1207 N GLU A 77 33.028 14.480 -7.216 1.00 0.00 N ATOM 1208 CA GLU A 77 33.445 14.727 -8.589 1.00 0.00 C ATOM 1209 C GLU A 77 34.912 14.356 -8.768 1.00 0.00 C ATOM 1210 O GLU A 77 35.434 13.537 -8.010 1.00 0.00 O ATOM 1211 CB GLU A 77 33.207 16.191 -8.968 1.00 0.00 C ATOM 1212 CG GLU A 77 31.740 16.592 -8.934 1.00 0.00 C ATOM 1213 CD GLU A 77 31.499 17.973 -9.500 1.00 0.00 C ATOM 1214 OE1 GLU A 77 31.572 18.957 -8.732 1.00 0.00 O ATOM 1215 OE2 GLU A 77 31.226 18.080 -10.715 1.00 0.00 O ATOM 0 H GLU A 77 33.653 14.870 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 77 32.847 14.103 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 77 33.767 16.831 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 77 33.602 16.369 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 77 31.156 15.865 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 77 31.382 16.558 -7.905 1.00 0.00 H new ATOM 1222 N ARG A 78 35.560 14.966 -9.770 1.00 0.00 N ATOM 1223 CA ARG A 78 36.941 14.649 -10.139 1.00 0.00 C ATOM 1224 C ARG A 78 36.978 13.304 -10.872 1.00 0.00 C ATOM 1225 O ARG A 78 35.955 12.622 -10.960 1.00 0.00 O ATOM 1226 CB ARG A 78 37.864 14.636 -8.907 1.00 0.00 C ATOM 1227 CG ARG A 78 39.347 14.695 -9.238 1.00 0.00 C ATOM 1228 CD ARG A 78 40.197 14.665 -7.980 1.00 0.00 C ATOM 1229 NE ARG A 78 39.836 15.737 -7.049 1.00 0.00 N ATOM 1230 CZ ARG A 78 39.900 15.624 -5.722 1.00 0.00 C ATOM 1231 NH1 ARG A 78 40.363 14.505 -5.168 1.00 0.00 N ATOM 1232 NH2 ARG A 78 39.519 16.635 -4.951 1.00 0.00 N ATOM 0 H ARG A 78 35.138 15.694 -10.347 1.00 0.00 H new ATOM 0 HA ARG A 78 37.312 15.427 -10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 78 37.612 15.483 -8.269 1.00 0.00 H new ATOM 0 HB3 ARG A 78 37.668 13.733 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 78 39.612 13.854 -9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 78 39.560 15.604 -9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 78 40.079 13.701 -7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 78 41.249 14.758 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 78 39.516 16.623 -7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 78 40.670 13.732 -5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 78 40.411 14.421 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 78 39.177 17.498 -5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 78 39.568 16.549 -3.936 1.00 0.00 H new ATOM 1246 N GLU A 79 38.137 12.965 -11.448 1.00 0.00 N ATOM 1247 CA GLU A 79 38.333 11.708 -12.188 1.00 0.00 C ATOM 1248 C GLU A 79 37.629 11.742 -13.546 1.00 0.00 C ATOM 1249 O GLU A 79 37.851 10.874 -14.393 1.00 0.00 O ATOM 1250 CB GLU A 79 37.860 10.492 -11.377 1.00 0.00 C ATOM 1251 CG GLU A 79 38.652 10.256 -10.103 1.00 0.00 C ATOM 1252 CD GLU A 79 40.106 9.944 -10.377 1.00 0.00 C ATOM 1253 OE1 GLU A 79 40.907 10.889 -10.488 1.00 0.00 O ATOM 1254 OE2 GLU A 79 40.456 8.748 -10.486 1.00 0.00 O ATOM 0 H GLU A 79 38.969 13.554 -11.415 1.00 0.00 H new ATOM 0 HA GLU A 79 39.405 11.607 -12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 79 36.809 10.625 -11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 79 37.925 9.602 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 79 38.586 11.140 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 79 38.205 9.431 -9.548 1.00 0.00 H new ATOM 1261 N ASN A 80 36.800 12.755 -13.760 1.00 0.00 N ATOM 1262 CA ASN A 80 36.044 12.880 -15.001 1.00 0.00 C ATOM 1263 C ASN A 80 36.886 13.547 -16.075 1.00 0.00 C ATOM 1264 O ASN A 80 36.761 13.241 -17.260 1.00 0.00 O ATOM 1265 CB ASN A 80 34.764 13.690 -14.787 1.00 0.00 C ATOM 1266 CG ASN A 80 33.810 13.038 -13.809 1.00 0.00 C ATOM 1267 OD1 ASN A 80 33.788 11.815 -13.660 1.00 0.00 O ATOM 1268 ND2 ASN A 80 33.003 13.851 -13.145 1.00 0.00 N ATOM 0 H ASN A 80 36.633 13.505 -13.089 1.00 0.00 H new ATOM 0 HA ASN A 80 35.775 11.874 -15.324 1.00 0.00 H new ATOM 0 HB2 ASN A 80 35.026 14.684 -14.424 1.00 0.00 H new ATOM 0 HB3 ASN A 80 34.260 13.823 -15.744 1.00 0.00 H new ATOM 0 HD21 ASN A 80 32.330 13.470 -12.480 1.00 0.00 H new ATOM 0 HD22 ASN A 80 33.054 14.858 -13.299 1.00 0.00 H new ATOM 1275 N ARG A 81 37.744 14.461 -15.656 1.00 0.00 N ATOM 1276 CA ARG A 81 38.578 15.194 -16.586 1.00 0.00 C ATOM 1277 C ARG A 81 40.006 14.664 -16.542 1.00 0.00 C ATOM 1278 O ARG A 81 40.492 14.246 -15.490 1.00 0.00 O ATOM 1279 CB ARG A 81 38.545 16.685 -16.255 1.00 0.00 C ATOM 1280 CG ARG A 81 39.020 17.571 -17.390 1.00 0.00 C ATOM 1281 CD ARG A 81 38.828 19.038 -17.055 1.00 0.00 C ATOM 1282 NE ARG A 81 39.058 19.901 -18.210 1.00 0.00 N ATOM 1283 CZ ARG A 81 38.532 21.118 -18.344 1.00 0.00 C ATOM 1284 NH1 ARG A 81 37.761 21.624 -17.382 1.00 0.00 N ATOM 1285 NH2 ARG A 81 38.781 21.829 -19.437 1.00 0.00 N ATOM 0 H ARG A 81 37.880 14.712 -14.677 1.00 0.00 H new ATOM 0 HA ARG A 81 38.192 15.055 -17.596 1.00 0.00 H new ATOM 0 HB2 ARG A 81 37.526 16.967 -15.988 1.00 0.00 H new ATOM 0 HB3 ARG A 81 39.167 16.868 -15.378 1.00 0.00 H new ATOM 0 HG2 ARG A 81 40.073 17.376 -17.592 1.00 0.00 H new ATOM 0 HG3 ARG A 81 38.471 17.328 -18.300 1.00 0.00 H new ATOM 0 HD2 ARG A 81 37.816 19.195 -16.682 1.00 0.00 H new ATOM 0 HD3 ARG A 81 39.510 19.318 -16.252 1.00 0.00 H new ATOM 0 HE ARG A 81 39.657 19.552 -18.958 1.00 0.00 H new ATOM 0 HH11 ARG A 81 37.572 21.079 -16.540 1.00 0.00 H new ATOM 0 HH12 ARG A 81 37.360 22.556 -17.487 1.00 0.00 H new ATOM 0 HH21 ARG A 81 39.374 21.444 -20.172 1.00 0.00 H new ATOM 0 HH22 ARG A 81 38.379 22.761 -19.542 1.00 0.00 H new ATOM 1299 N GLU A 82 40.667 14.683 -17.686 1.00 0.00 N ATOM 1300 CA GLU A 82 42.025 14.187 -17.804 1.00 0.00 C ATOM 1301 C GLU A 82 42.846 15.182 -18.616 1.00 0.00 C ATOM 1302 O GLU A 82 42.329 16.223 -19.031 1.00 0.00 O ATOM 1303 CB GLU A 82 42.009 12.820 -18.498 1.00 0.00 C ATOM 1304 CG GLU A 82 42.845 11.752 -17.807 1.00 0.00 C ATOM 1305 CD GLU A 82 44.316 12.095 -17.734 1.00 0.00 C ATOM 1306 OE1 GLU A 82 44.948 12.256 -18.799 1.00 0.00 O ATOM 1307 OE2 GLU A 82 44.846 12.217 -16.615 1.00 0.00 O ATOM 0 H GLU A 82 40.277 15.042 -18.558 1.00 0.00 H new ATOM 0 HA GLU A 82 42.471 14.074 -16.816 1.00 0.00 H new ATOM 0 HB2 GLU A 82 40.978 12.471 -18.563 1.00 0.00 H new ATOM 0 HB3 GLU A 82 42.369 12.941 -19.520 1.00 0.00 H new ATOM 0 HG2 GLU A 82 42.464 11.600 -16.797 1.00 0.00 H new ATOM 0 HG3 GLU A 82 42.726 10.808 -18.338 1.00 0.00 H new ATOM 1314 N LEU A 83 44.117 14.877 -18.832 1.00 0.00 N ATOM 1315 CA LEU A 83 44.951 15.673 -19.713 1.00 0.00 C ATOM 1316 C LEU A 83 44.611 15.320 -21.150 1.00 0.00 C ATOM 1317 O LEU A 83 44.540 16.186 -22.023 1.00 0.00 O ATOM 1318 CB LEU A 83 46.436 15.423 -19.436 1.00 0.00 C ATOM 1319 CG LEU A 83 46.917 15.846 -18.046 1.00 0.00 C ATOM 1320 CD1 LEU A 83 48.388 15.506 -17.863 1.00 0.00 C ATOM 1321 CD2 LEU A 83 46.679 17.336 -17.831 1.00 0.00 C ATOM 0 H LEU A 83 44.592 14.081 -18.407 1.00 0.00 H new ATOM 0 HA LEU A 83 44.759 16.731 -19.536 1.00 0.00 H new ATOM 0 HB2 LEU A 83 46.640 14.360 -19.566 1.00 0.00 H new ATOM 0 HB3 LEU A 83 47.024 15.955 -20.184 1.00 0.00 H new ATOM 0 HG LEU A 83 46.344 15.295 -17.300 1.00 0.00 H new ATOM 0 HD11 LEU A 83 48.712 15.814 -16.869 1.00 0.00 H new ATOM 0 HD12 LEU A 83 48.529 14.431 -17.974 1.00 0.00 H new ATOM 0 HD13 LEU A 83 48.979 16.029 -18.615 1.00 0.00 H new ATOM 0 HD21 LEU A 83 47.027 17.620 -16.838 1.00 0.00 H new ATOM 0 HD22 LEU A 83 47.226 17.904 -18.583 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.614 17.551 -17.918 1.00 0.00 H new ATOM 1333 N ARG A 84 44.387 14.033 -21.378 1.00 0.00 N ATOM 1334 CA ARG A 84 43.907 13.563 -22.666 1.00 0.00 C ATOM 1335 C ARG A 84 42.396 13.753 -22.740 1.00 0.00 C ATOM 1336 O ARG A 84 41.726 13.770 -21.706 1.00 0.00 O ATOM 1337 CB ARG A 84 44.319 12.098 -22.901 1.00 0.00 C ATOM 1338 CG ARG A 84 44.059 11.159 -21.727 1.00 0.00 C ATOM 1339 CD ARG A 84 42.601 10.738 -21.632 1.00 0.00 C ATOM 1340 NE ARG A 84 42.184 9.910 -22.764 1.00 0.00 N ATOM 1341 CZ ARG A 84 41.100 9.135 -22.756 1.00 0.00 C ATOM 1342 NH1 ARG A 84 40.311 9.109 -21.687 1.00 0.00 N ATOM 1343 NH2 ARG A 84 40.792 8.400 -23.817 1.00 0.00 N ATOM 0 H ARG A 84 44.531 13.297 -20.686 1.00 0.00 H new ATOM 0 HA ARG A 84 44.364 14.149 -23.464 1.00 0.00 H new ATOM 0 HB2 ARG A 84 43.785 11.721 -23.773 1.00 0.00 H new ATOM 0 HB3 ARG A 84 45.382 12.069 -23.141 1.00 0.00 H new ATOM 0 HG2 ARG A 84 44.684 10.272 -21.830 1.00 0.00 H new ATOM 0 HG3 ARG A 84 44.353 11.651 -20.800 1.00 0.00 H new ATOM 0 HD2 ARG A 84 42.445 10.186 -20.705 1.00 0.00 H new ATOM 0 HD3 ARG A 84 41.972 11.627 -21.584 1.00 0.00 H new ATOM 0 HE ARG A 84 42.756 9.927 -23.608 1.00 0.00 H new ATOM 0 HH11 ARG A 84 40.535 9.682 -20.874 1.00 0.00 H new ATOM 0 HH12 ARG A 84 39.481 8.516 -21.680 1.00 0.00 H new ATOM 0 HH21 ARG A 84 41.386 8.426 -24.645 1.00 0.00 H new ATOM 0 HH22 ARG A 84 39.961 7.809 -23.804 1.00 0.00 H new ATOM 1357 N ARG A 85 41.881 13.895 -23.958 1.00 0.00 N ATOM 1358 CA ARG A 85 40.489 14.285 -24.188 1.00 0.00 C ATOM 1359 C ARG A 85 40.267 15.722 -23.718 1.00 0.00 C ATOM 1360 O ARG A 85 40.003 15.985 -22.541 1.00 0.00 O ATOM 1361 CB ARG A 85 39.491 13.338 -23.506 1.00 0.00 C ATOM 1362 CG ARG A 85 38.045 13.743 -23.736 1.00 0.00 C ATOM 1363 CD ARG A 85 37.074 12.919 -22.911 1.00 0.00 C ATOM 1364 NE ARG A 85 35.702 13.392 -23.088 1.00 0.00 N ATOM 1365 CZ ARG A 85 34.636 12.848 -22.504 1.00 0.00 C ATOM 1366 NH1 ARG A 85 34.776 11.813 -21.687 1.00 0.00 N ATOM 1367 NH2 ARG A 85 33.429 13.347 -22.733 1.00 0.00 N ATOM 0 H ARG A 85 42.414 13.744 -24.814 1.00 0.00 H new ATOM 0 HA ARG A 85 40.305 14.217 -25.260 1.00 0.00 H new ATOM 0 HB2 ARG A 85 39.644 12.326 -23.880 1.00 0.00 H new ATOM 0 HB3 ARG A 85 39.692 13.316 -22.435 1.00 0.00 H new ATOM 0 HG2 ARG A 85 37.923 14.798 -23.489 1.00 0.00 H new ATOM 0 HG3 ARG A 85 37.804 13.633 -24.793 1.00 0.00 H new ATOM 0 HD2 ARG A 85 37.142 11.871 -23.203 1.00 0.00 H new ATOM 0 HD3 ARG A 85 37.348 12.975 -21.858 1.00 0.00 H new ATOM 0 HE ARG A 85 35.551 14.193 -23.701 1.00 0.00 H new ATOM 0 HH11 ARG A 85 35.703 11.430 -21.503 1.00 0.00 H new ATOM 0 HH12 ARG A 85 33.956 11.400 -21.242 1.00 0.00 H new ATOM 0 HH21 ARG A 85 33.318 14.147 -23.356 1.00 0.00 H new ATOM 0 HH22 ARG A 85 32.612 12.931 -22.286 1.00 0.00 H new ATOM 1381 N SER A 86 40.399 16.654 -24.642 1.00 0.00 N ATOM 1382 CA SER A 86 40.259 18.059 -24.319 1.00 0.00 C ATOM 1383 C SER A 86 39.464 18.774 -25.406 1.00 0.00 C ATOM 1384 O SER A 86 39.241 18.224 -26.486 1.00 0.00 O ATOM 1385 CB SER A 86 41.645 18.681 -24.155 1.00 0.00 C ATOM 1386 OG SER A 86 41.565 20.032 -23.733 1.00 0.00 O ATOM 0 H SER A 86 40.603 16.463 -25.623 1.00 0.00 H new ATOM 0 HA SER A 86 39.713 18.165 -23.381 1.00 0.00 H new ATOM 0 HB2 SER A 86 42.219 18.106 -23.428 1.00 0.00 H new ATOM 0 HB3 SER A 86 42.183 18.626 -25.101 1.00 0.00 H new ATOM 0 HG SER A 86 42.385 20.504 -23.989 1.00 0.00 H new ATOM 1392 N ASN A 87 39.031 19.996 -25.122 1.00 0.00 N ATOM 1393 CA ASN A 87 38.221 20.746 -26.070 1.00 0.00 C ATOM 1394 C ASN A 87 39.005 21.932 -26.626 1.00 0.00 C ATOM 1395 O ASN A 87 38.435 22.916 -27.101 1.00 0.00 O ATOM 1396 CB ASN A 87 36.923 21.205 -25.401 1.00 0.00 C ATOM 1397 CG ASN A 87 35.862 21.585 -26.412 1.00 0.00 C ATOM 1398 OD1 ASN A 87 35.848 21.075 -27.533 1.00 0.00 O ATOM 1399 ND2 ASN A 87 34.949 22.455 -26.014 1.00 0.00 N ATOM 0 H ASN A 87 39.226 20.485 -24.248 1.00 0.00 H new ATOM 0 HA ASN A 87 37.964 20.097 -26.907 1.00 0.00 H new ATOM 0 HB2 ASN A 87 36.544 20.408 -24.762 1.00 0.00 H new ATOM 0 HB3 ASN A 87 37.131 22.059 -24.756 1.00 0.00 H new ATOM 0 HD21 ASN A 87 34.195 22.728 -26.645 1.00 0.00 H new ATOM 0 HD22 ASN A 87 34.999 22.853 -25.076 1.00 0.00 H new ATOM 1406 N ASP A 88 40.324 21.830 -26.573 1.00 0.00 N ATOM 1407 CA ASP A 88 41.180 22.821 -27.207 1.00 0.00 C ATOM 1408 C ASP A 88 41.534 22.354 -28.613 1.00 0.00 C ATOM 1409 O ASP A 88 41.368 21.175 -28.938 1.00 0.00 O ATOM 1410 CB ASP A 88 42.448 23.100 -26.384 1.00 0.00 C ATOM 1411 CG ASP A 88 43.398 21.922 -26.311 1.00 0.00 C ATOM 1412 OD1 ASP A 88 43.222 21.067 -25.418 1.00 0.00 O ATOM 1413 OD2 ASP A 88 44.337 21.858 -27.129 1.00 0.00 O ATOM 0 H ASP A 88 40.823 21.076 -26.101 1.00 0.00 H new ATOM 0 HA ASP A 88 40.633 23.762 -27.263 1.00 0.00 H new ATOM 0 HB2 ASP A 88 42.972 23.952 -26.818 1.00 0.00 H new ATOM 0 HB3 ASP A 88 42.159 23.385 -25.373 1.00 0.00 H new ATOM 1418 N ILE A 89 42.013 23.283 -29.433 1.00 0.00 N ATOM 1419 CA ILE A 89 42.233 23.039 -30.856 1.00 0.00 C ATOM 1420 C ILE A 89 40.895 22.801 -31.552 1.00 0.00 C ATOM 1421 O ILE A 89 40.463 21.660 -31.750 1.00 0.00 O ATOM 1422 CB ILE A 89 43.186 21.849 -31.134 1.00 0.00 C ATOM 1423 CG1 ILE A 89 44.537 22.073 -30.451 1.00 0.00 C ATOM 1424 CG2 ILE A 89 43.379 21.660 -32.635 1.00 0.00 C ATOM 1425 CD1 ILE A 89 45.517 20.937 -30.662 1.00 0.00 C ATOM 0 H ILE A 89 42.260 24.226 -29.132 1.00 0.00 H new ATOM 0 HA ILE A 89 42.718 23.930 -31.255 1.00 0.00 H new ATOM 0 HB ILE A 89 42.735 20.945 -30.724 1.00 0.00 H new ATOM 0 HG12 ILE A 89 44.977 22.996 -30.828 1.00 0.00 H new ATOM 0 HG13 ILE A 89 44.376 22.210 -29.382 1.00 0.00 H new ATOM 0 HG21 ILE A 89 44.051 20.820 -32.813 1.00 0.00 H new ATOM 0 HG22 ILE A 89 42.415 21.459 -33.103 1.00 0.00 H new ATOM 0 HG23 ILE A 89 43.809 22.565 -33.063 1.00 0.00 H new ATOM 0 HD11 ILE A 89 46.452 21.164 -30.150 1.00 0.00 H new ATOM 0 HD12 ILE A 89 45.097 20.015 -30.260 1.00 0.00 H new ATOM 0 HD13 ILE A 89 45.707 20.814 -31.728 1.00 0.00 H new ATOM 1437 N LEU A 90 40.216 23.889 -31.870 1.00 0.00 N ATOM 1438 CA LEU A 90 38.944 23.814 -32.560 1.00 0.00 C ATOM 1439 C LEU A 90 39.159 23.840 -34.065 1.00 0.00 C ATOM 1440 O LEU A 90 39.854 24.710 -34.586 1.00 0.00 O ATOM 1441 CB LEU A 90 38.030 24.964 -32.130 1.00 0.00 C ATOM 1442 CG LEU A 90 37.651 24.974 -30.646 1.00 0.00 C ATOM 1443 CD1 LEU A 90 36.800 26.194 -30.322 1.00 0.00 C ATOM 1444 CD2 LEU A 90 36.917 23.692 -30.273 1.00 0.00 C ATOM 0 H LEU A 90 40.527 24.837 -31.660 1.00 0.00 H new ATOM 0 HA LEU A 90 38.460 22.874 -32.293 1.00 0.00 H new ATOM 0 HB2 LEU A 90 38.521 25.907 -32.370 1.00 0.00 H new ATOM 0 HB3 LEU A 90 37.116 24.922 -32.722 1.00 0.00 H new ATOM 0 HG LEU A 90 38.566 25.028 -30.056 1.00 0.00 H new ATOM 0 HD11 LEU A 90 36.540 26.185 -29.264 1.00 0.00 H new ATOM 0 HD12 LEU A 90 37.361 27.100 -30.550 1.00 0.00 H new ATOM 0 HD13 LEU A 90 35.889 26.171 -30.920 1.00 0.00 H new ATOM 0 HD21 LEU A 90 36.656 23.717 -29.215 1.00 0.00 H new ATOM 0 HD22 LEU A 90 36.009 23.606 -30.869 1.00 0.00 H new ATOM 0 HD23 LEU A 90 37.561 22.834 -30.468 1.00 0.00 H new ATOM 1456 N ARG A 91 38.579 22.871 -34.756 1.00 0.00 N ATOM 1457 CA ARG A 91 38.705 22.787 -36.205 1.00 0.00 C ATOM 1458 C ARG A 91 37.467 23.364 -36.881 1.00 0.00 C ATOM 1459 O ARG A 91 37.220 23.127 -38.062 1.00 0.00 O ATOM 1460 CB ARG A 91 38.917 21.335 -36.638 1.00 0.00 C ATOM 1461 CG ARG A 91 40.079 20.657 -35.928 1.00 0.00 C ATOM 1462 CD ARG A 91 40.357 19.280 -36.500 1.00 0.00 C ATOM 1463 NE ARG A 91 40.899 19.347 -37.857 1.00 0.00 N ATOM 1464 CZ ARG A 91 40.597 18.486 -38.826 1.00 0.00 C ATOM 1465 NH1 ARG A 91 39.704 17.524 -38.617 1.00 0.00 N ATOM 1466 NH2 ARG A 91 41.175 18.606 -40.014 1.00 0.00 N ATOM 0 H ARG A 91 38.016 22.131 -34.338 1.00 0.00 H new ATOM 0 HA ARG A 91 39.572 23.372 -36.511 1.00 0.00 H new ATOM 0 HB2 ARG A 91 38.005 20.770 -36.447 1.00 0.00 H new ATOM 0 HB3 ARG A 91 39.091 21.306 -37.714 1.00 0.00 H new ATOM 0 HG2 ARG A 91 40.972 21.276 -36.018 1.00 0.00 H new ATOM 0 HG3 ARG A 91 39.856 20.571 -34.864 1.00 0.00 H new ATOM 0 HD2 ARG A 91 41.061 18.755 -35.854 1.00 0.00 H new ATOM 0 HD3 ARG A 91 39.436 18.698 -36.506 1.00 0.00 H new ATOM 0 HE ARG A 91 41.550 20.102 -38.075 1.00 0.00 H new ATOM 0 HH11 ARG A 91 39.245 17.442 -37.710 1.00 0.00 H new ATOM 0 HH12 ARG A 91 39.477 16.868 -39.364 1.00 0.00 H new ATOM 0 HH21 ARG A 91 41.847 19.355 -40.181 1.00 0.00 H new ATOM 0 HH22 ARG A 91 40.948 17.949 -40.760 1.00 0.00 H new ATOM 1480 N LEU A 92 36.695 24.123 -36.115 1.00 0.00 N ATOM 1481 CA LEU A 92 35.503 24.779 -36.631 1.00 0.00 C ATOM 1482 C LEU A 92 35.665 26.293 -36.539 1.00 0.00 C ATOM 1483 O LEU A 92 35.967 26.828 -35.471 1.00 0.00 O ATOM 1484 CB LEU A 92 34.260 24.332 -35.850 1.00 0.00 C ATOM 1485 CG LEU A 92 33.949 22.836 -35.924 1.00 0.00 C ATOM 1486 CD1 LEU A 92 32.737 22.501 -35.069 1.00 0.00 C ATOM 1487 CD2 LEU A 92 33.713 22.407 -37.366 1.00 0.00 C ATOM 0 H LEU A 92 36.876 24.300 -35.127 1.00 0.00 H new ATOM 0 HA LEU A 92 35.373 24.496 -37.675 1.00 0.00 H new ATOM 0 HB2 LEU A 92 34.389 24.609 -34.804 1.00 0.00 H new ATOM 0 HB3 LEU A 92 33.398 24.885 -36.222 1.00 0.00 H new ATOM 0 HG LEU A 92 34.809 22.289 -35.538 1.00 0.00 H new ATOM 0 HD11 LEU A 92 32.530 21.433 -35.134 1.00 0.00 H new ATOM 0 HD12 LEU A 92 32.938 22.770 -34.032 1.00 0.00 H new ATOM 0 HD13 LEU A 92 31.873 23.060 -35.428 1.00 0.00 H new ATOM 0 HD21 LEU A 92 33.493 21.340 -37.397 1.00 0.00 H new ATOM 0 HD22 LEU A 92 32.871 22.963 -37.778 1.00 0.00 H new ATOM 0 HD23 LEU A 92 34.606 22.611 -37.957 1.00 0.00 H new ATOM 1499 N ALA A 93 35.482 26.977 -37.659 1.00 0.00 N ATOM 1500 CA ALA A 93 35.654 28.423 -37.713 1.00 0.00 C ATOM 1501 C ALA A 93 34.908 29.012 -38.902 1.00 0.00 C ATOM 1502 O ALA A 93 35.350 29.995 -39.499 1.00 0.00 O ATOM 1503 CB ALA A 93 37.132 28.773 -37.798 1.00 0.00 C ATOM 0 H ALA A 93 35.213 26.552 -38.547 1.00 0.00 H new ATOM 0 HA ALA A 93 35.239 28.851 -36.800 1.00 0.00 H new ATOM 0 HB1 ALA A 93 37.248 29.856 -37.838 1.00 0.00 H new ATOM 0 HB2 ALA A 93 37.649 28.385 -36.920 1.00 0.00 H new ATOM 0 HB3 ALA A 93 37.560 28.329 -38.697 1.00 0.00 H new ATOM 1509 N SER A 94 33.773 28.404 -39.232 1.00 0.00 N ATOM 1510 CA SER A 94 32.954 28.840 -40.358 1.00 0.00 C ATOM 1511 C SER A 94 32.611 30.324 -40.263 1.00 0.00 C ATOM 1512 O SER A 94 33.177 31.151 -40.983 1.00 0.00 O ATOM 1513 CB SER A 94 31.668 28.017 -40.415 1.00 0.00 C ATOM 1514 OG SER A 94 31.950 26.630 -40.477 1.00 0.00 O ATOM 0 H SER A 94 33.397 27.600 -38.730 1.00 0.00 H new ATOM 0 HA SER A 94 33.532 28.686 -41.269 1.00 0.00 H new ATOM 0 HB2 SER A 94 31.059 28.228 -39.536 1.00 0.00 H new ATOM 0 HB3 SER A 94 31.083 28.311 -41.286 1.00 0.00 H new ATOM 0 HG SER A 94 31.110 26.127 -40.511 1.00 0.00 H new ATOM 1520 N ALA A 95 31.689 30.657 -39.367 1.00 0.00 N ATOM 1521 CA ALA A 95 31.261 32.035 -39.191 1.00 0.00 C ATOM 1522 C ALA A 95 30.436 32.184 -37.923 1.00 0.00 C ATOM 1523 O ALA A 95 29.819 31.222 -37.454 1.00 0.00 O ATOM 1524 CB ALA A 95 30.454 32.503 -40.397 1.00 0.00 C ATOM 0 H ALA A 95 31.225 29.989 -38.752 1.00 0.00 H new ATOM 0 HA ALA A 95 32.152 32.657 -39.102 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.142 33.537 -40.247 1.00 0.00 H new ATOM 0 HB2 ALA A 95 31.069 32.436 -41.295 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.573 31.871 -40.513 1.00 0.00 H new ATOM 1530 N TYR A 96 30.441 33.385 -37.368 1.00 0.00 N ATOM 1531 CA TYR A 96 29.616 33.710 -36.217 1.00 0.00 C ATOM 1532 C TYR A 96 29.147 35.154 -36.347 1.00 0.00 C ATOM 1533 O TYR A 96 29.933 36.089 -36.191 1.00 0.00 O ATOM 1534 CB TYR A 96 30.398 33.512 -34.916 1.00 0.00 C ATOM 1535 CG TYR A 96 29.524 33.282 -33.704 1.00 0.00 C ATOM 1536 CD1 TYR A 96 28.995 32.025 -33.444 1.00 0.00 C ATOM 1537 CD2 TYR A 96 29.227 34.313 -32.821 1.00 0.00 C ATOM 1538 CE1 TYR A 96 28.201 31.800 -32.339 1.00 0.00 C ATOM 1539 CE2 TYR A 96 28.434 34.094 -31.710 1.00 0.00 C ATOM 1540 CZ TYR A 96 27.923 32.835 -31.477 1.00 0.00 C ATOM 1541 OH TYR A 96 27.136 32.604 -30.369 1.00 0.00 O ATOM 0 H TYR A 96 31.015 34.159 -37.702 1.00 0.00 H new ATOM 0 HA TYR A 96 28.753 33.045 -36.186 1.00 0.00 H new ATOM 0 HB2 TYR A 96 31.070 32.662 -35.034 1.00 0.00 H new ATOM 0 HB3 TYR A 96 31.021 34.389 -34.741 1.00 0.00 H new ATOM 0 HD1 TYR A 96 29.209 31.209 -34.119 1.00 0.00 H new ATOM 0 HD2 TYR A 96 29.622 35.301 -33.006 1.00 0.00 H new ATOM 0 HE1 TYR A 96 27.799 30.815 -32.151 1.00 0.00 H new ATOM 0 HE2 TYR A 96 28.216 34.904 -31.029 1.00 0.00 H new ATOM 0 HH TYR A 96 27.034 33.436 -29.861 1.00 0.00 H new ATOM 1551 N PHE A 97 27.872 35.328 -36.659 1.00 0.00 N ATOM 1552 CA PHE A 97 27.336 36.650 -36.962 1.00 0.00 C ATOM 1553 C PHE A 97 26.794 37.333 -35.713 1.00 0.00 C ATOM 1554 O PHE A 97 26.495 38.531 -35.732 1.00 0.00 O ATOM 1555 CB PHE A 97 26.240 36.550 -38.029 1.00 0.00 C ATOM 1556 CG PHE A 97 25.076 35.679 -37.643 1.00 0.00 C ATOM 1557 CD1 PHE A 97 23.980 36.212 -36.983 1.00 0.00 C ATOM 1558 CD2 PHE A 97 25.076 34.325 -37.945 1.00 0.00 C ATOM 1559 CE1 PHE A 97 22.910 35.415 -36.631 1.00 0.00 C ATOM 1560 CE2 PHE A 97 24.007 33.523 -37.594 1.00 0.00 C ATOM 1561 CZ PHE A 97 22.923 34.070 -36.936 1.00 0.00 C ATOM 0 H PHE A 97 27.188 34.573 -36.710 1.00 0.00 H new ATOM 0 HA PHE A 97 28.154 37.259 -37.348 1.00 0.00 H new ATOM 0 HB2 PHE A 97 25.871 37.552 -38.249 1.00 0.00 H new ATOM 0 HB3 PHE A 97 26.679 36.163 -38.948 1.00 0.00 H new ATOM 0 HD1 PHE A 97 23.963 37.264 -36.741 1.00 0.00 H new ATOM 0 HD2 PHE A 97 25.921 33.893 -38.460 1.00 0.00 H new ATOM 0 HE1 PHE A 97 22.063 35.844 -36.117 1.00 0.00 H new ATOM 0 HE2 PHE A 97 24.019 32.470 -37.834 1.00 0.00 H new ATOM 0 HZ PHE A 97 22.086 33.445 -36.661 1.00 0.00 H new ATOM 1571 N ALA A 98 26.656 36.573 -34.637 1.00 0.00 N ATOM 1572 CA ALA A 98 26.153 37.116 -33.387 1.00 0.00 C ATOM 1573 C ALA A 98 27.274 37.765 -32.591 1.00 0.00 C ATOM 1574 O ALA A 98 28.454 37.566 -32.883 1.00 0.00 O ATOM 1575 CB ALA A 98 25.478 36.030 -32.566 1.00 0.00 C ATOM 0 H ALA A 98 26.885 35.580 -34.606 1.00 0.00 H new ATOM 0 HA ALA A 98 25.413 37.881 -33.622 1.00 0.00 H new ATOM 0 HB1 ALA A 98 25.108 36.456 -31.633 1.00 0.00 H new ATOM 0 HB2 ALA A 98 24.644 35.612 -33.130 1.00 0.00 H new ATOM 0 HB3 ALA A 98 26.197 35.241 -32.344 1.00 0.00 H new ATOM 1581 N LYS A 99 26.897 38.552 -31.594 1.00 0.00 N ATOM 1582 CA LYS A 99 27.867 39.216 -30.736 1.00 0.00 C ATOM 1583 C LYS A 99 28.581 38.208 -29.839 1.00 0.00 C ATOM 1584 O LYS A 99 27.960 37.566 -28.989 1.00 0.00 O ATOM 1585 CB LYS A 99 27.174 40.285 -29.889 1.00 0.00 C ATOM 1586 CG LYS A 99 26.620 41.434 -30.712 1.00 0.00 C ATOM 1587 CD LYS A 99 25.815 42.403 -29.863 1.00 0.00 C ATOM 1588 CE LYS A 99 25.398 43.629 -30.662 1.00 0.00 C ATOM 1589 NZ LYS A 99 24.657 43.266 -31.899 1.00 0.00 N ATOM 0 H LYS A 99 25.924 38.747 -31.359 1.00 0.00 H new ATOM 0 HA LYS A 99 28.614 39.695 -31.369 1.00 0.00 H new ATOM 0 HB2 LYS A 99 26.361 39.824 -29.327 1.00 0.00 H new ATOM 0 HB3 LYS A 99 27.883 40.678 -29.160 1.00 0.00 H new ATOM 0 HG2 LYS A 99 27.442 41.967 -31.191 1.00 0.00 H new ATOM 0 HG3 LYS A 99 25.989 41.039 -31.509 1.00 0.00 H new ATOM 0 HD2 LYS A 99 24.928 41.900 -29.476 1.00 0.00 H new ATOM 0 HD3 LYS A 99 26.407 42.713 -29.002 1.00 0.00 H new ATOM 0 HE2 LYS A 99 24.773 44.270 -30.041 1.00 0.00 H new ATOM 0 HE3 LYS A 99 26.284 44.207 -30.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 24.262 44.125 -32.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 25.306 42.807 -32.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 23.885 42.611 -31.662 1.00 0.00 H new ATOM 1603 N ALA A 100 29.882 38.070 -30.044 1.00 0.00 N ATOM 1604 CA ALA A 100 30.691 37.143 -29.270 1.00 0.00 C ATOM 1605 C ALA A 100 31.924 37.848 -28.714 1.00 0.00 C ATOM 1606 O ALA A 100 31.930 39.069 -28.545 1.00 0.00 O ATOM 1607 CB ALA A 100 31.099 35.960 -30.135 1.00 0.00 C ATOM 0 H ALA A 100 30.403 38.594 -30.747 1.00 0.00 H new ATOM 0 HA ALA A 100 30.099 36.776 -28.432 1.00 0.00 H new ATOM 0 HB1 ALA A 100 31.705 35.271 -29.547 1.00 0.00 H new ATOM 0 HB2 ALA A 100 30.207 35.445 -30.492 1.00 0.00 H new ATOM 0 HB3 ALA A 100 31.678 36.315 -30.987 1.00 0.00 H new ATOM 1613 N GLU A 101 32.957 37.073 -28.411 1.00 0.00 N ATOM 1614 CA GLU A 101 34.206 37.624 -27.909 1.00 0.00 C ATOM 1615 C GLU A 101 34.949 38.355 -29.020 1.00 0.00 C ATOM 1616 O GLU A 101 35.322 37.756 -30.031 1.00 0.00 O ATOM 1617 CB GLU A 101 35.087 36.515 -27.330 1.00 0.00 C ATOM 1618 CG GLU A 101 34.447 35.778 -26.166 1.00 0.00 C ATOM 1619 CD GLU A 101 34.048 36.710 -25.044 1.00 0.00 C ATOM 1620 OE1 GLU A 101 34.932 37.124 -24.266 1.00 0.00 O ATOM 1621 OE2 GLU A 101 32.847 37.042 -24.939 1.00 0.00 O ATOM 0 H GLU A 101 32.953 36.057 -28.505 1.00 0.00 H new ATOM 0 HA GLU A 101 33.973 38.335 -27.116 1.00 0.00 H new ATOM 0 HB2 GLU A 101 35.321 35.799 -28.118 1.00 0.00 H new ATOM 0 HB3 GLU A 101 36.032 36.947 -27.001 1.00 0.00 H new ATOM 0 HG2 GLU A 101 33.567 35.241 -26.519 1.00 0.00 H new ATOM 0 HG3 GLU A 101 35.144 35.032 -25.785 1.00 0.00 H new ATOM 1628 N PHE A 102 35.154 39.649 -28.831 1.00 0.00 N ATOM 1629 CA PHE A 102 35.850 40.456 -29.817 1.00 0.00 C ATOM 1630 C PHE A 102 37.351 40.363 -29.592 1.00 0.00 C ATOM 1631 O PHE A 102 37.890 40.975 -28.668 1.00 0.00 O ATOM 1632 CB PHE A 102 35.386 41.914 -29.746 1.00 0.00 C ATOM 1633 CG PHE A 102 35.984 42.790 -30.810 1.00 0.00 C ATOM 1634 CD1 PHE A 102 35.492 42.756 -32.105 1.00 0.00 C ATOM 1635 CD2 PHE A 102 37.032 43.645 -30.515 1.00 0.00 C ATOM 1636 CE1 PHE A 102 36.037 43.562 -33.087 1.00 0.00 C ATOM 1637 CE2 PHE A 102 37.580 44.454 -31.492 1.00 0.00 C ATOM 1638 CZ PHE A 102 37.083 44.411 -32.780 1.00 0.00 C ATOM 0 H PHE A 102 34.848 40.161 -28.004 1.00 0.00 H new ATOM 0 HA PHE A 102 35.617 40.075 -30.811 1.00 0.00 H new ATOM 0 HB2 PHE A 102 34.300 41.945 -29.830 1.00 0.00 H new ATOM 0 HB3 PHE A 102 35.641 42.320 -28.767 1.00 0.00 H new ATOM 0 HD1 PHE A 102 34.675 42.093 -32.349 1.00 0.00 H new ATOM 0 HD2 PHE A 102 37.426 43.680 -29.510 1.00 0.00 H new ATOM 0 HE1 PHE A 102 35.646 43.528 -34.093 1.00 0.00 H new ATOM 0 HE2 PHE A 102 38.396 45.119 -31.249 1.00 0.00 H new ATOM 0 HZ PHE A 102 37.511 45.040 -33.546 1.00 0.00 H new ATOM 1648 N ASP A 103 38.013 39.570 -30.418 1.00 0.00 N ATOM 1649 CA ASP A 103 39.452 39.381 -30.313 1.00 0.00 C ATOM 1650 C ASP A 103 40.047 39.191 -31.701 1.00 0.00 C ATOM 1651 O ASP A 103 39.361 38.723 -32.612 1.00 0.00 O ATOM 1652 CB ASP A 103 39.771 38.174 -29.417 1.00 0.00 C ATOM 1653 CG ASP A 103 41.249 38.047 -29.111 1.00 0.00 C ATOM 1654 OD1 ASP A 103 41.822 38.985 -28.521 1.00 0.00 O ATOM 1655 OD2 ASP A 103 41.849 37.009 -29.456 1.00 0.00 O ATOM 0 H ASP A 103 37.574 39.043 -31.173 1.00 0.00 H new ATOM 0 HA ASP A 103 39.895 40.267 -29.858 1.00 0.00 H new ATOM 0 HB2 ASP A 103 39.217 38.264 -28.482 1.00 0.00 H new ATOM 0 HB3 ASP A 103 39.426 37.263 -29.906 1.00 0.00 H new ATOM 1660 N ARG A 104 41.307 39.578 -31.870 1.00 0.00 N ATOM 1661 CA ARG A 104 41.966 39.499 -33.167 1.00 0.00 C ATOM 1662 C ARG A 104 42.277 38.053 -33.538 1.00 0.00 C ATOM 1663 O ARG A 104 42.904 37.321 -32.767 1.00 0.00 O ATOM 1664 CB ARG A 104 43.260 40.315 -33.161 1.00 0.00 C ATOM 1665 CG ARG A 104 43.981 40.318 -34.496 1.00 0.00 C ATOM 1666 CD ARG A 104 45.362 40.937 -34.379 1.00 0.00 C ATOM 1667 NE ARG A 104 46.215 40.190 -33.455 1.00 0.00 N ATOM 1668 CZ ARG A 104 47.541 40.279 -33.426 1.00 0.00 C ATOM 1669 NH1 ARG A 104 48.182 41.066 -34.283 1.00 0.00 N ATOM 1670 NH2 ARG A 104 48.222 39.575 -32.536 1.00 0.00 N ATOM 0 H ARG A 104 41.893 39.950 -31.123 1.00 0.00 H new ATOM 0 HA ARG A 104 41.284 39.911 -33.910 1.00 0.00 H new ATOM 0 HB2 ARG A 104 43.031 41.343 -32.879 1.00 0.00 H new ATOM 0 HB3 ARG A 104 43.928 39.916 -32.397 1.00 0.00 H new ATOM 0 HG2 ARG A 104 44.069 39.296 -34.866 1.00 0.00 H new ATOM 0 HG3 ARG A 104 43.393 40.872 -35.227 1.00 0.00 H new ATOM 0 HD2 ARG A 104 45.831 40.968 -35.362 1.00 0.00 H new ATOM 0 HD3 ARG A 104 45.271 41.968 -34.037 1.00 0.00 H new ATOM 0 HE ARG A 104 45.764 39.561 -32.791 1.00 0.00 H new ATOM 0 HH11 ARG A 104 47.657 41.607 -34.969 1.00 0.00 H new ATOM 0 HH12 ARG A 104 49.200 41.129 -34.255 1.00 0.00 H new ATOM 0 HH21 ARG A 104 47.729 38.970 -31.879 1.00 0.00 H new ATOM 0 HH22 ARG A 104 49.240 39.637 -32.507 1.00 0.00 H new ATOM 1684 N LEU A 105 41.849 37.651 -34.723 1.00 0.00 N ATOM 1685 CA LEU A 105 42.119 36.311 -35.210 1.00 0.00 C ATOM 1686 C LEU A 105 43.401 36.302 -36.028 1.00 0.00 C ATOM 1687 O LEU A 105 43.386 36.548 -37.237 1.00 0.00 O ATOM 1688 CB LEU A 105 40.950 35.794 -36.050 1.00 0.00 C ATOM 1689 CG LEU A 105 39.618 35.662 -35.308 1.00 0.00 C ATOM 1690 CD1 LEU A 105 38.523 35.204 -36.261 1.00 0.00 C ATOM 1691 CD2 LEU A 105 39.754 34.691 -34.145 1.00 0.00 C ATOM 0 H LEU A 105 41.313 38.235 -35.365 1.00 0.00 H new ATOM 0 HA LEU A 105 42.242 35.650 -34.352 1.00 0.00 H new ATOM 0 HB2 LEU A 105 40.809 36.464 -36.898 1.00 0.00 H new ATOM 0 HB3 LEU A 105 41.219 34.819 -36.456 1.00 0.00 H new ATOM 0 HG LEU A 105 39.343 36.639 -34.911 1.00 0.00 H new ATOM 0 HD11 LEU A 105 37.582 35.115 -35.718 1.00 0.00 H new ATOM 0 HD12 LEU A 105 38.411 35.933 -37.064 1.00 0.00 H new ATOM 0 HD13 LEU A 105 38.791 34.236 -36.684 1.00 0.00 H new ATOM 0 HD21 LEU A 105 38.799 34.608 -33.627 1.00 0.00 H new ATOM 0 HD22 LEU A 105 40.049 33.712 -34.521 1.00 0.00 H new ATOM 0 HD23 LEU A 105 40.512 35.057 -33.452 1.00 0.00 H new ATOM 1703 N TRP A 106 44.514 36.058 -35.359 1.00 0.00 N ATOM 1704 CA TRP A 106 45.806 36.006 -36.024 1.00 0.00 C ATOM 1705 C TRP A 106 46.004 34.650 -36.693 1.00 0.00 C ATOM 1706 O TRP A 106 46.071 33.618 -36.022 1.00 0.00 O ATOM 1707 CB TRP A 106 46.934 36.286 -35.025 1.00 0.00 C ATOM 1708 CG TRP A 106 48.294 36.335 -35.658 1.00 0.00 C ATOM 1709 CD1 TRP A 106 49.271 35.389 -35.573 1.00 0.00 C ATOM 1710 CD2 TRP A 106 48.820 37.383 -36.474 1.00 0.00 C ATOM 1711 NE1 TRP A 106 50.376 35.785 -36.286 1.00 0.00 N ATOM 1712 CE2 TRP A 106 50.125 37.006 -36.850 1.00 0.00 C ATOM 1713 CE3 TRP A 106 48.318 38.605 -36.927 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 50.930 37.810 -37.652 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 49.117 39.399 -37.723 1.00 0.00 C ATOM 1716 CH2 TRP A 106 50.412 38.999 -38.079 1.00 0.00 C ATOM 0 H TRP A 106 44.550 35.892 -34.353 1.00 0.00 H new ATOM 0 HA TRP A 106 45.832 36.777 -36.794 1.00 0.00 H new ATOM 0 HB2 TRP A 106 46.740 37.235 -34.526 1.00 0.00 H new ATOM 0 HB3 TRP A 106 46.927 35.514 -34.255 1.00 0.00 H new ATOM 0 HD1 TRP A 106 49.188 34.462 -35.025 1.00 0.00 H new ATOM 0 HE1 TRP A 106 51.243 35.255 -36.380 1.00 0.00 H new ATOM 0 HE3 TRP A 106 47.321 38.923 -36.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 51.929 37.504 -37.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 48.738 40.346 -38.078 1.00 0.00 H new ATOM 0 HH2 TRP A 106 51.012 39.644 -38.704 1.00 0.00 H new ATOM 1727 N LYS A 107 46.070 34.659 -38.015 1.00 0.00 N ATOM 1728 CA LYS A 107 46.255 33.438 -38.782 1.00 0.00 C ATOM 1729 C LYS A 107 47.716 33.307 -39.196 1.00 0.00 C ATOM 1730 O LYS A 107 48.312 34.257 -39.705 1.00 0.00 O ATOM 1731 CB LYS A 107 45.332 33.450 -40.015 1.00 0.00 C ATOM 1732 CG LYS A 107 45.255 32.126 -40.777 1.00 0.00 C ATOM 1733 CD LYS A 107 46.484 31.885 -41.646 1.00 0.00 C ATOM 1734 CE LYS A 107 46.423 30.543 -42.354 1.00 0.00 C ATOM 1735 NZ LYS A 107 47.692 30.245 -43.065 1.00 0.00 N ATOM 0 H LYS A 107 45.998 35.504 -38.582 1.00 0.00 H new ATOM 0 HA LYS A 107 45.993 32.577 -38.167 1.00 0.00 H new ATOM 0 HB2 LYS A 107 44.327 33.727 -39.696 1.00 0.00 H new ATOM 0 HB3 LYS A 107 45.674 34.226 -40.699 1.00 0.00 H new ATOM 0 HG2 LYS A 107 45.149 31.306 -40.066 1.00 0.00 H new ATOM 0 HG3 LYS A 107 44.363 32.122 -41.404 1.00 0.00 H new ATOM 0 HD2 LYS A 107 46.568 32.682 -42.385 1.00 0.00 H new ATOM 0 HD3 LYS A 107 47.380 31.929 -41.027 1.00 0.00 H new ATOM 0 HE2 LYS A 107 46.218 29.756 -41.628 1.00 0.00 H new ATOM 0 HE3 LYS A 107 45.597 30.543 -43.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 47.774 29.219 -43.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 47.697 30.730 -43.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 48.496 30.577 -42.495 1.00 0.00 H new ATOM 1749 N LYS A 108 48.290 32.137 -38.960 1.00 0.00 N ATOM 1750 CA LYS A 108 49.654 31.868 -39.375 1.00 0.00 C ATOM 1751 C LYS A 108 49.735 30.483 -40.001 1.00 0.00 C ATOM 1752 O LYS A 108 49.870 29.495 -39.251 1.00 0.00 O ATOM 1753 CB LYS A 108 50.610 31.974 -38.183 1.00 0.00 C ATOM 1754 CG LYS A 108 52.071 32.077 -38.586 1.00 0.00 C ATOM 1755 CD LYS A 108 52.985 32.048 -37.376 1.00 0.00 C ATOM 1756 CE LYS A 108 54.416 32.392 -37.755 1.00 0.00 C ATOM 1757 NZ LYS A 108 54.560 33.813 -38.178 1.00 0.00 N ATOM 1758 OXT LYS A 108 49.620 30.382 -41.238 1.00 0.00 O ATOM 0 H LYS A 108 47.831 31.361 -38.484 1.00 0.00 H new ATOM 0 HA LYS A 108 49.952 32.611 -40.115 1.00 0.00 H new ATOM 0 HB2 LYS A 108 50.342 32.848 -37.589 1.00 0.00 H new ATOM 0 HB3 LYS A 108 50.478 31.102 -37.543 1.00 0.00 H new ATOM 0 HG2 LYS A 108 52.324 31.254 -39.254 1.00 0.00 H new ATOM 0 HG3 LYS A 108 52.232 33.000 -39.143 1.00 0.00 H new ATOM 0 HD2 LYS A 108 52.625 32.755 -36.629 1.00 0.00 H new ATOM 0 HD3 LYS A 108 52.956 31.059 -36.919 1.00 0.00 H new ATOM 0 HE2 LYS A 108 55.071 32.199 -36.906 1.00 0.00 H new ATOM 0 HE3 LYS A 108 54.743 31.739 -38.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 55.564 34.084 -38.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 54.199 33.925 -39.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 54.018 34.424 -37.534 1.00 0.00 H new TER 1772 LYS A 108