USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 607 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 42:sc= 0.2 USER MOD Single : A 26 TYR OH : rot -168:sc= 0.308 USER MOD Single : A 30 THR OG1 : rot 159:sc= 0.0567 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -140:sc= -0.249 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -1.2 (180deg=-1.64) USER MOD Single : A 49 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.52) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 61 CYS SG : rot 129:sc= 0.619 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0615 (180deg=-0.0615) USER MOD Single : A 72 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-2.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.723 USER MOD Single : A 82 SER OG : rot 44:sc= 1.29 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.842 -9.808 -17.155 1.00 0.00 N ATOM 2 CA GLY A 1 8.965 -9.355 -18.021 1.00 0.00 C ATOM 3 C GLY A 1 10.289 -9.317 -17.282 1.00 0.00 C ATOM 4 O GLY A 1 11.234 -10.015 -17.650 1.00 0.00 O ATOM 0 H1 GLY A 1 6.960 -9.817 -17.706 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.040 -10.766 -16.803 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.740 -9.158 -16.350 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.050 -10.022 -18.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.741 -8.362 -18.411 1.00 0.00 H new ATOM 10 N SER A 2 10.357 -8.500 -16.236 1.00 0.00 N ATOM 11 CA SER A 2 11.574 -8.372 -15.443 1.00 0.00 C ATOM 12 C SER A 2 11.296 -8.660 -13.971 1.00 0.00 C ATOM 13 O SER A 2 10.692 -7.845 -13.273 1.00 0.00 O ATOM 14 CB SER A 2 12.165 -6.970 -15.598 1.00 0.00 C ATOM 15 OG SER A 2 13.581 -7.012 -15.625 1.00 0.00 O ATOM 0 H SER A 2 9.583 -7.916 -15.918 1.00 0.00 H new ATOM 0 HA SER A 2 12.295 -9.104 -15.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.794 -6.516 -16.517 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.833 -6.339 -14.774 1.00 0.00 H new ATOM 0 HG SER A 2 13.933 -6.103 -15.727 1.00 0.00 H new ATOM 21 N SER A 3 11.741 -9.822 -13.506 1.00 0.00 N ATOM 22 CA SER A 3 11.539 -10.216 -12.117 1.00 0.00 C ATOM 23 C SER A 3 12.841 -10.722 -11.500 1.00 0.00 C ATOM 24 O SER A 3 13.706 -11.249 -12.199 1.00 0.00 O ATOM 25 CB SER A 3 10.464 -11.300 -12.022 1.00 0.00 C ATOM 26 OG SER A 3 9.187 -10.781 -12.354 1.00 0.00 O ATOM 0 H SER A 3 12.244 -10.507 -14.070 1.00 0.00 H new ATOM 0 HA SER A 3 11.210 -9.338 -11.562 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.712 -12.122 -12.693 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.443 -11.708 -11.012 1.00 0.00 H new ATOM 0 HG SER A 3 8.517 -11.493 -12.288 1.00 0.00 H new ATOM 32 N GLY A 4 12.971 -10.557 -10.188 1.00 0.00 N ATOM 33 CA GLY A 4 14.169 -11.001 -9.500 1.00 0.00 C ATOM 34 C GLY A 4 14.077 -10.820 -7.999 1.00 0.00 C ATOM 35 O GLY A 4 13.693 -11.740 -7.277 1.00 0.00 O ATOM 0 H GLY A 4 12.268 -10.124 -9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.345 -12.053 -9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.028 -10.446 -9.878 1.00 0.00 H new ATOM 39 N SER A 5 14.430 -9.628 -7.525 1.00 0.00 N ATOM 40 CA SER A 5 14.385 -9.328 -6.099 1.00 0.00 C ATOM 41 C SER A 5 13.296 -8.306 -5.792 1.00 0.00 C ATOM 42 O SER A 5 13.361 -7.161 -6.242 1.00 0.00 O ATOM 43 CB SER A 5 15.742 -8.805 -5.624 1.00 0.00 C ATOM 44 OG SER A 5 16.624 -9.872 -5.326 1.00 0.00 O ATOM 0 H SER A 5 14.750 -8.855 -8.108 1.00 0.00 H new ATOM 0 HA SER A 5 14.152 -10.250 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.181 -8.171 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.606 -8.184 -4.739 1.00 0.00 H new ATOM 0 HG SER A 5 17.484 -9.511 -5.026 1.00 0.00 H new ATOM 50 N SER A 6 12.297 -8.725 -5.023 1.00 0.00 N ATOM 51 CA SER A 6 11.194 -7.845 -4.656 1.00 0.00 C ATOM 52 C SER A 6 10.731 -8.119 -3.229 1.00 0.00 C ATOM 53 O SER A 6 10.219 -9.198 -2.928 1.00 0.00 O ATOM 54 CB SER A 6 10.026 -8.024 -5.627 1.00 0.00 C ATOM 55 OG SER A 6 9.984 -9.345 -6.137 1.00 0.00 O ATOM 0 H SER A 6 12.228 -9.669 -4.642 1.00 0.00 H new ATOM 0 HA SER A 6 11.549 -6.816 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.089 -7.797 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.122 -7.316 -6.450 1.00 0.00 H new ATOM 0 HG SER A 6 9.228 -9.434 -6.754 1.00 0.00 H new ATOM 61 N GLY A 7 10.915 -7.137 -2.353 1.00 0.00 N ATOM 62 CA GLY A 7 10.510 -7.291 -0.969 1.00 0.00 C ATOM 63 C GLY A 7 10.649 -6.007 -0.175 1.00 0.00 C ATOM 64 O GLY A 7 11.643 -5.293 -0.309 1.00 0.00 O ATOM 0 H GLY A 7 11.338 -6.236 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.473 -7.626 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.113 -8.070 -0.502 1.00 0.00 H new ATOM 68 N LEU A 8 9.651 -5.713 0.651 1.00 0.00 N ATOM 69 CA LEU A 8 9.667 -4.505 1.469 1.00 0.00 C ATOM 70 C LEU A 8 9.387 -4.835 2.932 1.00 0.00 C ATOM 71 O LEU A 8 9.255 -6.002 3.300 1.00 0.00 O ATOM 72 CB LEU A 8 8.633 -3.501 0.954 1.00 0.00 C ATOM 73 CG LEU A 8 8.550 -3.382 -0.571 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.339 -4.134 -1.101 1.00 0.00 C ATOM 75 CD2 LEU A 8 8.498 -1.921 -0.990 1.00 0.00 C ATOM 0 H LEU A 8 8.821 -6.294 0.772 1.00 0.00 H new ATOM 0 HA LEU A 8 10.660 -4.062 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.652 -3.785 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.864 -2.520 1.368 1.00 0.00 H new ATOM 0 HG LEU A 8 9.446 -3.831 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.297 -4.038 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.419 -5.187 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.432 -3.716 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.439 -1.856 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.620 -1.447 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.397 -1.411 -0.644 1.00 0.00 H new ATOM 87 N ARG A 9 9.298 -3.800 3.761 1.00 0.00 N ATOM 88 CA ARG A 9 9.035 -3.979 5.183 1.00 0.00 C ATOM 89 C ARG A 9 7.757 -3.256 5.595 1.00 0.00 C ATOM 90 O ARG A 9 7.084 -2.643 4.767 1.00 0.00 O ATOM 91 CB ARG A 9 10.215 -3.468 6.011 1.00 0.00 C ATOM 92 CG ARG A 9 11.483 -4.288 5.835 1.00 0.00 C ATOM 93 CD ARG A 9 12.206 -4.488 7.156 1.00 0.00 C ATOM 94 NE ARG A 9 13.633 -4.741 6.968 1.00 0.00 N ATOM 95 CZ ARG A 9 14.417 -5.292 7.892 1.00 0.00 C ATOM 96 NH1 ARG A 9 13.918 -5.648 9.070 1.00 0.00 N ATOM 97 NH2 ARG A 9 15.703 -5.488 7.638 1.00 0.00 N ATOM 0 H ARG A 9 9.404 -2.828 3.471 1.00 0.00 H new ATOM 0 HA ARG A 9 8.904 -5.045 5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.420 -2.434 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.936 -3.468 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.233 -5.258 5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.146 -3.788 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.074 -3.603 7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.757 -5.325 7.692 1.00 0.00 H new ATOM 0 HE ARG A 9 14.053 -4.480 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.929 -5.500 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.524 -6.070 9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.092 -5.217 6.735 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.304 -5.910 8.346 1.00 0.00 H new ATOM 111 N LEU A 10 7.429 -3.330 6.882 1.00 0.00 N ATOM 112 CA LEU A 10 6.232 -2.681 7.404 1.00 0.00 C ATOM 113 C LEU A 10 6.560 -1.302 7.966 1.00 0.00 C ATOM 114 O LEU A 10 6.760 -1.142 9.170 1.00 0.00 O ATOM 115 CB LEU A 10 5.590 -3.547 8.490 1.00 0.00 C ATOM 116 CG LEU A 10 5.156 -4.942 8.034 1.00 0.00 C ATOM 117 CD1 LEU A 10 5.330 -5.950 9.160 1.00 0.00 C ATOM 118 CD2 LEU A 10 3.712 -4.919 7.556 1.00 0.00 C ATOM 0 H LEU A 10 7.975 -3.833 7.581 1.00 0.00 H new ATOM 0 HA LEU A 10 5.528 -2.559 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.297 -3.654 9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.719 -3.023 8.884 1.00 0.00 H new ATOM 0 HG LEU A 10 5.790 -5.246 7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.016 -6.936 8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.378 -5.986 9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.720 -5.652 10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.419 -5.919 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.064 -4.595 8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.617 -4.227 6.719 1.00 0.00 H new ATOM 130 N GLY A 11 6.614 -0.307 7.085 1.00 0.00 N ATOM 131 CA GLY A 11 6.919 1.046 7.512 1.00 0.00 C ATOM 132 C GLY A 11 8.043 1.669 6.709 1.00 0.00 C ATOM 133 O GLY A 11 9.010 2.179 7.275 1.00 0.00 O ATOM 0 H GLY A 11 6.452 -0.414 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.025 1.663 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.192 1.038 8.567 1.00 0.00 H new ATOM 137 N ASP A 12 7.917 1.627 5.387 1.00 0.00 N ATOM 138 CA ASP A 12 8.932 2.192 4.504 1.00 0.00 C ATOM 139 C ASP A 12 8.291 3.056 3.423 1.00 0.00 C ATOM 140 O ASP A 12 7.167 2.800 2.994 1.00 0.00 O ATOM 141 CB ASP A 12 9.755 1.075 3.859 1.00 0.00 C ATOM 142 CG ASP A 12 10.860 0.574 4.768 1.00 0.00 C ATOM 143 OD1 ASP A 12 10.563 0.230 5.931 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.024 0.525 4.317 1.00 0.00 O ATOM 0 H ASP A 12 7.123 1.208 4.903 1.00 0.00 H new ATOM 0 HA ASP A 12 9.591 2.820 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.097 0.246 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.190 1.439 2.928 1.00 0.00 H new ATOM 149 N ARG A 13 9.015 4.082 2.987 1.00 0.00 N ATOM 150 CA ARG A 13 8.518 4.985 1.955 1.00 0.00 C ATOM 151 C ARG A 13 8.667 4.361 0.571 1.00 0.00 C ATOM 152 O ARG A 13 9.779 4.103 0.110 1.00 0.00 O ATOM 153 CB ARG A 13 9.265 6.320 2.013 1.00 0.00 C ATOM 154 CG ARG A 13 8.437 7.453 2.599 1.00 0.00 C ATOM 155 CD ARG A 13 8.948 7.870 3.969 1.00 0.00 C ATOM 156 NE ARG A 13 8.253 7.173 5.048 1.00 0.00 N ATOM 157 CZ ARG A 13 8.234 7.593 6.311 1.00 0.00 C ATOM 158 NH1 ARG A 13 8.872 8.704 6.658 1.00 0.00 N ATOM 159 NH2 ARG A 13 7.577 6.900 7.231 1.00 0.00 N ATOM 0 H ARG A 13 9.948 4.309 3.332 1.00 0.00 H new ATOM 0 HA ARG A 13 7.459 5.163 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.169 6.196 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.581 6.594 1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.462 8.309 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.396 7.140 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.017 7.666 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.821 8.946 4.091 1.00 0.00 H new ATOM 0 HE ARG A 13 7.753 6.314 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.380 9.241 5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.854 9.021 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.086 6.045 6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.563 7.222 8.199 1.00 0.00 H new ATOM 173 N VAL A 14 7.537 4.122 -0.089 1.00 0.00 N ATOM 174 CA VAL A 14 7.542 3.529 -1.421 1.00 0.00 C ATOM 175 C VAL A 14 6.771 4.396 -2.410 1.00 0.00 C ATOM 176 O VAL A 14 5.992 5.263 -2.015 1.00 0.00 O ATOM 177 CB VAL A 14 6.929 2.116 -1.410 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.799 1.163 -0.606 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.512 2.154 -0.856 1.00 0.00 C ATOM 0 H VAL A 14 6.608 4.330 0.277 1.00 0.00 H new ATOM 0 HA VAL A 14 8.584 3.462 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 14 6.884 1.751 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.350 0.170 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.793 1.114 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.879 1.521 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.094 1.147 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.530 2.540 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.895 2.802 -1.478 1.00 0.00 H new ATOM 189 N LEU A 15 6.994 4.157 -3.698 1.00 0.00 N ATOM 190 CA LEU A 15 6.319 4.916 -4.745 1.00 0.00 C ATOM 191 C LEU A 15 5.323 4.040 -5.498 1.00 0.00 C ATOM 192 O LEU A 15 5.712 3.160 -6.266 1.00 0.00 O ATOM 193 CB LEU A 15 7.343 5.498 -5.721 1.00 0.00 C ATOM 194 CG LEU A 15 6.790 6.542 -6.693 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.117 7.675 -5.935 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.900 7.081 -7.584 1.00 0.00 C ATOM 0 H LEU A 15 7.637 3.444 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 15 5.772 5.732 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.152 5.950 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.778 4.681 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 15 6.043 6.061 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.730 8.407 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.295 7.277 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.842 8.154 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.489 7.822 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.669 7.545 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.338 6.262 -8.155 1.00 0.00 H new ATOM 208 N VAL A 16 4.038 4.286 -5.271 1.00 0.00 N ATOM 209 CA VAL A 16 2.985 3.521 -5.928 1.00 0.00 C ATOM 210 C VAL A 16 2.527 4.204 -7.211 1.00 0.00 C ATOM 211 O VAL A 16 1.930 5.281 -7.174 1.00 0.00 O ATOM 212 CB VAL A 16 1.770 3.325 -5.001 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.772 2.361 -5.625 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.216 2.832 -3.634 1.00 0.00 C ATOM 0 H VAL A 16 3.700 5.010 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 16 3.408 2.546 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 16 1.276 4.288 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.079 2.235 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.428 2.761 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.251 1.396 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.344 2.699 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.735 1.880 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.889 3.563 -3.185 1.00 0.00 H new ATOM 224 N GLY A 17 2.810 3.573 -8.346 1.00 0.00 N ATOM 225 CA GLY A 17 2.419 4.137 -9.625 1.00 0.00 C ATOM 226 C GLY A 17 3.541 4.917 -10.282 1.00 0.00 C ATOM 227 O GLY A 17 3.598 5.021 -11.508 1.00 0.00 O ATOM 0 H GLY A 17 3.303 2.682 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.100 3.335 -10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.560 4.793 -9.482 1.00 0.00 H new ATOM 231 N GLY A 18 4.435 5.465 -9.467 1.00 0.00 N ATOM 232 CA GLY A 18 5.548 6.231 -9.994 1.00 0.00 C ATOM 233 C GLY A 18 5.398 7.720 -9.747 1.00 0.00 C ATOM 234 O GLY A 18 5.903 8.539 -10.514 1.00 0.00 O ATOM 0 H GLY A 18 4.409 5.392 -8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.474 5.882 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.634 6.051 -11.066 1.00 0.00 H new ATOM 238 N THR A 19 4.699 8.070 -8.671 1.00 0.00 N ATOM 239 CA THR A 19 4.483 9.470 -8.324 1.00 0.00 C ATOM 240 C THR A 19 3.905 9.598 -6.918 1.00 0.00 C ATOM 241 O THR A 19 4.325 10.455 -6.140 1.00 0.00 O ATOM 242 CB THR A 19 3.543 10.129 -9.336 1.00 0.00 C ATOM 243 OG1 THR A 19 2.616 9.188 -9.845 1.00 0.00 O ATOM 244 CG2 THR A 19 4.268 10.744 -10.513 1.00 0.00 C ATOM 0 H THR A 19 4.273 7.404 -8.026 1.00 0.00 H new ATOM 0 HA THR A 19 5.447 9.978 -8.350 1.00 0.00 H new ATOM 0 HB THR A 19 3.037 10.923 -8.787 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.023 9.628 -10.489 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.544 11.194 -11.192 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.956 11.511 -10.156 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.828 9.971 -11.040 1.00 0.00 H new ATOM 252 N LYS A 20 2.940 8.742 -6.600 1.00 0.00 N ATOM 253 CA LYS A 20 2.304 8.758 -5.288 1.00 0.00 C ATOM 254 C LYS A 20 3.216 8.139 -4.234 1.00 0.00 C ATOM 255 O LYS A 20 3.404 6.922 -4.199 1.00 0.00 O ATOM 256 CB LYS A 20 0.973 8.008 -5.333 1.00 0.00 C ATOM 257 CG LYS A 20 0.046 8.481 -6.440 1.00 0.00 C ATOM 258 CD LYS A 20 -0.766 7.332 -7.017 1.00 0.00 C ATOM 259 CE LYS A 20 -2.130 7.226 -6.356 1.00 0.00 C ATOM 260 NZ LYS A 20 -3.105 6.492 -7.208 1.00 0.00 N ATOM 0 H LYS A 20 2.581 8.028 -7.234 1.00 0.00 H new ATOM 0 HA LYS A 20 2.117 9.797 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.169 6.944 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.468 8.123 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.628 9.244 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.632 8.947 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.891 7.477 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.222 6.397 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.030 6.717 -5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.511 8.226 -6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.023 6.442 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.220 6.991 -8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.754 5.529 -7.386 1.00 0.00 H new ATOM 274 N THR A 21 3.780 8.983 -3.375 1.00 0.00 N ATOM 275 CA THR A 21 4.671 8.518 -2.319 1.00 0.00 C ATOM 276 C THR A 21 3.885 8.156 -1.065 1.00 0.00 C ATOM 277 O THR A 21 3.250 9.012 -0.449 1.00 0.00 O ATOM 278 CB THR A 21 5.711 9.591 -1.992 1.00 0.00 C ATOM 279 OG1 THR A 21 5.088 10.844 -1.779 1.00 0.00 O ATOM 280 CG2 THR A 21 6.747 9.772 -3.081 1.00 0.00 C ATOM 0 H THR A 21 3.635 9.993 -3.390 1.00 0.00 H new ATOM 0 HA THR A 21 5.182 7.624 -2.676 1.00 0.00 H new ATOM 0 HB THR A 21 6.213 9.241 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.277 10.719 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.454 10.547 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.281 8.834 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.253 10.065 -4.008 1.00 0.00 H new ATOM 288 N GLY A 22 3.932 6.881 -0.689 1.00 0.00 N ATOM 289 CA GLY A 22 3.220 6.429 0.492 1.00 0.00 C ATOM 290 C GLY A 22 4.032 5.454 1.321 1.00 0.00 C ATOM 291 O GLY A 22 4.928 4.785 0.805 1.00 0.00 O ATOM 0 H GLY A 22 4.450 6.154 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.956 7.291 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.286 5.955 0.190 1.00 0.00 H new ATOM 295 N VAL A 23 3.719 5.372 2.610 1.00 0.00 N ATOM 296 CA VAL A 23 4.425 4.472 3.513 1.00 0.00 C ATOM 297 C VAL A 23 3.753 3.104 3.560 1.00 0.00 C ATOM 298 O VAL A 23 2.526 3.002 3.552 1.00 0.00 O ATOM 299 CB VAL A 23 4.494 5.046 4.941 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.429 4.217 5.807 1.00 0.00 C ATOM 301 CG2 VAL A 23 4.934 6.503 4.910 1.00 0.00 C ATOM 0 H VAL A 23 2.980 5.919 3.052 1.00 0.00 H new ATOM 0 HA VAL A 23 5.438 4.365 3.124 1.00 0.00 H new ATOM 0 HB VAL A 23 3.497 5.000 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.464 4.639 6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.065 3.191 5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.429 4.226 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.977 6.892 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.920 6.576 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.220 7.086 4.329 1.00 0.00 H new ATOM 311 N VAL A 24 4.566 2.053 3.611 1.00 0.00 N ATOM 312 CA VAL A 24 4.050 0.690 3.660 1.00 0.00 C ATOM 313 C VAL A 24 3.405 0.397 5.011 1.00 0.00 C ATOM 314 O VAL A 24 4.031 0.561 6.058 1.00 0.00 O ATOM 315 CB VAL A 24 5.163 -0.343 3.399 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.583 -1.746 3.307 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.931 0.007 2.132 1.00 0.00 C ATOM 0 H VAL A 24 5.584 2.119 3.619 1.00 0.00 H new ATOM 0 HA VAL A 24 3.298 0.607 2.875 1.00 0.00 H new ATOM 0 HB VAL A 24 5.858 -0.317 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.386 -2.460 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.084 -1.995 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.864 -1.789 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.713 -0.734 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.248 0.013 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.383 0.993 2.241 1.00 0.00 H new ATOM 327 N ARG A 25 2.149 -0.037 4.980 1.00 0.00 N ATOM 328 CA ARG A 25 1.418 -0.353 6.201 1.00 0.00 C ATOM 329 C ARG A 25 1.201 -1.858 6.334 1.00 0.00 C ATOM 330 O ARG A 25 1.138 -2.390 7.442 1.00 0.00 O ATOM 331 CB ARG A 25 0.071 0.370 6.216 1.00 0.00 C ATOM 332 CG ARG A 25 0.174 1.841 6.586 1.00 0.00 C ATOM 333 CD ARG A 25 -0.125 2.067 8.060 1.00 0.00 C ATOM 334 NE ARG A 25 0.409 3.340 8.538 1.00 0.00 N ATOM 335 CZ ARG A 25 1.686 3.535 8.856 1.00 0.00 C ATOM 336 NH1 ARG A 25 2.564 2.545 8.749 1.00 0.00 N ATOM 337 NH2 ARG A 25 2.088 4.725 9.283 1.00 0.00 N ATOM 0 H ARG A 25 1.616 -0.178 4.122 1.00 0.00 H new ATOM 0 HA ARG A 25 2.015 -0.014 7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.390 0.283 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.592 -0.128 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.175 2.206 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.523 2.420 5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.203 2.044 8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.301 1.252 8.645 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.235 4.125 8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.261 1.628 8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.542 2.702 8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.418 5.490 9.367 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.067 4.875 9.527 1.00 0.00 H new ATOM 351 N TYR A 26 1.085 -2.536 5.197 1.00 0.00 N ATOM 352 CA TYR A 26 0.873 -3.978 5.187 1.00 0.00 C ATOM 353 C TYR A 26 1.886 -4.670 4.279 1.00 0.00 C ATOM 354 O TYR A 26 2.315 -4.109 3.271 1.00 0.00 O ATOM 355 CB TYR A 26 -0.548 -4.302 4.723 1.00 0.00 C ATOM 356 CG TYR A 26 -0.952 -5.739 4.960 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.883 -6.300 6.229 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.403 -6.535 3.915 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.252 -7.614 6.450 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.773 -7.849 4.127 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.697 -8.383 5.395 1.00 0.00 C ATOM 362 OH TYR A 26 -2.065 -9.691 5.611 1.00 0.00 O ATOM 0 H TYR A 26 1.134 -2.110 4.271 1.00 0.00 H new ATOM 0 HA TYR A 26 1.010 -4.348 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.248 -3.647 5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.633 -4.081 3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.535 -5.700 7.057 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.465 -6.120 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.192 -8.036 7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.120 -8.455 3.303 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.169 -10.148 4.750 1.00 0.00 H new ATOM 372 N VAL A 27 2.262 -5.892 4.644 1.00 0.00 N ATOM 373 CA VAL A 27 3.223 -6.660 3.864 1.00 0.00 C ATOM 374 C VAL A 27 3.003 -8.158 4.041 1.00 0.00 C ATOM 375 O VAL A 27 3.401 -8.738 5.052 1.00 0.00 O ATOM 376 CB VAL A 27 4.672 -6.315 4.258 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.659 -6.988 3.317 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.878 -4.808 4.271 1.00 0.00 C ATOM 0 H VAL A 27 1.915 -6.371 5.475 1.00 0.00 H new ATOM 0 HA VAL A 27 3.066 -6.393 2.819 1.00 0.00 H new ATOM 0 HB VAL A 27 4.853 -6.692 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.676 -6.731 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.529 -8.069 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.480 -6.646 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.907 -4.584 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.676 -4.405 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.198 -4.354 4.992 1.00 0.00 H new ATOM 388 N GLY A 28 2.367 -8.779 3.054 1.00 0.00 N ATOM 389 CA GLY A 28 2.105 -10.204 3.121 1.00 0.00 C ATOM 390 C GLY A 28 1.159 -10.672 2.032 1.00 0.00 C ATOM 391 O GLY A 28 1.311 -10.301 0.868 1.00 0.00 O ATOM 0 H GLY A 28 2.028 -8.320 2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.046 -10.748 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.681 -10.447 4.095 1.00 0.00 H new ATOM 395 N GLU A 29 0.181 -11.488 2.411 1.00 0.00 N ATOM 396 CA GLU A 29 -0.794 -12.006 1.460 1.00 0.00 C ATOM 397 C GLU A 29 -2.202 -11.540 1.814 1.00 0.00 C ATOM 398 O GLU A 29 -2.481 -11.198 2.964 1.00 0.00 O ATOM 399 CB GLU A 29 -0.742 -13.536 1.427 1.00 0.00 C ATOM 400 CG GLU A 29 0.388 -14.088 0.574 1.00 0.00 C ATOM 401 CD GLU A 29 0.013 -15.379 -0.125 1.00 0.00 C ATOM 402 OE1 GLU A 29 -0.614 -16.245 0.523 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.346 -15.527 -1.319 1.00 0.00 O ATOM 0 H GLU A 29 0.043 -11.805 3.371 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.542 -11.619 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.633 -13.910 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.691 -13.915 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.672 -13.345 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.262 -14.260 1.202 1.00 0.00 H new ATOM 410 N THR A 30 -3.085 -11.529 0.822 1.00 0.00 N ATOM 411 CA THR A 30 -4.465 -11.104 1.030 1.00 0.00 C ATOM 412 C THR A 30 -5.426 -12.280 0.879 1.00 0.00 C ATOM 413 O THR A 30 -5.004 -13.417 0.672 1.00 0.00 O ATOM 414 CB THR A 30 -4.834 -9.997 0.043 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.675 -10.442 -1.291 1.00 0.00 O ATOM 416 CG2 THR A 30 -4.002 -8.744 0.212 1.00 0.00 C ATOM 0 H THR A 30 -2.870 -11.810 -0.135 1.00 0.00 H new ATOM 0 HA THR A 30 -4.551 -10.718 2.046 1.00 0.00 H new ATOM 0 HB THR A 30 -5.875 -9.754 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.212 -9.881 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.315 -7.998 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.142 -8.347 1.218 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.950 -8.983 0.059 1.00 0.00 H new ATOM 424 N ASP A 31 -6.721 -11.997 0.983 1.00 0.00 N ATOM 425 CA ASP A 31 -7.741 -13.031 0.856 1.00 0.00 C ATOM 426 C ASP A 31 -8.735 -12.689 -0.250 1.00 0.00 C ATOM 427 O ASP A 31 -9.898 -13.087 -0.196 1.00 0.00 O ATOM 428 CB ASP A 31 -8.481 -13.209 2.184 1.00 0.00 C ATOM 429 CG ASP A 31 -8.830 -14.659 2.462 1.00 0.00 C ATOM 430 OD1 ASP A 31 -8.129 -15.548 1.937 1.00 0.00 O ATOM 431 OD2 ASP A 31 -9.803 -14.902 3.205 1.00 0.00 O ATOM 0 H ASP A 31 -7.088 -11.061 1.155 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.244 -13.965 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.863 -12.825 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.394 -12.614 2.170 1.00 0.00 H new ATOM 436 N PHE A 32 -8.270 -11.949 -1.252 1.00 0.00 N ATOM 437 CA PHE A 32 -9.120 -11.558 -2.371 1.00 0.00 C ATOM 438 C PHE A 32 -8.416 -11.794 -3.702 1.00 0.00 C ATOM 439 O PHE A 32 -9.010 -12.315 -4.646 1.00 0.00 O ATOM 440 CB PHE A 32 -9.523 -10.086 -2.245 1.00 0.00 C ATOM 441 CG PHE A 32 -8.361 -9.135 -2.305 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.881 -8.682 -3.523 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.750 -8.693 -1.142 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.814 -7.806 -3.581 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.683 -7.818 -1.193 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.214 -7.373 -2.414 1.00 0.00 C ATOM 0 H PHE A 32 -7.310 -11.609 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.017 -12.176 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.224 -9.841 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.051 -9.942 -1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.346 -9.018 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.113 -9.037 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.450 -7.460 -4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.216 -7.482 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.380 -6.688 -2.456 1.00 0.00 H new ATOM 456 N ALA A 33 -7.145 -11.409 -3.773 1.00 0.00 N ATOM 457 CA ALA A 33 -6.362 -11.581 -4.990 1.00 0.00 C ATOM 458 C ALA A 33 -5.112 -12.413 -4.724 1.00 0.00 C ATOM 459 O ALA A 33 -4.617 -12.466 -3.598 1.00 0.00 O ATOM 460 CB ALA A 33 -5.982 -10.225 -5.567 1.00 0.00 C ATOM 0 H ALA A 33 -6.637 -10.976 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.975 -12.115 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.397 -10.367 -6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.886 -9.663 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.390 -9.672 -4.838 1.00 0.00 H new ATOM 466 N LYS A 34 -4.606 -13.062 -5.768 1.00 0.00 N ATOM 467 CA LYS A 34 -3.415 -13.892 -5.646 1.00 0.00 C ATOM 468 C LYS A 34 -2.166 -13.031 -5.486 1.00 0.00 C ATOM 469 O LYS A 34 -2.243 -11.802 -5.486 1.00 0.00 O ATOM 470 CB LYS A 34 -3.270 -14.797 -6.871 1.00 0.00 C ATOM 471 CG LYS A 34 -2.669 -16.157 -6.555 1.00 0.00 C ATOM 472 CD LYS A 34 -3.683 -17.276 -6.741 1.00 0.00 C ATOM 473 CE LYS A 34 -3.416 -18.066 -8.012 1.00 0.00 C ATOM 474 NZ LYS A 34 -3.640 -19.526 -7.817 1.00 0.00 N ATOM 0 H LYS A 34 -5.003 -13.029 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.525 -14.512 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.250 -14.939 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.645 -14.296 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.809 -16.334 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.303 -16.164 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.649 -17.946 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.688 -16.855 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.065 -17.702 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.389 -17.896 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.447 -20.029 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.003 -19.879 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.627 -19.691 -7.533 1.00 0.00 H new ATOM 488 N GLY A 35 -1.017 -13.683 -5.349 1.00 0.00 N ATOM 489 CA GLY A 35 0.232 -12.961 -5.190 1.00 0.00 C ATOM 490 C GLY A 35 0.308 -12.219 -3.871 1.00 0.00 C ATOM 491 O GLY A 35 -0.540 -12.404 -2.996 1.00 0.00 O ATOM 0 H GLY A 35 -0.928 -14.699 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.064 -13.662 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.345 -12.251 -6.010 1.00 0.00 H new ATOM 495 N GLU A 36 1.327 -11.378 -3.725 1.00 0.00 N ATOM 496 CA GLU A 36 1.510 -10.605 -2.501 1.00 0.00 C ATOM 497 C GLU A 36 1.165 -9.138 -2.727 1.00 0.00 C ATOM 498 O GLU A 36 1.676 -8.505 -3.652 1.00 0.00 O ATOM 499 CB GLU A 36 2.952 -10.732 -2.003 1.00 0.00 C ATOM 500 CG GLU A 36 3.298 -12.120 -1.490 1.00 0.00 C ATOM 501 CD GLU A 36 3.922 -12.997 -2.558 1.00 0.00 C ATOM 502 OE1 GLU A 36 4.506 -12.445 -3.514 1.00 0.00 O ATOM 503 OE2 GLU A 36 3.826 -14.237 -2.437 1.00 0.00 O ATOM 0 H GLU A 36 2.038 -11.214 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 36 0.835 -11.005 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.632 -10.474 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.117 -10.007 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.986 -12.032 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.395 -12.600 -1.113 1.00 0.00 H new ATOM 510 N TRP A 37 0.295 -8.602 -1.878 1.00 0.00 N ATOM 511 CA TRP A 37 -0.119 -7.208 -1.984 1.00 0.00 C ATOM 512 C TRP A 37 0.394 -6.395 -0.801 1.00 0.00 C ATOM 513 O TRP A 37 0.374 -6.859 0.339 1.00 0.00 O ATOM 514 CB TRP A 37 -1.644 -7.112 -2.061 1.00 0.00 C ATOM 515 CG TRP A 37 -2.218 -7.751 -3.288 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.277 -9.087 -3.566 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.815 -7.082 -4.405 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.873 -9.288 -4.787 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.212 -8.073 -5.322 1.00 0.00 C ATOM 520 CE3 TRP A 37 -3.052 -5.740 -4.718 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.834 -7.765 -6.530 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.669 -5.435 -5.917 1.00 0.00 C ATOM 523 CH2 TRP A 37 -4.053 -6.443 -6.810 1.00 0.00 C ATOM 0 H TRP A 37 -0.137 -9.112 -1.108 1.00 0.00 H new ATOM 0 HA TRP A 37 0.311 -6.796 -2.897 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -2.076 -7.584 -1.178 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.936 -6.062 -2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.909 -9.871 -2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.037 -10.195 -5.225 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.758 -4.956 -4.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.132 -8.540 -7.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.858 -4.402 -6.169 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.532 -6.172 -7.739 1.00 0.00 H new ATOM 534 N CYS A 38 0.853 -5.179 -1.078 1.00 0.00 N ATOM 535 CA CYS A 38 1.372 -4.300 -0.036 1.00 0.00 C ATOM 536 C CYS A 38 0.540 -3.026 0.064 1.00 0.00 C ATOM 537 O CYS A 38 0.351 -2.317 -0.925 1.00 0.00 O ATOM 538 CB CYS A 38 2.833 -3.948 -0.317 1.00 0.00 C ATOM 539 SG CYS A 38 4.024 -5.089 0.426 1.00 0.00 S ATOM 0 H CYS A 38 0.876 -4.779 -2.016 1.00 0.00 H new ATOM 0 HA CYS A 38 1.310 -4.829 0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.990 -3.928 -1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.031 -2.942 0.053 1.00 0.00 H new ATOM 0 HG CYS A 38 5.035 -4.418 0.892 1.00 0.00 H new ATOM 545 N GLY A 39 0.045 -2.740 1.263 1.00 0.00 N ATOM 546 CA GLY A 39 -0.760 -1.551 1.469 1.00 0.00 C ATOM 547 C GLY A 39 0.082 -0.303 1.644 1.00 0.00 C ATOM 548 O GLY A 39 0.919 -0.231 2.544 1.00 0.00 O ATOM 0 H GLY A 39 0.187 -3.311 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.429 -1.418 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.387 -1.689 2.350 1.00 0.00 H new ATOM 552 N VAL A 40 -0.140 0.684 0.782 1.00 0.00 N ATOM 553 CA VAL A 40 0.604 1.935 0.844 1.00 0.00 C ATOM 554 C VAL A 40 -0.299 3.093 1.252 1.00 0.00 C ATOM 555 O VAL A 40 -1.276 3.402 0.569 1.00 0.00 O ATOM 556 CB VAL A 40 1.263 2.267 -0.508 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.197 3.459 -0.371 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.008 1.057 -1.050 1.00 0.00 C ATOM 0 H VAL A 40 -0.830 0.641 0.032 1.00 0.00 H new ATOM 0 HA VAL A 40 1.382 1.801 1.596 1.00 0.00 H new ATOM 0 HB VAL A 40 0.478 2.531 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.652 3.677 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.632 4.327 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.977 3.228 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.467 1.310 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.782 0.760 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.309 0.232 -1.191 1.00 0.00 H new ATOM 568 N GLU A 41 0.032 3.730 2.371 1.00 0.00 N ATOM 569 CA GLU A 41 -0.751 4.854 2.871 1.00 0.00 C ATOM 570 C GLU A 41 -0.211 6.175 2.334 1.00 0.00 C ATOM 571 O GLU A 41 0.914 6.569 2.642 1.00 0.00 O ATOM 572 CB GLU A 41 -0.739 4.870 4.401 1.00 0.00 C ATOM 573 CG GLU A 41 -1.599 5.966 5.005 1.00 0.00 C ATOM 574 CD GLU A 41 -0.779 7.116 5.558 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.294 6.853 6.140 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.209 8.278 5.407 1.00 0.00 O ATOM 0 H GLU A 41 0.837 3.487 2.948 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.777 4.733 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.085 3.904 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.287 4.993 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.283 6.345 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.210 5.544 5.803 1.00 0.00 H new ATOM 583 N LEU A 42 -1.020 6.855 1.529 1.00 0.00 N ATOM 584 CA LEU A 42 -0.624 8.134 0.948 1.00 0.00 C ATOM 585 C LEU A 42 -0.872 9.276 1.928 1.00 0.00 C ATOM 586 O LEU A 42 -1.751 9.190 2.786 1.00 0.00 O ATOM 587 CB LEU A 42 -1.389 8.385 -0.353 1.00 0.00 C ATOM 588 CG LEU A 42 -1.042 7.437 -1.501 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.992 7.645 -2.671 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.400 7.638 -1.941 1.00 0.00 C ATOM 0 H LEU A 42 -1.954 6.543 1.264 1.00 0.00 H new ATOM 0 HA LEU A 42 0.443 8.092 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.457 8.309 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.199 9.408 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.153 6.412 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.730 6.962 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.015 7.450 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.913 8.673 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.629 6.955 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.538 8.666 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.067 7.438 -1.103 1.00 0.00 H new ATOM 602 N ASP A 43 -0.093 10.344 1.793 1.00 0.00 N ATOM 603 CA ASP A 43 -0.228 11.503 2.667 1.00 0.00 C ATOM 604 C ASP A 43 -1.437 12.345 2.271 1.00 0.00 C ATOM 605 O ASP A 43 -2.137 12.885 3.128 1.00 0.00 O ATOM 606 CB ASP A 43 1.041 12.356 2.617 1.00 0.00 C ATOM 607 CG ASP A 43 2.105 11.864 3.578 1.00 0.00 C ATOM 608 OD1 ASP A 43 1.780 11.645 4.764 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.265 11.698 3.144 1.00 0.00 O ATOM 0 H ASP A 43 0.638 10.431 1.087 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.376 11.144 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.440 12.350 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.790 13.390 2.855 1.00 0.00 H new ATOM 614 N GLU A 44 -1.677 12.453 0.969 1.00 0.00 N ATOM 615 CA GLU A 44 -2.802 13.229 0.461 1.00 0.00 C ATOM 616 C GLU A 44 -3.941 12.313 0.019 1.00 0.00 C ATOM 617 O GLU A 44 -3.704 11.211 -0.477 1.00 0.00 O ATOM 618 CB GLU A 44 -2.356 14.108 -0.709 1.00 0.00 C ATOM 619 CG GLU A 44 -1.117 14.936 -0.411 1.00 0.00 C ATOM 620 CD GLU A 44 -1.348 15.958 0.683 1.00 0.00 C ATOM 621 OE1 GLU A 44 -1.297 15.578 1.872 1.00 0.00 O ATOM 622 OE2 GLU A 44 -1.581 17.140 0.352 1.00 0.00 O ATOM 0 H GLU A 44 -1.108 12.013 0.246 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.165 13.866 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.160 13.475 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.172 14.777 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.303 14.273 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.799 15.447 -1.320 1.00 0.00 H new ATOM 629 N PRO A 45 -5.199 12.756 0.195 1.00 0.00 N ATOM 630 CA PRO A 45 -6.375 11.967 -0.190 1.00 0.00 C ATOM 631 C PRO A 45 -6.330 11.536 -1.652 1.00 0.00 C ATOM 632 O PRO A 45 -6.859 12.221 -2.527 1.00 0.00 O ATOM 633 CB PRO A 45 -7.546 12.925 0.048 1.00 0.00 C ATOM 634 CG PRO A 45 -7.043 13.901 1.054 1.00 0.00 C ATOM 635 CD PRO A 45 -5.574 14.057 0.779 1.00 0.00 C ATOM 0 HA PRO A 45 -6.445 11.040 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.841 13.425 -0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.423 12.393 0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.561 14.856 0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.214 13.540 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.379 14.879 0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.014 14.265 1.691 1.00 0.00 H new ATOM 643 N LEU A 46 -5.697 10.397 -1.910 1.00 0.00 N ATOM 644 CA LEU A 46 -5.585 9.874 -3.266 1.00 0.00 C ATOM 645 C LEU A 46 -5.776 8.361 -3.284 1.00 0.00 C ATOM 646 O LEU A 46 -5.201 7.663 -4.119 1.00 0.00 O ATOM 647 CB LEU A 46 -4.223 10.235 -3.863 1.00 0.00 C ATOM 648 CG LEU A 46 -3.906 11.731 -3.897 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.405 11.960 -3.811 1.00 0.00 C ATOM 650 CD2 LEU A 46 -4.473 12.366 -5.159 1.00 0.00 C ATOM 0 H LEU A 46 -5.253 9.818 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.371 10.328 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.447 9.728 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.175 9.846 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.375 12.203 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.198 13.030 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.026 11.539 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.914 11.475 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.239 13.430 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.032 11.890 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.555 12.232 -5.179 1.00 0.00 H new ATOM 662 N GLY A 47 -6.587 7.861 -2.358 1.00 0.00 N ATOM 663 CA GLY A 47 -6.839 6.434 -2.285 1.00 0.00 C ATOM 664 C GLY A 47 -8.317 6.109 -2.193 1.00 0.00 C ATOM 665 O GLY A 47 -9.130 6.973 -1.864 1.00 0.00 O ATOM 0 H GLY A 47 -7.074 8.419 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.418 5.949 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.325 6.022 -1.417 1.00 0.00 H new ATOM 669 N LYS A 48 -8.664 4.860 -2.485 1.00 0.00 N ATOM 670 CA LYS A 48 -10.054 4.421 -2.436 1.00 0.00 C ATOM 671 C LYS A 48 -10.287 3.483 -1.255 1.00 0.00 C ATOM 672 O LYS A 48 -11.398 3.395 -0.731 1.00 0.00 O ATOM 673 CB LYS A 48 -10.436 3.721 -3.740 1.00 0.00 C ATOM 674 CG LYS A 48 -9.640 2.452 -4.005 1.00 0.00 C ATOM 675 CD LYS A 48 -10.249 1.637 -5.134 1.00 0.00 C ATOM 676 CE LYS A 48 -11.264 0.634 -4.611 1.00 0.00 C ATOM 677 NZ LYS A 48 -12.388 1.300 -3.896 1.00 0.00 N ATOM 0 H LYS A 48 -8.002 4.134 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.683 5.302 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.498 3.475 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.290 4.412 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.612 2.712 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.603 1.848 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.731 2.305 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.460 1.111 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.658 0.050 -5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.769 -0.065 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.159 0.618 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.055 1.649 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.736 2.099 -4.464 1.00 0.00 H new ATOM 691 N ASN A 49 -9.235 2.784 -0.841 1.00 0.00 N ATOM 692 CA ASN A 49 -9.329 1.853 0.277 1.00 0.00 C ATOM 693 C ASN A 49 -8.894 2.520 1.578 1.00 0.00 C ATOM 694 O ASN A 49 -8.406 3.649 1.575 1.00 0.00 O ATOM 695 CB ASN A 49 -8.468 0.617 0.011 1.00 0.00 C ATOM 696 CG ASN A 49 -9.022 -0.246 -1.105 1.00 0.00 C ATOM 697 OD1 ASN A 49 -9.905 -1.076 -0.883 1.00 0.00 O ATOM 698 ND2 ASN A 49 -8.507 -0.055 -2.314 1.00 0.00 N ATOM 0 H ASN A 49 -8.308 2.845 -1.263 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.370 1.547 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.456 0.931 -0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.397 0.024 0.923 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.842 -0.607 -3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.777 0.644 -2.453 1.00 0.00 H new ATOM 705 N ASP A 50 -9.075 1.812 2.688 1.00 0.00 N ATOM 706 CA ASP A 50 -8.702 2.336 3.997 1.00 0.00 C ATOM 707 C ASP A 50 -8.003 1.266 4.831 1.00 0.00 C ATOM 708 O ASP A 50 -8.125 1.241 6.056 1.00 0.00 O ATOM 709 CB ASP A 50 -9.938 2.848 4.736 1.00 0.00 C ATOM 710 CG ASP A 50 -11.024 1.797 4.845 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.706 0.597 4.705 1.00 0.00 O ATOM 712 OD2 ASP A 50 -12.195 2.172 5.070 1.00 0.00 O ATOM 0 H ASP A 50 -9.477 0.875 2.707 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.010 3.164 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.651 3.174 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.332 3.721 4.217 1.00 0.00 H new ATOM 717 N GLY A 51 -7.271 0.383 4.159 1.00 0.00 N ATOM 718 CA GLY A 51 -6.564 -0.676 4.854 1.00 0.00 C ATOM 719 C GLY A 51 -7.483 -1.805 5.280 1.00 0.00 C ATOM 720 O GLY A 51 -7.223 -2.486 6.271 1.00 0.00 O ATOM 0 H GLY A 51 -7.155 0.382 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.782 -1.073 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.070 -0.263 5.733 1.00 0.00 H new ATOM 724 N ALA A 52 -8.562 -2.002 4.528 1.00 0.00 N ATOM 725 CA ALA A 52 -9.523 -3.055 4.833 1.00 0.00 C ATOM 726 C ALA A 52 -10.179 -3.584 3.562 1.00 0.00 C ATOM 727 O ALA A 52 -10.652 -2.811 2.728 1.00 0.00 O ATOM 728 CB ALA A 52 -10.579 -2.541 5.801 1.00 0.00 C ATOM 0 H ALA A 52 -8.792 -1.446 3.704 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.986 -3.879 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.290 -3.337 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.099 -2.218 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.105 -1.698 5.352 1.00 0.00 H new ATOM 734 N VAL A 53 -10.204 -4.905 3.421 1.00 0.00 N ATOM 735 CA VAL A 53 -10.803 -5.537 2.251 1.00 0.00 C ATOM 736 C VAL A 53 -11.512 -6.832 2.630 1.00 0.00 C ATOM 737 O VAL A 53 -11.000 -7.625 3.419 1.00 0.00 O ATOM 738 CB VAL A 53 -9.746 -5.841 1.174 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.411 -6.311 -0.111 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.879 -4.617 0.916 1.00 0.00 C ATOM 0 H VAL A 53 -9.817 -5.558 4.102 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.529 -4.832 1.847 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.104 -6.643 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.648 -6.521 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.984 -7.217 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.078 -5.533 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.138 -4.851 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.505 -3.793 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.372 -4.329 1.837 1.00 0.00 H new ATOM 750 N ALA A 54 -12.696 -7.038 2.062 1.00 0.00 N ATOM 751 CA ALA A 54 -13.477 -8.237 2.339 1.00 0.00 C ATOM 752 C ALA A 54 -13.825 -8.337 3.820 1.00 0.00 C ATOM 753 O ALA A 54 -13.931 -9.432 4.371 1.00 0.00 O ATOM 754 CB ALA A 54 -12.720 -9.477 1.888 1.00 0.00 C ATOM 0 H ALA A 54 -13.135 -6.390 1.408 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.409 -8.170 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.316 -10.365 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.529 -9.417 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.772 -9.539 2.423 1.00 0.00 H new ATOM 760 N GLY A 55 -13.998 -7.185 4.461 1.00 0.00 N ATOM 761 CA GLY A 55 -14.331 -7.165 5.873 1.00 0.00 C ATOM 762 C GLY A 55 -13.164 -7.573 6.751 1.00 0.00 C ATOM 763 O GLY A 55 -13.356 -8.101 7.845 1.00 0.00 O ATOM 0 H GLY A 55 -13.913 -6.266 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.658 -6.163 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.170 -7.836 6.055 1.00 0.00 H new ATOM 767 N THR A 56 -11.950 -7.326 6.269 1.00 0.00 N ATOM 768 CA THR A 56 -10.746 -7.671 7.017 1.00 0.00 C ATOM 769 C THR A 56 -9.737 -6.528 6.976 1.00 0.00 C ATOM 770 O THR A 56 -9.110 -6.276 5.948 1.00 0.00 O ATOM 771 CB THR A 56 -10.116 -8.944 6.450 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.074 -9.983 6.367 1.00 0.00 O ATOM 773 CG2 THR A 56 -8.955 -9.455 7.275 1.00 0.00 C ATOM 0 H THR A 56 -11.774 -6.889 5.365 1.00 0.00 H new ATOM 0 HA THR A 56 -11.029 -7.846 8.055 1.00 0.00 H new ATOM 0 HB THR A 56 -9.746 -8.668 5.463 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.652 -10.788 6.001 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.554 -10.360 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.176 -8.694 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.298 -9.680 8.285 1.00 0.00 H new ATOM 781 N ARG A 57 -9.585 -5.841 8.103 1.00 0.00 N ATOM 782 CA ARG A 57 -8.650 -4.725 8.198 1.00 0.00 C ATOM 783 C ARG A 57 -7.280 -5.200 8.670 1.00 0.00 C ATOM 784 O ARG A 57 -7.159 -5.830 9.721 1.00 0.00 O ATOM 785 CB ARG A 57 -9.190 -3.659 9.153 1.00 0.00 C ATOM 786 CG ARG A 57 -8.292 -2.437 9.270 1.00 0.00 C ATOM 787 CD ARG A 57 -8.902 -1.227 8.583 1.00 0.00 C ATOM 788 NE ARG A 57 -10.185 -0.851 9.172 1.00 0.00 N ATOM 789 CZ ARG A 57 -10.752 0.343 9.016 1.00 0.00 C ATOM 790 NH1 ARG A 57 -10.153 1.280 8.290 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.921 0.603 9.584 1.00 0.00 N ATOM 0 H ARG A 57 -10.097 -6.037 8.963 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.541 -4.291 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.176 -3.344 8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.320 -4.100 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.120 -2.210 10.322 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.320 -2.655 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.212 -0.386 8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.039 -1.443 7.523 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.675 -1.545 9.736 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.254 1.086 7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.592 2.193 8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.387 -0.112 10.142 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.354 1.519 9.463 1.00 0.00 H new ATOM 805 N TYR A 58 -6.251 -4.893 7.887 1.00 0.00 N ATOM 806 CA TYR A 58 -4.889 -5.288 8.226 1.00 0.00 C ATOM 807 C TYR A 58 -4.186 -4.193 9.021 1.00 0.00 C ATOM 808 O TYR A 58 -3.342 -4.474 9.872 1.00 0.00 O ATOM 809 CB TYR A 58 -4.095 -5.601 6.956 1.00 0.00 C ATOM 810 CG TYR A 58 -4.831 -6.498 5.987 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.004 -7.849 6.256 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.353 -5.991 4.802 1.00 0.00 C ATOM 813 CE1 TYR A 58 -5.676 -8.672 5.372 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.027 -6.808 3.914 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.185 -8.147 4.202 1.00 0.00 C ATOM 816 OH TYR A 58 -6.855 -8.963 3.320 1.00 0.00 O ATOM 0 H TYR A 58 -6.334 -4.372 7.014 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.941 -6.184 8.844 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.845 -4.666 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.154 -6.075 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.607 -8.264 7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.230 -4.943 4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.802 -9.721 5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.428 -6.399 2.998 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.150 -8.437 2.547 1.00 0.00 H new ATOM 826 N PHE A 59 -4.542 -2.944 8.739 1.00 0.00 N ATOM 827 CA PHE A 59 -3.946 -1.805 9.427 1.00 0.00 C ATOM 828 C PHE A 59 -4.930 -0.642 9.506 1.00 0.00 C ATOM 829 O PHE A 59 -5.559 -0.281 8.511 1.00 0.00 O ATOM 830 CB PHE A 59 -2.669 -1.362 8.712 1.00 0.00 C ATOM 831 CG PHE A 59 -2.881 -1.027 7.263 1.00 0.00 C ATOM 832 CD1 PHE A 59 -2.862 -2.023 6.299 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.098 0.283 6.864 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.056 -1.718 4.965 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.292 0.593 5.532 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.271 -0.409 4.582 1.00 0.00 C ATOM 0 H PHE A 59 -5.240 -2.695 8.039 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.696 -2.115 10.442 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.260 -0.490 9.222 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.925 -2.155 8.789 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.694 -3.048 6.594 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.116 1.070 7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.039 -2.503 4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.460 1.617 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.423 -0.169 3.540 1.00 0.00 H new ATOM 846 N GLN A 60 -5.058 -0.061 10.694 1.00 0.00 N ATOM 847 CA GLN A 60 -5.966 1.061 10.901 1.00 0.00 C ATOM 848 C GLN A 60 -5.553 2.262 10.055 1.00 0.00 C ATOM 849 O GLN A 60 -4.420 2.737 10.145 1.00 0.00 O ATOM 850 CB GLN A 60 -5.997 1.452 12.380 1.00 0.00 C ATOM 851 CG GLN A 60 -7.066 2.478 12.716 1.00 0.00 C ATOM 852 CD GLN A 60 -8.454 2.029 12.301 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.980 1.044 12.817 1.00 0.00 O ATOM 854 NE2 GLN A 60 -9.054 2.753 11.362 1.00 0.00 N ATOM 0 H GLN A 60 -4.545 -0.348 11.527 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.964 0.749 10.592 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.163 0.557 12.980 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.022 1.850 12.663 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.056 2.670 13.789 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.829 3.420 12.221 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.580 3.563 10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.989 2.499 11.042 1.00 0.00 H new ATOM 863 N CYS A 61 -6.478 2.748 9.234 1.00 0.00 N ATOM 864 CA CYS A 61 -6.210 3.894 8.373 1.00 0.00 C ATOM 865 C CYS A 61 -7.498 4.655 8.064 1.00 0.00 C ATOM 866 O CYS A 61 -8.574 4.061 7.979 1.00 0.00 O ATOM 867 CB CYS A 61 -5.546 3.438 7.072 1.00 0.00 C ATOM 868 SG CYS A 61 -3.748 3.618 7.059 1.00 0.00 S ATOM 0 H CYS A 61 -7.420 2.366 9.147 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.532 4.564 8.901 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.797 2.392 6.896 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.964 4.010 6.244 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.202 2.498 6.689 1.00 0.00 H new ATOM 874 N PRO A 62 -7.406 5.984 7.894 1.00 0.00 N ATOM 875 CA PRO A 62 -8.569 6.824 7.594 1.00 0.00 C ATOM 876 C PRO A 62 -9.096 6.605 6.177 1.00 0.00 C ATOM 877 O PRO A 62 -8.338 6.252 5.274 1.00 0.00 O ATOM 878 CB PRO A 62 -8.029 8.247 7.750 1.00 0.00 C ATOM 879 CG PRO A 62 -6.569 8.129 7.477 1.00 0.00 C ATOM 880 CD PRO A 62 -6.161 6.771 7.979 1.00 0.00 C ATOM 0 HA PRO A 62 -9.412 6.599 8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.509 8.932 7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.215 8.633 8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.362 8.229 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.012 8.916 7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.370 6.338 7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.784 6.817 9.001 1.00 0.00 H new ATOM 888 N PRO A 63 -10.408 6.813 5.963 1.00 0.00 N ATOM 889 CA PRO A 63 -11.030 6.636 4.646 1.00 0.00 C ATOM 890 C PRO A 63 -10.355 7.479 3.570 1.00 0.00 C ATOM 891 O PRO A 63 -10.040 8.648 3.790 1.00 0.00 O ATOM 892 CB PRO A 63 -12.472 7.104 4.861 1.00 0.00 C ATOM 893 CG PRO A 63 -12.707 6.969 6.326 1.00 0.00 C ATOM 894 CD PRO A 63 -11.384 7.237 6.983 1.00 0.00 C ATOM 0 HA PRO A 63 -10.951 5.606 4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.605 8.135 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.174 6.495 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.463 7.677 6.667 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.070 5.971 6.573 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.267 8.290 7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.272 6.671 7.908 1.00 0.00 H new ATOM 902 N LYS A 64 -10.136 6.878 2.404 1.00 0.00 N ATOM 903 CA LYS A 64 -9.497 7.575 1.294 1.00 0.00 C ATOM 904 C LYS A 64 -8.076 7.991 1.661 1.00 0.00 C ATOM 905 O LYS A 64 -7.777 9.180 1.781 1.00 0.00 O ATOM 906 CB LYS A 64 -10.318 8.804 0.893 1.00 0.00 C ATOM 907 CG LYS A 64 -11.803 8.520 0.742 1.00 0.00 C ATOM 908 CD LYS A 64 -12.130 7.980 -0.642 1.00 0.00 C ATOM 909 CE LYS A 64 -12.384 6.481 -0.609 1.00 0.00 C ATOM 910 NZ LYS A 64 -13.161 6.024 -1.795 1.00 0.00 N ATOM 0 H LYS A 64 -10.392 5.911 2.204 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.448 6.891 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.180 9.583 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.934 9.196 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.115 7.799 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.369 9.434 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.009 8.491 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.306 8.196 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.432 5.952 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.926 6.224 0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.313 4.997 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.080 6.510 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.632 6.246 -2.663 1.00 0.00 H new ATOM 924 N PHE A 65 -7.205 7.003 1.837 1.00 0.00 N ATOM 925 CA PHE A 65 -5.815 7.264 2.191 1.00 0.00 C ATOM 926 C PHE A 65 -4.925 6.086 1.806 1.00 0.00 C ATOM 927 O PHE A 65 -3.850 6.267 1.238 1.00 0.00 O ATOM 928 CB PHE A 65 -5.692 7.542 3.690 1.00 0.00 C ATOM 929 CG PHE A 65 -5.835 8.995 4.044 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.740 9.842 4.004 1.00 0.00 C ATOM 931 CD2 PHE A 65 -7.065 9.512 4.417 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.869 11.179 4.329 1.00 0.00 C ATOM 933 CE2 PHE A 65 -7.200 10.848 4.744 1.00 0.00 C ATOM 934 CZ PHE A 65 -6.100 11.683 4.700 1.00 0.00 C ATOM 0 H PHE A 65 -7.437 6.015 1.740 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.484 8.143 1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.453 6.970 4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.723 7.185 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.775 9.453 3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.928 8.864 4.453 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.008 11.829 4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.164 11.239 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.203 12.727 4.955 1.00 0.00 H new ATOM 944 N GLY A 66 -5.385 4.877 2.118 1.00 0.00 N ATOM 945 CA GLY A 66 -4.619 3.688 1.796 1.00 0.00 C ATOM 946 C GLY A 66 -4.787 3.267 0.350 1.00 0.00 C ATOM 947 O GLY A 66 -5.852 3.456 -0.239 1.00 0.00 O ATOM 0 H GLY A 66 -6.273 4.701 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.564 3.873 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.929 2.871 2.448 1.00 0.00 H new ATOM 951 N LEU A 67 -3.734 2.697 -0.225 1.00 0.00 N ATOM 952 CA LEU A 67 -3.770 2.250 -1.612 1.00 0.00 C ATOM 953 C LEU A 67 -3.073 0.903 -1.769 1.00 0.00 C ATOM 954 O LEU A 67 -1.845 0.822 -1.746 1.00 0.00 O ATOM 955 CB LEU A 67 -3.110 3.289 -2.522 1.00 0.00 C ATOM 956 CG LEU A 67 -3.255 3.024 -4.021 1.00 0.00 C ATOM 957 CD1 LEU A 67 -4.711 3.139 -4.445 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.389 3.987 -4.817 1.00 0.00 C ATOM 0 H LEU A 67 -2.845 2.534 0.248 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.814 2.133 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.536 4.267 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.049 3.340 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.918 2.008 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.795 2.947 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.308 2.409 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.075 4.143 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.504 3.785 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.696 5.011 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.345 3.856 -4.534 1.00 0.00 H new ATOM 970 N PHE A 68 -3.865 -0.153 -1.930 1.00 0.00 N ATOM 971 CA PHE A 68 -3.323 -1.497 -2.091 1.00 0.00 C ATOM 972 C PHE A 68 -2.754 -1.689 -3.493 1.00 0.00 C ATOM 973 O PHE A 68 -3.381 -1.316 -4.485 1.00 0.00 O ATOM 974 CB PHE A 68 -4.408 -2.543 -1.822 1.00 0.00 C ATOM 975 CG PHE A 68 -4.812 -2.632 -0.379 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.977 -3.227 0.553 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.028 -2.121 0.047 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.347 -3.311 1.883 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.404 -2.201 1.375 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.561 -2.798 2.293 1.00 0.00 C ATOM 0 H PHE A 68 -4.884 -0.103 -1.952 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.516 -1.625 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.286 -2.306 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.050 -3.519 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.026 -3.630 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.690 -1.654 -0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.687 -3.777 2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.354 -1.798 1.694 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.852 -2.863 3.331 1.00 0.00 H new ATOM 990 N ALA A 69 -1.563 -2.274 -3.568 1.00 0.00 N ATOM 991 CA ALA A 69 -0.911 -2.517 -4.849 1.00 0.00 C ATOM 992 C ALA A 69 0.007 -3.735 -4.776 1.00 0.00 C ATOM 993 O ALA A 69 0.630 -3.990 -3.745 1.00 0.00 O ATOM 994 CB ALA A 69 -0.124 -1.288 -5.280 1.00 0.00 C ATOM 0 H ALA A 69 -1.030 -2.588 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.684 -2.721 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.358 -1.482 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.801 -0.439 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.635 -1.061 -4.531 1.00 0.00 H new ATOM 1000 N PRO A 70 0.104 -4.507 -5.873 1.00 0.00 N ATOM 1001 CA PRO A 70 0.954 -5.701 -5.922 1.00 0.00 C ATOM 1002 C PRO A 70 2.397 -5.396 -5.540 1.00 0.00 C ATOM 1003 O PRO A 70 2.923 -4.331 -5.862 1.00 0.00 O ATOM 1004 CB PRO A 70 0.872 -6.143 -7.385 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.409 -5.571 -7.886 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.602 -4.277 -7.146 1.00 0.00 C ATOM 0 HA PRO A 70 0.624 -6.463 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.722 -5.772 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.880 -7.230 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.367 -5.403 -8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.239 -6.253 -7.702 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.181 -3.434 -7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.658 -4.058 -6.987 1.00 0.00 H new ATOM 1014 N ILE A 71 3.033 -6.337 -4.849 1.00 0.00 N ATOM 1015 CA ILE A 71 4.417 -6.166 -4.422 1.00 0.00 C ATOM 1016 C ILE A 71 5.335 -5.907 -5.613 1.00 0.00 C ATOM 1017 O ILE A 71 6.158 -4.992 -5.587 1.00 0.00 O ATOM 1018 CB ILE A 71 4.921 -7.399 -3.643 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.342 -7.163 -3.126 1.00 0.00 C ATOM 1020 CG2 ILE A 71 4.870 -8.642 -4.519 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.573 -7.697 -1.730 1.00 0.00 C ATOM 0 H ILE A 71 2.613 -7.224 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 71 4.441 -5.299 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 71 4.266 -7.556 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.051 -7.633 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.551 -6.093 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.229 -9.501 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.843 -8.821 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.501 -8.496 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.601 -7.495 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.889 -7.209 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.396 -8.773 -1.718 1.00 0.00 H new ATOM 1033 N HIS A 72 5.186 -6.715 -6.659 1.00 0.00 N ATOM 1034 CA HIS A 72 6.003 -6.568 -7.859 1.00 0.00 C ATOM 1035 C HIS A 72 5.749 -5.224 -8.535 1.00 0.00 C ATOM 1036 O HIS A 72 6.589 -4.729 -9.286 1.00 0.00 O ATOM 1037 CB HIS A 72 5.719 -7.708 -8.839 1.00 0.00 C ATOM 1038 CG HIS A 72 4.259 -7.979 -9.038 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.524 -8.838 -8.253 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.395 -7.481 -9.960 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.265 -8.839 -8.711 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.134 -8.032 -9.745 1.00 0.00 N ATOM 0 H HIS A 72 4.509 -7.477 -6.700 1.00 0.00 H new ATOM 0 HA HIS A 72 7.050 -6.608 -7.559 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.170 -7.469 -9.802 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.202 -8.616 -8.477 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.645 -6.772 -10.735 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.462 -9.425 -8.288 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.284 -7.849 -10.278 1.00 0.00 H new ATOM 1050 N LYS A 73 4.585 -4.638 -8.267 1.00 0.00 N ATOM 1051 CA LYS A 73 4.225 -3.351 -8.851 1.00 0.00 C ATOM 1052 C LYS A 73 4.760 -2.194 -8.012 1.00 0.00 C ATOM 1053 O LYS A 73 4.918 -1.079 -8.508 1.00 0.00 O ATOM 1054 CB LYS A 73 2.705 -3.239 -8.986 1.00 0.00 C ATOM 1055 CG LYS A 73 2.117 -4.158 -10.043 1.00 0.00 C ATOM 1056 CD LYS A 73 2.527 -3.731 -11.444 1.00 0.00 C ATOM 1057 CE LYS A 73 2.934 -4.924 -12.295 1.00 0.00 C ATOM 1058 NZ LYS A 73 2.960 -4.589 -13.745 1.00 0.00 N ATOM 0 H LYS A 73 3.876 -5.034 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 73 4.679 -3.292 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.246 -3.466 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.445 -2.208 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.448 -5.181 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.030 -4.156 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.699 -3.207 -11.922 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.357 -3.027 -11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.920 -5.272 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.238 -5.746 -12.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.242 -5.429 -14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.014 -4.282 -14.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.643 -3.822 -13.912 1.00 0.00 H new ATOM 1072 N VAL A 74 5.036 -2.464 -6.738 1.00 0.00 N ATOM 1073 CA VAL A 74 5.551 -1.440 -5.837 1.00 0.00 C ATOM 1074 C VAL A 74 7.015 -1.129 -6.135 1.00 0.00 C ATOM 1075 O VAL A 74 7.772 -2.000 -6.561 1.00 0.00 O ATOM 1076 CB VAL A 74 5.417 -1.868 -4.364 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.818 -0.732 -3.435 1.00 0.00 C ATOM 1078 CG2 VAL A 74 3.997 -2.331 -4.070 1.00 0.00 C ATOM 0 H VAL A 74 4.912 -3.381 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 74 4.952 -0.544 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 74 6.093 -2.705 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.716 -1.056 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.854 -0.453 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.172 0.128 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.921 -2.630 -3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.301 -1.516 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.751 -3.180 -4.709 1.00 0.00 H new ATOM 1088 N ILE A 75 7.405 0.121 -5.905 1.00 0.00 N ATOM 1089 CA ILE A 75 8.778 0.550 -6.146 1.00 0.00 C ATOM 1090 C ILE A 75 9.337 1.303 -4.945 1.00 0.00 C ATOM 1091 O ILE A 75 8.680 2.185 -4.392 1.00 0.00 O ATOM 1092 CB ILE A 75 8.875 1.450 -7.393 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.139 0.810 -8.573 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.333 1.712 -7.746 1.00 0.00 C ATOM 1095 CD1 ILE A 75 6.839 1.502 -8.921 1.00 0.00 C ATOM 0 H ILE A 75 6.790 0.854 -5.552 1.00 0.00 H new ATOM 0 HA ILE A 75 9.367 -0.352 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 75 8.399 2.405 -7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.791 0.819 -9.446 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.934 -0.235 -8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.385 2.349 -8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.826 2.209 -6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.833 0.766 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.372 0.995 -9.766 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.168 1.470 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.039 2.540 -9.186 1.00 0.00 H new ATOM 1107 N ARG A 76 10.554 0.949 -4.545 1.00 0.00 N ATOM 1108 CA ARG A 76 11.202 1.592 -3.408 1.00 0.00 C ATOM 1109 C ARG A 76 11.987 2.823 -3.851 1.00 0.00 C ATOM 1110 O ARG A 76 12.880 2.730 -4.693 1.00 0.00 O ATOM 1111 CB ARG A 76 12.134 0.605 -2.701 1.00 0.00 C ATOM 1112 CG ARG A 76 12.107 0.718 -1.186 1.00 0.00 C ATOM 1113 CD ARG A 76 12.267 -0.640 -0.522 1.00 0.00 C ATOM 1114 NE ARG A 76 13.077 -0.565 0.691 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.368 -0.239 0.701 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.997 0.046 -0.432 1.00 0.00 N ATOM 1117 NH2 ARG A 76 15.031 -0.196 1.849 1.00 0.00 N ATOM 0 H ARG A 76 11.111 0.220 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 76 10.426 1.911 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.857 -0.410 -2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.154 0.767 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.906 1.382 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.166 1.170 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.284 -1.042 -0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.729 -1.334 -1.224 1.00 0.00 H new ATOM 0 HE ARG A 76 12.628 -0.775 1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.491 0.016 -1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.986 0.295 -0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.552 -0.413 2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.020 0.054 1.858 1.00 0.00 H new ATOM 1131 N ILE A 77 11.648 3.973 -3.278 1.00 0.00 N ATOM 1132 CA ILE A 77 12.321 5.222 -3.616 1.00 0.00 C ATOM 1133 C ILE A 77 13.173 5.719 -2.452 1.00 0.00 C ATOM 1134 O ILE A 77 14.192 6.379 -2.654 1.00 0.00 O ATOM 1135 CB ILE A 77 11.312 6.320 -4.003 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.203 6.422 -2.953 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.723 6.037 -5.377 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.873 7.846 -2.561 1.00 0.00 C ATOM 0 H ILE A 77 10.912 4.066 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 77 12.963 5.012 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 77 11.836 7.275 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.303 5.942 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.504 5.869 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.012 6.821 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.522 6.012 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.212 5.074 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.079 7.843 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.760 8.324 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.541 8.398 -3.440 1.00 0.00 H new ATOM 1150 N GLY A 78 12.749 5.398 -1.234 1.00 0.00 N ATOM 1151 CA GLY A 78 13.486 5.820 -0.057 1.00 0.00 C ATOM 1152 C GLY A 78 13.157 7.243 0.352 1.00 0.00 C ATOM 1153 O GLY A 78 12.364 7.466 1.267 1.00 0.00 O ATOM 0 H GLY A 78 11.908 4.853 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.262 5.146 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.555 5.739 -0.253 1.00 0.00 H new ATOM 1157 N SER A 79 13.769 8.208 -0.327 1.00 0.00 N ATOM 1158 CA SER A 79 13.539 9.616 -0.029 1.00 0.00 C ATOM 1159 C SER A 79 13.912 10.493 -1.221 1.00 0.00 C ATOM 1160 O SER A 79 14.989 11.088 -1.254 1.00 0.00 O ATOM 1161 CB SER A 79 14.344 10.037 1.201 1.00 0.00 C ATOM 1162 OG SER A 79 14.465 8.969 2.123 1.00 0.00 O ATOM 0 H SER A 79 14.428 8.040 -1.087 1.00 0.00 H new ATOM 0 HA SER A 79 12.477 9.749 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.335 10.370 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.858 10.885 1.684 1.00 0.00 H new ATOM 0 HG SER A 79 14.985 9.264 2.899 1.00 0.00 H new ATOM 1168 N GLY A 80 13.014 10.566 -2.199 1.00 0.00 N ATOM 1169 CA GLY A 80 13.267 11.372 -3.379 1.00 0.00 C ATOM 1170 C GLY A 80 13.273 12.860 -3.078 1.00 0.00 C ATOM 1171 O GLY A 80 13.359 13.258 -1.916 1.00 0.00 O ATOM 0 H GLY A 80 12.116 10.082 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.227 11.088 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.506 11.160 -4.130 1.00 0.00 H new ATOM 1175 N PRO A 81 13.182 13.712 -4.113 1.00 0.00 N ATOM 1176 CA PRO A 81 13.178 15.168 -3.939 1.00 0.00 C ATOM 1177 C PRO A 81 11.892 15.670 -3.290 1.00 0.00 C ATOM 1178 O PRO A 81 10.899 15.926 -3.971 1.00 0.00 O ATOM 1179 CB PRO A 81 13.295 15.698 -5.370 1.00 0.00 C ATOM 1180 CG PRO A 81 12.733 14.614 -6.222 1.00 0.00 C ATOM 1181 CD PRO A 81 13.076 13.323 -5.532 1.00 0.00 C ATOM 0 HA PRO A 81 13.980 15.501 -3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.740 16.628 -5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.332 15.909 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.654 14.723 -6.331 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.159 14.645 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.305 12.568 -5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.011 12.904 -5.905 1.00 0.00 H new ATOM 1189 N SER A 82 11.918 15.807 -1.968 1.00 0.00 N ATOM 1190 CA SER A 82 10.755 16.278 -1.226 1.00 0.00 C ATOM 1191 C SER A 82 11.106 16.526 0.237 1.00 0.00 C ATOM 1192 O SER A 82 12.243 16.312 0.659 1.00 0.00 O ATOM 1193 CB SER A 82 9.615 15.263 -1.323 1.00 0.00 C ATOM 1194 OG SER A 82 8.840 15.475 -2.491 1.00 0.00 O ATOM 0 H SER A 82 12.732 15.598 -1.389 1.00 0.00 H new ATOM 0 HA SER A 82 10.432 17.220 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.024 14.253 -1.333 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.979 15.341 -0.442 1.00 0.00 H new ATOM 0 HG SER A 82 9.435 15.632 -3.254 1.00 0.00 H new ATOM 1200 N SER A 83 10.123 16.978 1.009 1.00 0.00 N ATOM 1201 CA SER A 83 10.328 17.255 2.426 1.00 0.00 C ATOM 1202 C SER A 83 9.000 17.528 3.125 1.00 0.00 C ATOM 1203 O SER A 83 8.025 17.930 2.492 1.00 0.00 O ATOM 1204 CB SER A 83 11.267 18.450 2.602 1.00 0.00 C ATOM 1205 OG SER A 83 10.646 19.653 2.182 1.00 0.00 O ATOM 0 H SER A 83 9.176 17.160 0.677 1.00 0.00 H new ATOM 0 HA SER A 83 10.782 16.375 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.561 18.535 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.179 18.288 2.027 1.00 0.00 H new ATOM 0 HG SER A 83 11.266 20.402 2.306 1.00 0.00 H new ATOM 1211 N GLY A 84 8.972 17.306 4.435 1.00 0.00 N ATOM 1212 CA GLY A 84 7.760 17.534 5.199 1.00 0.00 C ATOM 1213 C GLY A 84 7.475 16.416 6.184 1.00 0.00 C ATOM 1214 O GLY A 84 7.198 16.721 7.363 1.00 0.00 O ATOM 1215 OXT GLY A 84 7.530 15.237 5.776 1.00 0.00 O ATOM 0 H GLY A 84 9.767 16.972 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.847 18.477 5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.917 17.635 4.515 1.00 0.00 H new TER 1219 GLY A 84