USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 : amide:sc= 1.03 K(o=2.5,f=-10!) USER MOD Set 1.2: A 26 GLN : amide:sc= 1.53! C(o=2.5!,f=-17!) USER MOD Set 1.3: A 30 LYS NZ :NH3+ 174:sc= -0.0882! (180deg=-0.942) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -11.7! C(o=-11!,f=-10!) USER MOD Set 2.2: A 38 THR OG1 : rot 103:sc= 1.11 USER MOD Single : A 5 ASN : amide:sc= -0.0871 K(o=-0.087,f=-3.7!) USER MOD Single : A 14 ASN : amide:sc= -2.62! C(o=-2.6!,f=-2.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -0.0154 (180deg=-0.251) USER MOD Single : A 41 ASN : amide:sc= -1.14! C(o=-1.1!,f=-8.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -14.4! C(o=-14!,f=-9.5!) USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= 0.851 (180deg=-1.64!) USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= 0.704 (180deg=0.031!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -9.37! C(o=-9.4!,f=-13!) USER MOD Single : A 75 MET CE :methyl -123:sc= -0.893 (180deg=-2.23!) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 0.907 (180deg=0.559) USER MOD Single : A 80 SER OG : rot -112:sc= -1.2 USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= 0.66 (180deg=0.646) USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0685) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ARG A 4 11.617 -3.526 -5.054 1.00 0.00 N ATOM 43 CA ARG A 4 11.000 -4.730 -4.414 1.00 0.00 C ATOM 44 C ARG A 4 9.709 -5.094 -5.146 1.00 0.00 C ATOM 45 O ARG A 4 8.805 -4.288 -5.242 1.00 0.00 O ATOM 46 CB ARG A 4 10.687 -4.317 -2.971 1.00 0.00 C ATOM 47 CG ARG A 4 11.975 -3.925 -2.242 1.00 0.00 C ATOM 48 CD ARG A 4 11.823 -2.509 -1.675 1.00 0.00 C ATOM 49 NE ARG A 4 12.698 -2.476 -0.468 1.00 0.00 N ATOM 50 CZ ARG A 4 12.389 -1.705 0.546 1.00 0.00 C ATOM 51 NH1 ARG A 4 12.063 -0.457 0.340 1.00 0.00 N ATOM 52 NH2 ARG A 4 12.393 -2.188 1.762 1.00 0.00 N ATOM 0 HA ARG A 4 11.660 -5.597 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.989 -3.479 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.200 -5.139 -2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.181 -4.631 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.822 -3.966 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.128 -1.758 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.786 -2.298 -1.415 1.00 0.00 H new ATOM 0 HE ARG A 4 13.538 -3.054 -0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.049 -0.084 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.822 0.144 1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.637 -3.165 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.152 -1.587 2.550 1.00 0.00 H new ATOM 66 N ASN A 5 9.616 -6.295 -5.662 1.00 0.00 N ATOM 67 CA ASN A 5 8.376 -6.701 -6.394 1.00 0.00 C ATOM 68 C ASN A 5 7.255 -7.030 -5.410 1.00 0.00 C ATOM 69 O ASN A 5 7.490 -7.587 -4.352 1.00 0.00 O ATOM 70 CB ASN A 5 8.758 -7.942 -7.202 1.00 0.00 C ATOM 71 CG ASN A 5 7.716 -8.171 -8.304 1.00 0.00 C ATOM 72 OD1 ASN A 5 7.374 -7.262 -9.030 1.00 0.00 O ATOM 73 ND2 ASN A 5 7.191 -9.350 -8.455 1.00 0.00 N ATOM 0 H ASN A 5 10.342 -7.009 -5.608 1.00 0.00 H new ATOM 0 HA ASN A 5 8.010 -5.900 -7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.747 -7.813 -7.642 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.811 -8.813 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.494 -9.508 -9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.476 -10.117 -7.846 1.00 0.00 H new ATOM 80 N PHE A 6 6.041 -6.686 -5.758 1.00 0.00 N ATOM 81 CA PHE A 6 4.877 -6.972 -4.864 1.00 0.00 C ATOM 82 C PHE A 6 3.685 -7.454 -5.703 1.00 0.00 C ATOM 83 O PHE A 6 3.538 -7.089 -6.856 1.00 0.00 O ATOM 84 CB PHE A 6 4.573 -5.643 -4.173 1.00 0.00 C ATOM 85 CG PHE A 6 5.574 -5.415 -3.061 1.00 0.00 C ATOM 86 CD1 PHE A 6 5.445 -6.110 -1.854 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.625 -4.509 -3.235 1.00 0.00 C ATOM 88 CE1 PHE A 6 6.364 -5.897 -0.819 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.546 -4.296 -2.202 1.00 0.00 C ATOM 90 CZ PHE A 6 7.414 -4.989 -0.992 1.00 0.00 C ATOM 0 H PHE A 6 5.804 -6.215 -6.631 1.00 0.00 H new ATOM 0 HA PHE A 6 5.084 -7.757 -4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.621 -4.826 -4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.560 -5.653 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.635 -6.812 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.726 -3.973 -4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.262 -6.434 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.358 -3.597 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.122 -4.823 -0.194 1.00 0.00 H new ATOM 100 N VAL A 7 2.858 -8.304 -5.147 1.00 0.00 N ATOM 101 CA VAL A 7 1.701 -8.859 -5.930 1.00 0.00 C ATOM 102 C VAL A 7 0.351 -8.650 -5.216 1.00 0.00 C ATOM 103 O VAL A 7 0.247 -8.793 -4.008 1.00 0.00 O ATOM 104 CB VAL A 7 2.017 -10.359 -6.041 1.00 0.00 C ATOM 105 CG1 VAL A 7 3.284 -10.552 -6.876 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.246 -10.957 -4.640 1.00 0.00 C ATOM 0 H VAL A 7 2.930 -8.640 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 7 1.596 -8.361 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 7 1.175 -10.863 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.509 -11.616 -6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.129 -10.138 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.118 -10.040 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.469 -12.020 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.083 -10.450 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.348 -10.825 -4.037 1.00 0.00 H new ATOM 116 N LEU A 8 -0.689 -8.314 -5.963 1.00 0.00 N ATOM 117 CA LEU A 8 -2.045 -8.105 -5.329 1.00 0.00 C ATOM 118 C LEU A 8 -3.192 -8.166 -6.381 1.00 0.00 C ATOM 119 O LEU A 8 -2.953 -8.146 -7.575 1.00 0.00 O ATOM 120 CB LEU A 8 -1.974 -6.722 -4.645 1.00 0.00 C ATOM 121 CG LEU A 8 -1.220 -5.706 -5.519 1.00 0.00 C ATOM 122 CD1 LEU A 8 -1.791 -4.304 -5.291 1.00 0.00 C ATOM 123 CD2 LEU A 8 0.266 -5.700 -5.143 1.00 0.00 C ATOM 0 H LEU A 8 -0.658 -8.177 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.272 -8.894 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.983 -6.359 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.476 -6.816 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.335 -5.988 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.254 -3.587 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.848 -4.294 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.678 -4.031 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.796 -4.979 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.375 -5.424 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.686 -6.693 -5.302 1.00 0.00 H new ATOM 135 N ARG A 9 -4.442 -8.255 -5.930 1.00 0.00 N ATOM 136 CA ARG A 9 -5.627 -8.328 -6.888 1.00 0.00 C ATOM 137 C ARG A 9 -6.806 -7.386 -6.470 1.00 0.00 C ATOM 138 O ARG A 9 -7.491 -7.646 -5.518 1.00 0.00 O ATOM 139 CB ARG A 9 -6.084 -9.786 -6.802 1.00 0.00 C ATOM 140 CG ARG A 9 -6.235 -10.369 -8.208 1.00 0.00 C ATOM 141 CD ARG A 9 -6.541 -11.867 -8.107 1.00 0.00 C ATOM 142 NE ARG A 9 -5.277 -12.489 -7.606 1.00 0.00 N ATOM 143 CZ ARG A 9 -4.520 -13.168 -8.420 1.00 0.00 C ATOM 144 NH1 ARG A 9 -4.775 -14.429 -8.634 1.00 0.00 N ATOM 145 NH2 ARG A 9 -3.516 -12.583 -9.014 1.00 0.00 N ATOM 0 H ARG A 9 -4.693 -8.280 -4.942 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.338 -8.009 -7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.361 -10.370 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.033 -9.848 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.036 -9.858 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.320 -10.211 -8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.370 -12.055 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.826 -12.278 -9.076 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.008 -12.382 -6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.563 -14.877 -8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.187 -14.967 -9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.325 -11.596 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.922 -13.113 -9.652 1.00 0.00 H new ATOM 159 N ASP A 10 -7.027 -6.305 -7.190 1.00 0.00 N ATOM 160 CA ASP A 10 -8.126 -5.310 -6.889 1.00 0.00 C ATOM 161 C ASP A 10 -9.489 -5.843 -7.271 1.00 0.00 C ATOM 162 O ASP A 10 -9.703 -7.040 -7.323 1.00 0.00 O ATOM 163 CB ASP A 10 -7.851 -4.099 -7.772 1.00 0.00 C ATOM 164 CG ASP A 10 -8.046 -2.809 -6.983 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.447 -2.681 -5.937 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.747 -1.950 -7.468 1.00 0.00 O ATOM 0 H ASP A 10 -6.469 -6.059 -8.008 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.132 -5.087 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.833 -4.146 -8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.519 -4.110 -8.633 1.00 0.00 H new ATOM 171 N GLU A 11 -10.440 -4.946 -7.476 1.00 0.00 N ATOM 172 CA GLU A 11 -11.825 -5.384 -7.798 1.00 0.00 C ATOM 173 C GLU A 11 -12.361 -5.974 -6.516 1.00 0.00 C ATOM 174 O GLU A 11 -12.917 -7.055 -6.454 1.00 0.00 O ATOM 175 CB GLU A 11 -11.733 -6.422 -8.932 1.00 0.00 C ATOM 176 CG GLU A 11 -12.118 -5.767 -10.263 1.00 0.00 C ATOM 177 CD GLU A 11 -11.037 -6.048 -11.307 1.00 0.00 C ATOM 178 OE1 GLU A 11 -10.990 -7.162 -11.800 1.00 0.00 O ATOM 179 OE2 GLU A 11 -10.274 -5.141 -11.598 1.00 0.00 O ATOM 0 H GLU A 11 -10.305 -3.936 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.484 -4.585 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.721 -6.821 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.395 -7.262 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.078 -6.154 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.237 -4.692 -10.129 1.00 0.00 H new ATOM 186 N ASP A 12 -12.165 -5.191 -5.483 1.00 0.00 N ATOM 187 CA ASP A 12 -12.596 -5.510 -4.122 1.00 0.00 C ATOM 188 C ASP A 12 -11.999 -6.811 -3.591 1.00 0.00 C ATOM 189 O ASP A 12 -12.399 -7.287 -2.547 1.00 0.00 O ATOM 190 CB ASP A 12 -14.080 -5.690 -4.241 1.00 0.00 C ATOM 191 CG ASP A 12 -14.792 -4.358 -4.532 1.00 0.00 C ATOM 192 OD1 ASP A 12 -14.199 -3.314 -4.309 1.00 0.00 O ATOM 193 OD2 ASP A 12 -15.930 -4.408 -4.970 1.00 0.00 O ATOM 0 H ASP A 12 -11.691 -4.291 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.280 -4.726 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.298 -6.401 -5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.470 -6.117 -3.317 1.00 0.00 H new ATOM 198 N GLY A 13 -11.071 -7.421 -4.273 1.00 0.00 N ATOM 199 CA GLY A 13 -10.522 -8.692 -3.721 1.00 0.00 C ATOM 200 C GLY A 13 -9.380 -8.351 -2.779 1.00 0.00 C ATOM 201 O GLY A 13 -9.513 -8.365 -1.572 1.00 0.00 O ATOM 0 H GLY A 13 -10.678 -7.109 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.299 -9.243 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.169 -9.335 -4.528 1.00 0.00 H new ATOM 205 N ASN A 14 -8.268 -8.008 -3.343 1.00 0.00 N ATOM 206 CA ASN A 14 -7.089 -7.594 -2.532 1.00 0.00 C ATOM 207 C ASN A 14 -6.727 -6.152 -2.909 1.00 0.00 C ATOM 208 O ASN A 14 -7.066 -5.206 -2.239 1.00 0.00 O ATOM 209 CB ASN A 14 -5.975 -8.572 -2.938 1.00 0.00 C ATOM 210 CG ASN A 14 -5.891 -9.766 -1.977 1.00 0.00 C ATOM 211 OD1 ASN A 14 -4.922 -10.497 -2.010 1.00 0.00 O ATOM 212 ND2 ASN A 14 -6.855 -10.018 -1.134 1.00 0.00 N ATOM 0 H ASN A 14 -8.117 -7.995 -4.352 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.262 -7.620 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.158 -8.932 -3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.019 -8.049 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.790 -10.823 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.673 -9.410 -1.098 1.00 0.00 H new ATOM 219 N GLU A 15 -6.060 -6.013 -4.028 1.00 0.00 N ATOM 220 CA GLU A 15 -5.661 -4.687 -4.572 1.00 0.00 C ATOM 221 C GLU A 15 -4.972 -4.896 -5.912 1.00 0.00 C ATOM 222 O GLU A 15 -4.219 -5.821 -6.060 1.00 0.00 O ATOM 223 CB GLU A 15 -4.688 -4.110 -3.563 1.00 0.00 C ATOM 224 CG GLU A 15 -4.688 -2.604 -3.703 1.00 0.00 C ATOM 225 CD GLU A 15 -5.664 -2.024 -2.697 1.00 0.00 C ATOM 226 OE1 GLU A 15 -5.244 -1.808 -1.580 1.00 0.00 O ATOM 227 OE2 GLU A 15 -6.814 -1.813 -3.056 1.00 0.00 O ATOM 0 H GLU A 15 -5.766 -6.800 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.510 -4.021 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.977 -4.396 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.687 -4.506 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.687 -2.208 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.974 -2.318 -4.715 1.00 0.00 H new ATOM 234 N HIS A 16 -5.187 -4.079 -6.905 1.00 0.00 N ATOM 235 CA HIS A 16 -4.463 -4.383 -8.185 1.00 0.00 C ATOM 236 C HIS A 16 -3.099 -3.767 -8.227 1.00 0.00 C ATOM 237 O HIS A 16 -2.902 -2.579 -8.104 1.00 0.00 O ATOM 238 CB HIS A 16 -5.275 -3.997 -9.419 1.00 0.00 C ATOM 239 CG HIS A 16 -5.767 -2.564 -9.449 1.00 0.00 C ATOM 240 ND1 HIS A 16 -6.048 -1.946 -10.674 1.00 0.00 N ATOM 241 CD2 HIS A 16 -6.058 -1.613 -8.480 1.00 0.00 C ATOM 242 CE1 HIS A 16 -6.479 -0.701 -10.423 1.00 0.00 C ATOM 243 NE2 HIS A 16 -6.494 -0.472 -9.127 1.00 0.00 N ATOM 0 H HIS A 16 -5.794 -3.259 -6.900 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.334 -5.465 -8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.664 -4.173 -10.305 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.137 -4.661 -9.489 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.943 -2.369 -11.596 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.961 -1.742 -7.412 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.772 0.013 -11.178 1.00 0.00 H new ATOM 252 N GLY A 17 -2.160 -4.618 -8.409 1.00 0.00 N ATOM 253 CA GLY A 17 -0.753 -4.179 -8.486 1.00 0.00 C ATOM 254 C GLY A 17 0.147 -5.367 -8.772 1.00 0.00 C ATOM 255 O GLY A 17 0.231 -6.298 -7.997 1.00 0.00 O ATOM 0 H GLY A 17 -2.303 -5.623 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.640 -3.430 -9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.459 -3.707 -7.549 1.00 0.00 H new ATOM 259 N VAL A 18 0.854 -5.327 -9.848 1.00 0.00 N ATOM 260 CA VAL A 18 1.797 -6.433 -10.148 1.00 0.00 C ATOM 261 C VAL A 18 3.085 -5.803 -10.673 1.00 0.00 C ATOM 262 O VAL A 18 3.313 -5.692 -11.864 1.00 0.00 O ATOM 263 CB VAL A 18 1.173 -7.287 -11.240 1.00 0.00 C ATOM 264 CG1 VAL A 18 1.157 -8.751 -10.797 1.00 0.00 C ATOM 265 CG2 VAL A 18 -0.260 -6.839 -11.566 1.00 0.00 C ATOM 0 H VAL A 18 0.825 -4.578 -10.539 1.00 0.00 H new ATOM 0 HA VAL A 18 2.004 -7.043 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 18 1.776 -7.170 -12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.710 -9.363 -11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.178 -9.087 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.572 -8.848 -9.882 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.670 -7.474 -12.351 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.879 -6.921 -10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.249 -5.804 -11.906 1.00 0.00 H new ATOM 275 N PHE A 19 3.903 -5.382 -9.776 1.00 0.00 N ATOM 276 CA PHE A 19 5.202 -4.723 -10.135 1.00 0.00 C ATOM 277 C PHE A 19 6.031 -4.457 -8.868 1.00 0.00 C ATOM 278 O PHE A 19 5.678 -4.886 -7.783 1.00 0.00 O ATOM 279 CB PHE A 19 4.890 -3.393 -10.872 1.00 0.00 C ATOM 280 CG PHE A 19 3.469 -2.892 -10.648 1.00 0.00 C ATOM 281 CD1 PHE A 19 2.886 -2.928 -9.375 1.00 0.00 C ATOM 282 CD2 PHE A 19 2.748 -2.365 -11.728 1.00 0.00 C ATOM 283 CE1 PHE A 19 1.586 -2.443 -9.186 1.00 0.00 C ATOM 284 CE2 PHE A 19 1.452 -1.875 -11.536 1.00 0.00 C ATOM 285 CZ PHE A 19 0.870 -1.914 -10.266 1.00 0.00 C ATOM 0 H PHE A 19 3.736 -5.462 -8.773 1.00 0.00 H new ATOM 0 HA PHE A 19 5.785 -5.375 -10.785 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.593 -2.629 -10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.053 -3.532 -11.941 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.439 -3.330 -8.539 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.194 -2.337 -12.711 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.135 -2.477 -8.205 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.901 -1.466 -12.370 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.131 -1.536 -10.118 1.00 0.00 H new ATOM 295 N THR A 20 7.139 -3.764 -9.003 1.00 0.00 N ATOM 296 CA THR A 20 8.011 -3.480 -7.818 1.00 0.00 C ATOM 297 C THR A 20 7.837 -2.044 -7.291 1.00 0.00 C ATOM 298 O THR A 20 7.560 -1.123 -8.037 1.00 0.00 O ATOM 299 CB THR A 20 9.443 -3.660 -8.339 1.00 0.00 C ATOM 300 OG1 THR A 20 9.628 -2.856 -9.499 1.00 0.00 O ATOM 301 CG2 THR A 20 9.696 -5.125 -8.699 1.00 0.00 C ATOM 0 H THR A 20 7.477 -3.382 -9.886 1.00 0.00 H new ATOM 0 HA THR A 20 7.760 -4.140 -6.987 1.00 0.00 H new ATOM 0 HB THR A 20 10.143 -3.358 -7.560 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.543 -2.968 -9.832 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.716 -5.238 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.559 -5.746 -7.814 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.994 -5.436 -9.473 1.00 0.00 H new ATOM 309 N GLY A 21 8.042 -1.853 -6.007 1.00 0.00 N ATOM 310 CA GLY A 21 7.937 -0.485 -5.404 1.00 0.00 C ATOM 311 C GLY A 21 9.190 -0.222 -4.561 1.00 0.00 C ATOM 312 O GLY A 21 9.483 -0.957 -3.633 1.00 0.00 O ATOM 0 H GLY A 21 8.279 -2.593 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.844 0.267 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.043 -0.413 -4.785 1.00 0.00 H new ATOM 316 N LYS A 22 9.933 0.816 -4.876 1.00 0.00 N ATOM 317 CA LYS A 22 11.171 1.133 -4.090 1.00 0.00 C ATOM 318 C LYS A 22 10.829 1.232 -2.599 1.00 0.00 C ATOM 319 O LYS A 22 11.519 0.689 -1.754 1.00 0.00 O ATOM 320 CB LYS A 22 11.655 2.491 -4.617 1.00 0.00 C ATOM 321 CG LYS A 22 12.540 2.285 -5.853 1.00 0.00 C ATOM 322 CD LYS A 22 13.271 3.592 -6.186 1.00 0.00 C ATOM 323 CE LYS A 22 14.785 3.408 -5.993 1.00 0.00 C ATOM 324 NZ LYS A 22 15.376 3.360 -7.368 1.00 0.00 N ATOM 0 H LYS A 22 9.735 1.457 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 22 11.935 0.364 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.800 3.118 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.214 3.014 -3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.262 1.490 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.931 1.971 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.060 3.885 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.909 4.395 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.207 4.231 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.999 2.491 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.406 3.236 -7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.966 2.563 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.167 4.248 -7.867 1.00 0.00 H new ATOM 338 N GLN A 23 9.760 1.908 -2.276 1.00 0.00 N ATOM 339 CA GLN A 23 9.346 2.034 -0.851 1.00 0.00 C ATOM 340 C GLN A 23 7.969 1.390 -0.678 1.00 0.00 C ATOM 341 O GLN A 23 7.094 1.602 -1.488 1.00 0.00 O ATOM 342 CB GLN A 23 9.278 3.541 -0.580 1.00 0.00 C ATOM 343 CG GLN A 23 10.385 3.941 0.401 1.00 0.00 C ATOM 344 CD GLN A 23 11.277 5.004 -0.242 1.00 0.00 C ATOM 345 OE1 GLN A 23 10.930 6.169 -0.259 1.00 0.00 O ATOM 346 NE2 GLN A 23 12.412 4.653 -0.782 1.00 0.00 N ATOM 0 H GLN A 23 9.152 2.382 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 23 10.033 1.541 -0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.389 4.093 -1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.303 3.803 -0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.948 4.327 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.979 3.068 0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.703 3.675 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.008 5.356 -1.218 1.00 0.00 H new ATOM 355 N PRO A 24 7.812 0.619 0.364 1.00 0.00 N ATOM 356 CA PRO A 24 6.512 -0.051 0.604 1.00 0.00 C ATOM 357 C PRO A 24 5.436 0.973 0.991 1.00 0.00 C ATOM 358 O PRO A 24 4.324 0.924 0.499 1.00 0.00 O ATOM 359 CB PRO A 24 6.808 -1.010 1.755 1.00 0.00 C ATOM 360 CG PRO A 24 7.993 -0.421 2.453 1.00 0.00 C ATOM 361 CD PRO A 24 8.800 0.299 1.404 1.00 0.00 C ATOM 0 HA PRO A 24 6.126 -0.564 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.955 -1.094 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.024 -2.013 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.678 0.266 3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.587 -1.200 2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.265 1.199 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.602 -0.328 1.015 1.00 0.00 H new ATOM 369 N ARG A 25 5.757 1.885 1.876 1.00 0.00 N ATOM 370 CA ARG A 25 4.750 2.902 2.312 1.00 0.00 C ATOM 371 C ARG A 25 4.667 4.068 1.311 1.00 0.00 C ATOM 372 O ARG A 25 3.648 4.272 0.683 1.00 0.00 O ATOM 373 CB ARG A 25 5.245 3.393 3.680 1.00 0.00 C ATOM 374 CG ARG A 25 5.009 2.311 4.746 1.00 0.00 C ATOM 375 CD ARG A 25 6.101 2.400 5.823 1.00 0.00 C ATOM 376 NE ARG A 25 5.623 1.548 6.959 1.00 0.00 N ATOM 377 CZ ARG A 25 6.205 1.629 8.129 1.00 0.00 C ATOM 378 NH1 ARG A 25 6.164 2.753 8.800 1.00 0.00 N ATOM 379 NH2 ARG A 25 6.841 0.595 8.616 1.00 0.00 N ATOM 0 H ARG A 25 6.674 1.969 2.316 1.00 0.00 H new ATOM 0 HA ARG A 25 3.747 2.478 2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.306 3.636 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.722 4.308 3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.026 2.441 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.019 1.324 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.057 2.042 5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.251 3.431 6.143 1.00 0.00 H new ATOM 0 HE ARG A 25 4.844 0.905 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.680 3.562 8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.616 2.819 9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.884 -0.274 8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.294 0.658 9.527 1.00 0.00 H new ATOM 393 N GLN A 26 5.724 4.836 1.162 1.00 0.00 N ATOM 394 CA GLN A 26 5.706 6.006 0.207 1.00 0.00 C ATOM 395 C GLN A 26 5.126 5.621 -1.154 1.00 0.00 C ATOM 396 O GLN A 26 4.320 6.347 -1.716 1.00 0.00 O ATOM 397 CB GLN A 26 7.180 6.423 0.057 1.00 0.00 C ATOM 398 CG GLN A 26 7.276 7.909 -0.315 1.00 0.00 C ATOM 399 CD GLN A 26 8.016 8.079 -1.651 1.00 0.00 C ATOM 400 OE1 GLN A 26 7.515 8.730 -2.550 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.192 7.537 -1.822 1.00 0.00 N ATOM 0 H GLN A 26 6.604 4.706 1.661 1.00 0.00 H new ATOM 0 HA GLN A 26 5.077 6.811 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.714 6.239 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.661 5.817 -0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.276 8.338 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.800 8.454 0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.616 6.991 -1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.687 7.660 -2.706 1.00 0.00 H new ATOM 410 N ALA A 27 5.524 4.506 -1.699 1.00 0.00 N ATOM 411 CA ALA A 27 4.986 4.117 -3.022 1.00 0.00 C ATOM 412 C ALA A 27 3.529 3.646 -2.897 1.00 0.00 C ATOM 413 O ALA A 27 2.820 3.599 -3.873 1.00 0.00 O ATOM 414 CB ALA A 27 5.902 2.992 -3.491 1.00 0.00 C ATOM 0 H ALA A 27 6.193 3.855 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 27 4.969 4.946 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.575 2.641 -4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.925 3.361 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.861 2.169 -2.778 1.00 0.00 H new ATOM 420 N ALA A 28 3.070 3.302 -1.712 1.00 0.00 N ATOM 421 CA ALA A 28 1.652 2.839 -1.564 1.00 0.00 C ATOM 422 C ALA A 28 0.662 3.989 -1.723 1.00 0.00 C ATOM 423 O ALA A 28 -0.273 3.898 -2.499 1.00 0.00 O ATOM 424 CB ALA A 28 1.548 2.266 -0.149 1.00 0.00 C ATOM 0 H ALA A 28 3.613 3.322 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 28 1.408 2.106 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.533 1.908 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.248 1.438 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.788 3.043 0.577 1.00 0.00 H new ATOM 430 N LEU A 29 0.844 5.057 -0.986 1.00 0.00 N ATOM 431 CA LEU A 29 -0.109 6.207 -1.086 1.00 0.00 C ATOM 432 C LEU A 29 -0.255 6.629 -2.550 1.00 0.00 C ATOM 433 O LEU A 29 -1.336 6.664 -3.102 1.00 0.00 O ATOM 434 CB LEU A 29 0.504 7.368 -0.270 1.00 0.00 C ATOM 435 CG LEU A 29 0.875 6.971 1.182 1.00 0.00 C ATOM 436 CD1 LEU A 29 0.200 5.667 1.628 1.00 0.00 C ATOM 437 CD2 LEU A 29 2.393 6.814 1.291 1.00 0.00 C ATOM 0 H LEU A 29 1.608 5.183 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.094 5.936 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.397 7.729 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.204 8.197 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 29 0.518 7.765 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.495 5.436 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.883 5.783 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.508 4.854 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.658 6.535 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.729 6.038 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.876 7.758 1.036 1.00 0.00 H new ATOM 449 N LYS A 30 0.834 6.965 -3.176 1.00 0.00 N ATOM 450 CA LYS A 30 0.758 7.419 -4.615 1.00 0.00 C ATOM 451 C LYS A 30 0.392 6.275 -5.597 1.00 0.00 C ATOM 452 O LYS A 30 -0.274 6.501 -6.607 1.00 0.00 O ATOM 453 CB LYS A 30 2.150 7.969 -4.929 1.00 0.00 C ATOM 454 CG LYS A 30 2.304 9.349 -4.282 1.00 0.00 C ATOM 455 CD LYS A 30 3.682 9.924 -4.607 1.00 0.00 C ATOM 456 CE LYS A 30 4.691 9.459 -3.552 1.00 0.00 C ATOM 457 NZ LYS A 30 6.023 9.584 -4.207 1.00 0.00 N ATOM 0 H LYS A 30 1.770 6.950 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.033 8.159 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.916 7.290 -4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.291 8.042 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.525 10.020 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.178 9.270 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.999 9.598 -5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.638 11.013 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.634 10.074 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.497 8.431 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.771 9.381 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.087 8.908 -4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.142 10.551 -4.571 1.00 0.00 H new ATOM 471 N ALA A 31 0.833 5.067 -5.341 1.00 0.00 N ATOM 472 CA ALA A 31 0.529 3.944 -6.291 1.00 0.00 C ATOM 473 C ALA A 31 -0.970 3.729 -6.465 1.00 0.00 C ATOM 474 O ALA A 31 -1.443 3.527 -7.574 1.00 0.00 O ATOM 475 CB ALA A 31 1.168 2.691 -5.689 1.00 0.00 C ATOM 0 H ALA A 31 1.386 4.809 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 31 0.923 4.175 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.979 1.837 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.243 2.842 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.738 2.500 -4.706 1.00 0.00 H new ATOM 481 N ALA A 32 -1.731 3.753 -5.403 1.00 0.00 N ATOM 482 CA ALA A 32 -3.201 3.525 -5.569 1.00 0.00 C ATOM 483 C ALA A 32 -3.813 4.652 -6.363 1.00 0.00 C ATOM 484 O ALA A 32 -4.741 4.433 -7.115 1.00 0.00 O ATOM 485 CB ALA A 32 -3.800 3.488 -4.179 1.00 0.00 C ATOM 0 H ALA A 32 -1.411 3.916 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.393 2.595 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.875 3.323 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.346 2.678 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.611 4.436 -3.676 1.00 0.00 H new ATOM 491 N ASN A 33 -3.282 5.848 -6.215 1.00 0.00 N ATOM 492 CA ASN A 33 -3.823 7.013 -6.975 1.00 0.00 C ATOM 493 C ASN A 33 -4.158 6.562 -8.385 1.00 0.00 C ATOM 494 O ASN A 33 -5.249 6.798 -8.886 1.00 0.00 O ATOM 495 CB ASN A 33 -2.699 8.059 -6.999 1.00 0.00 C ATOM 496 CG ASN A 33 -3.196 9.342 -7.676 1.00 0.00 C ATOM 497 OD1 ASN A 33 -4.108 9.980 -7.192 1.00 0.00 O ATOM 498 ND2 ASN A 33 -2.634 9.753 -8.780 1.00 0.00 N ATOM 0 H ASN A 33 -2.497 6.061 -5.599 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.727 7.423 -6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.371 8.277 -5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.835 7.666 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.962 10.607 -9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.867 9.220 -9.191 1.00 0.00 H new ATOM 505 N ARG A 34 -3.226 5.905 -9.026 1.00 0.00 N ATOM 506 CA ARG A 34 -3.495 5.428 -10.408 1.00 0.00 C ATOM 507 C ARG A 34 -4.003 3.965 -10.458 1.00 0.00 C ATOM 508 O ARG A 34 -5.153 3.715 -10.760 1.00 0.00 O ATOM 509 CB ARG A 34 -2.151 5.556 -11.135 1.00 0.00 C ATOM 510 CG ARG A 34 -1.691 7.018 -11.118 1.00 0.00 C ATOM 511 CD ARG A 34 -0.917 7.331 -12.403 1.00 0.00 C ATOM 512 NE ARG A 34 0.477 6.866 -12.143 1.00 0.00 N ATOM 513 CZ ARG A 34 0.940 5.816 -12.760 1.00 0.00 C ATOM 514 NH1 ARG A 34 1.413 5.933 -13.971 1.00 0.00 N ATOM 515 NH2 ARG A 34 0.927 4.656 -12.162 1.00 0.00 N ATOM 0 H ARG A 34 -2.302 5.682 -8.655 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.289 6.016 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.405 4.924 -10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.248 5.207 -12.163 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.553 7.679 -11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.060 7.201 -10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.351 6.815 -13.260 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.941 8.397 -12.627 1.00 0.00 H new ATOM 0 HE ARG A 34 1.068 7.370 -11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.419 6.844 -14.430 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.777 5.114 -14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.555 4.574 -11.216 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.288 3.831 -12.641 1.00 0.00 H new ATOM 529 N GLY A 35 -3.128 3.002 -10.253 1.00 0.00 N ATOM 530 CA GLY A 35 -3.528 1.558 -10.383 1.00 0.00 C ATOM 531 C GLY A 35 -3.513 0.717 -9.096 1.00 0.00 C ATOM 532 O GLY A 35 -3.777 -0.456 -9.179 1.00 0.00 O ATOM 0 H GLY A 35 -2.152 3.155 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.534 1.520 -10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.863 1.085 -11.106 1.00 0.00 H new ATOM 536 N SER A 36 -3.171 1.218 -7.941 1.00 0.00 N ATOM 537 CA SER A 36 -3.129 0.295 -6.752 1.00 0.00 C ATOM 538 C SER A 36 -4.494 0.212 -6.082 1.00 0.00 C ATOM 539 O SER A 36 -4.645 -0.378 -5.045 1.00 0.00 O ATOM 540 CB SER A 36 -2.055 0.829 -5.804 1.00 0.00 C ATOM 541 OG SER A 36 -1.013 -0.137 -5.683 1.00 0.00 O ATOM 0 H SER A 36 -2.925 2.192 -7.762 1.00 0.00 H new ATOM 0 HA SER A 36 -2.881 -0.722 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.653 1.769 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.488 1.039 -4.826 1.00 0.00 H new ATOM 0 HG SER A 36 -0.321 0.202 -5.077 1.00 0.00 H new ATOM 547 N GLY A 37 -5.476 0.847 -6.646 1.00 0.00 N ATOM 548 CA GLY A 37 -6.824 0.842 -6.030 1.00 0.00 C ATOM 549 C GLY A 37 -7.839 1.365 -7.049 1.00 0.00 C ATOM 550 O GLY A 37 -7.725 2.494 -7.483 1.00 0.00 O ATOM 0 H GLY A 37 -5.401 1.374 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.091 -0.167 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.832 1.466 -5.136 1.00 0.00 H new ATOM 554 N THR A 38 -8.821 0.591 -7.476 1.00 0.00 N ATOM 555 CA THR A 38 -9.763 1.159 -8.480 1.00 0.00 C ATOM 556 C THR A 38 -10.764 2.078 -7.784 1.00 0.00 C ATOM 557 O THR A 38 -11.444 2.869 -8.415 1.00 0.00 O ATOM 558 CB THR A 38 -10.445 -0.045 -9.136 1.00 0.00 C ATOM 559 OG1 THR A 38 -9.443 -0.943 -9.591 1.00 0.00 O ATOM 560 CG2 THR A 38 -11.293 0.412 -10.326 1.00 0.00 C ATOM 0 H THR A 38 -8.999 -0.369 -7.182 1.00 0.00 H new ATOM 0 HA THR A 38 -9.260 1.766 -9.233 1.00 0.00 H new ATOM 0 HB THR A 38 -11.093 -0.536 -8.410 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.371 -1.696 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.773 -0.453 -10.784 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.056 1.111 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.655 0.904 -11.060 1.00 0.00 H new ATOM 568 N LYS A 39 -10.871 1.946 -6.485 1.00 0.00 N ATOM 569 CA LYS A 39 -11.826 2.754 -5.673 1.00 0.00 C ATOM 570 C LYS A 39 -13.225 2.234 -5.940 1.00 0.00 C ATOM 571 O LYS A 39 -13.906 1.777 -5.046 1.00 0.00 O ATOM 572 CB LYS A 39 -11.695 4.223 -6.082 1.00 0.00 C ATOM 573 CG LYS A 39 -12.559 5.072 -5.139 1.00 0.00 C ATOM 574 CD LYS A 39 -13.417 6.045 -5.952 1.00 0.00 C ATOM 575 CE LYS A 39 -14.653 6.445 -5.135 1.00 0.00 C ATOM 576 NZ LYS A 39 -15.603 5.295 -5.257 1.00 0.00 N ATOM 0 H LYS A 39 -10.315 1.288 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.614 2.673 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.653 4.539 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.017 4.358 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.198 4.426 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.923 5.625 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.836 6.931 -6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.723 5.581 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.392 6.629 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.097 7.363 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.580 5.642 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.472 4.833 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.418 4.609 -4.497 1.00 0.00 H new ATOM 590 N ALA A 40 -13.626 2.227 -7.182 1.00 0.00 N ATOM 591 CA ALA A 40 -14.939 1.633 -7.513 1.00 0.00 C ATOM 592 C ALA A 40 -14.814 0.129 -7.236 1.00 0.00 C ATOM 593 O ALA A 40 -15.796 -0.568 -7.063 1.00 0.00 O ATOM 594 CB ALA A 40 -15.156 1.904 -9.004 1.00 0.00 C ATOM 0 H ALA A 40 -13.102 2.605 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.773 2.037 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.115 1.488 -9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.153 2.979 -9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.356 1.438 -9.579 1.00 0.00 H new ATOM 600 N ASN A 41 -13.584 -0.367 -7.178 1.00 0.00 N ATOM 601 CA ASN A 41 -13.357 -1.810 -6.895 1.00 0.00 C ATOM 602 C ASN A 41 -11.918 -2.065 -6.396 1.00 0.00 C ATOM 603 O ASN A 41 -11.155 -2.700 -7.076 1.00 0.00 O ATOM 604 CB ASN A 41 -13.506 -2.443 -8.274 1.00 0.00 C ATOM 605 CG ASN A 41 -14.623 -3.495 -8.267 1.00 0.00 C ATOM 606 OD1 ASN A 41 -14.467 -4.568 -8.806 1.00 0.00 O ATOM 607 ND2 ASN A 41 -15.759 -3.221 -7.687 1.00 0.00 N ATOM 0 H ASN A 41 -12.735 0.181 -7.317 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.032 -2.196 -6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.729 -1.672 -9.012 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.565 -2.906 -8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.512 -3.909 -7.689 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.895 -2.318 -7.232 1.00 0.00 H new ATOM 614 N PRO A 42 -11.595 -1.595 -5.222 1.00 0.00 N ATOM 615 CA PRO A 42 -10.258 -1.813 -4.619 1.00 0.00 C ATOM 616 C PRO A 42 -10.409 -2.636 -3.325 1.00 0.00 C ATOM 617 O PRO A 42 -11.509 -3.001 -2.972 1.00 0.00 O ATOM 618 CB PRO A 42 -9.921 -0.408 -4.221 1.00 0.00 C ATOM 619 CG PRO A 42 -11.282 0.234 -3.939 1.00 0.00 C ATOM 620 CD PRO A 42 -12.361 -0.747 -4.354 1.00 0.00 C ATOM 0 HA PRO A 42 -9.542 -2.322 -5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.279 -0.386 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.390 0.115 -5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.376 0.478 -2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.384 1.168 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.783 -1.288 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.191 -0.263 -4.868 1.00 0.00 H new ATOM 628 N ASP A 43 -9.359 -2.879 -2.558 1.00 0.00 N ATOM 629 CA ASP A 43 -9.610 -3.630 -1.267 1.00 0.00 C ATOM 630 C ASP A 43 -8.408 -3.626 -0.316 1.00 0.00 C ATOM 631 O ASP A 43 -7.406 -2.989 -0.552 1.00 0.00 O ATOM 632 CB ASP A 43 -9.974 -5.061 -1.664 1.00 0.00 C ATOM 633 CG ASP A 43 -10.911 -5.646 -0.595 1.00 0.00 C ATOM 634 OD1 ASP A 43 -12.096 -5.358 -0.643 1.00 0.00 O ATOM 635 OD2 ASP A 43 -10.419 -6.337 0.280 1.00 0.00 O ATOM 0 H ASP A 43 -8.394 -2.610 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.410 -3.138 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.461 -5.070 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.074 -5.669 -1.751 1.00 0.00 H new ATOM 640 N ILE A 44 -8.511 -4.359 0.767 1.00 0.00 N ATOM 641 CA ILE A 44 -7.380 -4.446 1.737 1.00 0.00 C ATOM 642 C ILE A 44 -6.391 -5.477 1.188 1.00 0.00 C ATOM 643 O ILE A 44 -6.795 -6.510 0.680 1.00 0.00 O ATOM 644 CB ILE A 44 -8.005 -4.903 3.070 1.00 0.00 C ATOM 645 CG1 ILE A 44 -8.497 -6.355 2.966 1.00 0.00 C ATOM 646 CG2 ILE A 44 -9.199 -4.007 3.411 1.00 0.00 C ATOM 647 CD1 ILE A 44 -7.545 -7.277 3.732 1.00 0.00 C ATOM 0 H ILE A 44 -9.336 -4.903 1.020 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.847 -3.507 1.885 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.244 -4.834 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.505 -6.438 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.549 -6.658 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.640 -4.331 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.864 -2.974 3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.944 -4.077 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.896 -8.306 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.545 -7.203 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.515 -6.980 4.780 1.00 0.00 H new ATOM 659 N ILE A 45 -5.112 -5.213 1.222 1.00 0.00 N ATOM 660 CA ILE A 45 -4.184 -6.213 0.624 1.00 0.00 C ATOM 661 C ILE A 45 -2.826 -6.290 1.307 1.00 0.00 C ATOM 662 O ILE A 45 -2.177 -5.294 1.596 1.00 0.00 O ATOM 663 CB ILE A 45 -3.988 -5.734 -0.823 1.00 0.00 C ATOM 664 CG1 ILE A 45 -2.914 -6.578 -1.530 1.00 0.00 C ATOM 665 CG2 ILE A 45 -3.530 -4.270 -0.821 1.00 0.00 C ATOM 666 CD1 ILE A 45 -3.241 -8.071 -1.418 1.00 0.00 C ATOM 0 H ILE A 45 -4.682 -4.379 1.623 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.609 -7.212 0.722 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.936 -5.837 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.852 -6.292 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.938 -6.380 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.391 -3.931 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.285 -3.653 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.588 -4.184 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.470 -8.651 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.279 -8.357 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.207 -8.268 -1.883 1.00 0.00 H new ATOM 678 N ARG A 46 -2.345 -7.489 1.458 1.00 0.00 N ATOM 679 CA ARG A 46 -0.984 -7.668 1.984 1.00 0.00 C ATOM 680 C ARG A 46 -0.098 -7.639 0.742 1.00 0.00 C ATOM 681 O ARG A 46 0.054 -8.640 0.066 1.00 0.00 O ATOM 682 CB ARG A 46 -0.956 -9.052 2.647 1.00 0.00 C ATOM 683 CG ARG A 46 -1.491 -8.960 4.077 1.00 0.00 C ATOM 684 CD ARG A 46 -1.380 -10.334 4.751 1.00 0.00 C ATOM 685 NE ARG A 46 -1.668 -10.083 6.193 1.00 0.00 N ATOM 686 CZ ARG A 46 -0.710 -10.162 7.077 1.00 0.00 C ATOM 687 NH1 ARG A 46 0.385 -9.475 6.908 1.00 0.00 N ATOM 688 NH2 ARG A 46 -0.852 -10.917 8.133 1.00 0.00 N ATOM 0 H ARG A 46 -2.844 -8.351 1.237 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.663 -6.921 2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.559 -9.753 2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.063 -9.439 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.926 -8.219 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.530 -8.630 4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.091 -11.041 4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.386 -10.760 4.616 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.616 -9.849 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.491 -8.878 6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.135 -9.534 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.713 -11.447 8.269 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.102 -10.977 8.822 1.00 0.00 H new ATOM 702 N LEU A 47 0.454 -6.501 0.408 1.00 0.00 N ATOM 703 CA LEU A 47 1.295 -6.430 -0.820 1.00 0.00 C ATOM 704 C LEU A 47 2.520 -7.278 -0.566 1.00 0.00 C ATOM 705 O LEU A 47 3.489 -6.845 0.024 1.00 0.00 O ATOM 706 CB LEU A 47 1.667 -4.952 -0.990 1.00 0.00 C ATOM 707 CG LEU A 47 1.295 -4.479 -2.396 1.00 0.00 C ATOM 708 CD1 LEU A 47 -0.177 -4.059 -2.420 1.00 0.00 C ATOM 709 CD2 LEU A 47 2.166 -3.282 -2.786 1.00 0.00 C ATOM 0 H LEU A 47 0.360 -5.628 0.927 1.00 0.00 H new ATOM 0 HA LEU A 47 0.796 -6.792 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.147 -4.349 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.735 -4.815 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 47 1.458 -5.293 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.443 -3.722 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.802 -4.908 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.335 -3.247 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.898 -2.948 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.006 -2.469 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.216 -3.575 -2.770 1.00 0.00 H new ATOM 721 N ARG A 48 2.450 -8.510 -0.961 1.00 0.00 N ATOM 722 CA ARG A 48 3.574 -9.438 -0.696 1.00 0.00 C ATOM 723 C ARG A 48 4.198 -9.944 -2.006 1.00 0.00 C ATOM 724 O ARG A 48 3.906 -9.439 -3.070 1.00 0.00 O ATOM 725 CB ARG A 48 2.943 -10.586 0.107 1.00 0.00 C ATOM 726 CG ARG A 48 1.901 -11.324 -0.741 1.00 0.00 C ATOM 727 CD ARG A 48 2.544 -12.564 -1.358 1.00 0.00 C ATOM 728 NE ARG A 48 1.420 -13.516 -1.585 1.00 0.00 N ATOM 729 CZ ARG A 48 1.355 -14.629 -0.900 1.00 0.00 C ATOM 730 NH1 ARG A 48 2.442 -15.308 -0.652 1.00 0.00 N ATOM 731 NH2 ARG A 48 0.205 -15.058 -0.451 1.00 0.00 N ATOM 0 H ARG A 48 1.659 -8.918 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 48 4.388 -8.958 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.718 -11.282 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.474 -10.192 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.049 -11.610 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.521 -10.668 -1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.049 -12.322 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.294 -12.991 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 48 0.701 -13.300 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.343 -14.971 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.391 -16.176 -0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.645 -14.525 -0.634 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.158 -15.926 0.083 1.00 0.00 H new ATOM 827 N LYS A 54 8.213 -11.330 1.908 1.00 0.00 N ATOM 828 CA LYS A 54 7.795 -9.911 1.691 1.00 0.00 C ATOM 829 C LYS A 54 6.272 -9.764 1.845 1.00 0.00 C ATOM 830 O LYS A 54 5.514 -10.420 1.161 1.00 0.00 O ATOM 831 CB LYS A 54 8.195 -9.599 0.245 1.00 0.00 C ATOM 832 CG LYS A 54 9.681 -9.235 0.161 1.00 0.00 C ATOM 833 CD LYS A 54 9.940 -8.461 -1.138 1.00 0.00 C ATOM 834 CE LYS A 54 11.313 -8.838 -1.711 1.00 0.00 C ATOM 835 NZ LYS A 54 11.035 -9.814 -2.807 1.00 0.00 N ATOM 0 HA LYS A 54 8.260 -9.239 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.990 -10.462 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.591 -8.775 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.969 -8.631 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.291 -10.138 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.160 -8.685 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.899 -7.389 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.834 -7.959 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.950 -9.280 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.931 -10.113 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.546 -10.645 -2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.434 -9.365 -3.527 1.00 0.00 H new ATOM 849 N VAL A 55 5.828 -8.893 2.725 1.00 0.00 N ATOM 850 CA VAL A 55 4.356 -8.680 2.931 1.00 0.00 C ATOM 851 C VAL A 55 4.071 -7.259 3.464 1.00 0.00 C ATOM 852 O VAL A 55 4.103 -7.014 4.655 1.00 0.00 O ATOM 853 CB VAL A 55 3.933 -9.719 3.988 1.00 0.00 C ATOM 854 CG1 VAL A 55 2.477 -9.478 4.398 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.053 -11.132 3.421 1.00 0.00 C ATOM 0 H VAL A 55 6.428 -8.316 3.314 1.00 0.00 H new ATOM 0 HA VAL A 55 3.810 -8.789 1.994 1.00 0.00 H new ATOM 0 HB VAL A 55 4.588 -9.616 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.183 -10.215 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.378 -8.477 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.833 -9.571 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.751 -11.855 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.407 -11.230 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.086 -11.321 3.131 1.00 0.00 H new ATOM 865 N HIS A 56 3.738 -6.336 2.602 1.00 0.00 N ATOM 866 CA HIS A 56 3.388 -4.950 3.061 1.00 0.00 C ATOM 867 C HIS A 56 1.888 -4.965 3.349 1.00 0.00 C ATOM 868 O HIS A 56 1.143 -5.561 2.599 1.00 0.00 O ATOM 869 CB HIS A 56 3.798 -4.043 1.866 1.00 0.00 C ATOM 870 CG HIS A 56 2.751 -3.008 1.462 1.00 0.00 C ATOM 871 ND1 HIS A 56 3.130 -1.772 0.905 1.00 0.00 N ATOM 872 CD2 HIS A 56 1.364 -3.011 1.433 1.00 0.00 C ATOM 873 CE1 HIS A 56 2.006 -1.108 0.570 1.00 0.00 C ATOM 874 NE2 HIS A 56 0.940 -1.825 0.870 1.00 0.00 N ATOM 0 H HIS A 56 3.692 -6.478 1.593 1.00 0.00 H new ATOM 0 HA HIS A 56 3.883 -4.593 3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.722 -3.524 2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 56 4.015 -4.675 1.005 1.00 0.00 H new ATOM 0 HD1 HIS A 56 4.085 -1.438 0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.726 -3.806 1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.981 -0.127 0.119 1.00 0.00 H new ATOM 883 N VAL A 57 1.403 -4.379 4.420 1.00 0.00 N ATOM 884 CA VAL A 57 -0.061 -4.476 4.646 1.00 0.00 C ATOM 885 C VAL A 57 -0.697 -3.094 4.601 1.00 0.00 C ATOM 886 O VAL A 57 -0.426 -2.239 5.417 1.00 0.00 O ATOM 887 CB VAL A 57 -0.235 -5.147 6.015 1.00 0.00 C ATOM 888 CG1 VAL A 57 -1.624 -5.787 6.086 1.00 0.00 C ATOM 889 CG2 VAL A 57 0.820 -6.243 6.200 1.00 0.00 C ATOM 0 H VAL A 57 1.937 -3.860 5.117 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.557 -5.061 3.871 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.121 -4.396 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.755 -6.266 7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.386 -5.019 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.722 -6.533 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.689 -6.714 7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.707 -6.993 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.816 -5.803 6.141 1.00 0.00 H new ATOM 899 N PHE A 58 -1.550 -2.881 3.644 1.00 0.00 N ATOM 900 CA PHE A 58 -2.239 -1.569 3.521 1.00 0.00 C ATOM 901 C PHE A 58 -3.533 -1.773 2.721 1.00 0.00 C ATOM 902 O PHE A 58 -3.796 -2.833 2.181 1.00 0.00 O ATOM 903 CB PHE A 58 -1.294 -0.642 2.724 1.00 0.00 C ATOM 904 CG PHE A 58 -0.699 0.502 3.556 1.00 0.00 C ATOM 905 CD1 PHE A 58 -1.374 1.745 3.706 1.00 0.00 C ATOM 906 CD2 PHE A 58 0.575 0.344 4.119 1.00 0.00 C ATOM 907 CE1 PHE A 58 -0.774 2.791 4.417 1.00 0.00 C ATOM 908 CE2 PHE A 58 1.173 1.400 4.818 1.00 0.00 C ATOM 909 CZ PHE A 58 0.502 2.620 4.966 1.00 0.00 C ATOM 0 H PHE A 58 -1.803 -3.567 2.933 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.476 -1.144 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.481 -1.238 2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.841 -0.219 1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.352 1.882 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.097 -0.595 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.295 3.729 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.157 1.273 5.245 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.970 3.431 5.505 1.00 0.00 H new ATOM 919 N LYS A 59 -4.301 -0.745 2.611 1.00 0.00 N ATOM 920 CA LYS A 59 -5.572 -0.799 1.807 1.00 0.00 C ATOM 921 C LYS A 59 -5.573 0.437 0.910 1.00 0.00 C ATOM 922 O LYS A 59 -5.350 1.520 1.392 1.00 0.00 O ATOM 923 CB LYS A 59 -6.726 -0.758 2.821 1.00 0.00 C ATOM 924 CG LYS A 59 -6.470 -1.752 3.967 1.00 0.00 C ATOM 925 CD LYS A 59 -7.594 -1.645 5.008 1.00 0.00 C ATOM 926 CE LYS A 59 -7.072 -2.082 6.386 1.00 0.00 C ATOM 927 NZ LYS A 59 -7.472 -3.515 6.553 1.00 0.00 N ATOM 0 H LYS A 59 -4.113 0.158 3.047 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.667 -1.690 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.830 0.250 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.665 -1.001 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.420 -2.768 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.508 -1.543 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.961 -0.620 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.436 -2.271 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.989 -1.971 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.498 -1.465 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.189 -3.590 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.867 -3.872 5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.639 -4.080 6.813 1.00 0.00 H new ATOM 941 N ALA A 60 -5.754 0.302 -0.386 1.00 0.00 N ATOM 942 CA ALA A 60 -5.660 1.518 -1.266 1.00 0.00 C ATOM 943 C ALA A 60 -6.982 1.867 -1.956 1.00 0.00 C ATOM 944 O ALA A 60 -7.441 1.179 -2.844 1.00 0.00 O ATOM 945 CB ALA A 60 -4.589 1.163 -2.298 1.00 0.00 C ATOM 0 H ALA A 60 -5.958 -0.575 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.415 2.402 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.454 1.999 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.648 0.956 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.901 0.281 -2.857 1.00 0.00 H new ATOM 951 N TRP A 61 -7.579 2.954 -1.545 1.00 0.00 N ATOM 952 CA TRP A 61 -8.890 3.399 -2.154 1.00 0.00 C ATOM 953 C TRP A 61 -8.787 4.838 -2.635 1.00 0.00 C ATOM 954 O TRP A 61 -7.709 5.346 -2.726 1.00 0.00 O ATOM 955 CB TRP A 61 -9.894 3.247 -1.021 1.00 0.00 C ATOM 956 CG TRP A 61 -9.847 1.829 -0.594 1.00 0.00 C ATOM 957 CD1 TRP A 61 -9.754 0.804 -1.443 1.00 0.00 C ATOM 958 CD2 TRP A 61 -9.843 1.267 0.733 1.00 0.00 C ATOM 959 NE1 TRP A 61 -9.722 -0.369 -0.738 1.00 0.00 N ATOM 960 CE2 TRP A 61 -9.789 -0.141 0.624 1.00 0.00 C ATOM 961 CE3 TRP A 61 -9.899 1.839 2.000 1.00 0.00 C ATOM 962 CZ2 TRP A 61 -9.796 -0.959 1.753 1.00 0.00 C ATOM 963 CZ3 TRP A 61 -9.903 1.028 3.145 1.00 0.00 C ATOM 964 CH2 TRP A 61 -9.858 -0.371 3.022 1.00 0.00 C ATOM 0 H TRP A 61 -7.221 3.564 -0.810 1.00 0.00 H new ATOM 0 HA TRP A 61 -9.179 2.817 -3.029 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.644 3.909 -0.192 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.896 3.517 -1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.711 0.887 -2.519 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.657 -1.294 -1.163 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.940 2.913 2.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -9.754 -2.033 1.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -9.941 1.481 4.125 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.871 -0.992 3.905 1.00 0.00 H new ATOM 975 N LYS A 62 -9.876 5.506 -2.966 1.00 0.00 N ATOM 976 CA LYS A 62 -9.730 6.928 -3.442 1.00 0.00 C ATOM 977 C LYS A 62 -10.554 7.921 -2.600 1.00 0.00 C ATOM 978 O LYS A 62 -11.665 8.279 -2.944 1.00 0.00 O ATOM 979 CB LYS A 62 -10.196 6.927 -4.901 1.00 0.00 C ATOM 980 CG LYS A 62 -9.220 7.745 -5.756 1.00 0.00 C ATOM 981 CD LYS A 62 -8.623 6.857 -6.854 1.00 0.00 C ATOM 982 CE LYS A 62 -8.333 7.705 -8.101 1.00 0.00 C ATOM 983 NZ LYS A 62 -7.662 6.781 -9.065 1.00 0.00 N ATOM 0 H LYS A 62 -10.829 5.144 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.696 7.259 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.252 5.904 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.199 7.348 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.737 8.594 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.425 8.150 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.705 6.389 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.315 6.053 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.253 8.111 -8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.692 8.553 -7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.724 7.176 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.662 6.669 -8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.132 5.854 -9.041 1.00 0.00 H new ATOM 997 N GLU A 63 -9.952 8.408 -1.541 1.00 0.00 N ATOM 998 CA GLU A 63 -10.580 9.451 -0.647 1.00 0.00 C ATOM 999 C GLU A 63 -9.484 10.059 0.285 1.00 0.00 C ATOM 1000 O GLU A 63 -8.351 9.638 0.274 1.00 0.00 O ATOM 1001 CB GLU A 63 -11.698 8.756 0.125 1.00 0.00 C ATOM 1002 CG GLU A 63 -13.058 9.103 -0.498 1.00 0.00 C ATOM 1003 CD GLU A 63 -14.151 8.216 0.106 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -13.959 7.010 0.141 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -15.161 8.757 0.522 1.00 0.00 O ATOM 0 H GLU A 63 -9.020 8.119 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.003 10.283 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.546 7.677 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.677 9.066 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.291 10.153 -0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.019 8.962 -1.578 1.00 0.00 H new ATOM 1012 N ILE A 64 -9.782 11.090 1.037 1.00 0.00 N ATOM 1013 CA ILE A 64 -8.696 11.766 1.863 1.00 0.00 C ATOM 1014 C ILE A 64 -8.197 11.005 3.122 1.00 0.00 C ATOM 1015 O ILE A 64 -8.814 11.063 4.171 1.00 0.00 O ATOM 1016 CB ILE A 64 -9.313 13.120 2.274 1.00 0.00 C ATOM 1017 CG1 ILE A 64 -8.351 13.864 3.208 1.00 0.00 C ATOM 1018 CG2 ILE A 64 -10.649 12.903 2.999 1.00 0.00 C ATOM 1019 CD1 ILE A 64 -8.695 15.354 3.218 1.00 0.00 C ATOM 0 H ILE A 64 -10.713 11.499 1.124 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.794 11.831 1.254 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.486 13.709 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.421 13.458 4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.323 13.720 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.070 13.868 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.342 12.384 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -10.484 12.303 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.010 15.881 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.603 15.756 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.718 15.489 3.570 1.00 0.00 H new ATOM 1031 N VAL A 65 -7.040 10.345 3.055 1.00 0.00 N ATOM 1032 CA VAL A 65 -6.498 9.667 4.272 1.00 0.00 C ATOM 1033 C VAL A 65 -5.631 10.653 5.079 1.00 0.00 C ATOM 1034 O VAL A 65 -5.632 11.852 4.850 1.00 0.00 O ATOM 1035 CB VAL A 65 -5.624 8.465 3.833 1.00 0.00 C ATOM 1036 CG1 VAL A 65 -6.297 7.164 4.279 1.00 0.00 C ATOM 1037 CG2 VAL A 65 -5.384 8.433 2.314 1.00 0.00 C ATOM 0 H VAL A 65 -6.467 10.256 2.216 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.325 9.323 4.893 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.649 8.574 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.686 6.315 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.403 7.162 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.282 7.087 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.766 7.571 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.340 8.358 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.875 9.347 2.007 1.00 0.00 H new ATOM 1047 N ASP A 66 -4.885 10.124 6.006 1.00 0.00 N ATOM 1048 CA ASP A 66 -3.970 10.933 6.865 1.00 0.00 C ATOM 1049 C ASP A 66 -2.550 10.359 6.738 1.00 0.00 C ATOM 1050 O ASP A 66 -2.354 9.175 6.872 1.00 0.00 O ATOM 1051 CB ASP A 66 -4.497 10.752 8.296 1.00 0.00 C ATOM 1052 CG ASP A 66 -3.918 11.839 9.205 1.00 0.00 C ATOM 1053 OD1 ASP A 66 -2.702 11.980 9.245 1.00 0.00 O ATOM 1054 OD2 ASP A 66 -4.695 12.525 9.842 1.00 0.00 O ATOM 0 H ASP A 66 -4.870 9.125 6.213 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.937 11.986 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.586 10.803 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.222 9.767 8.672 1.00 0.00 H new ATOM 1059 N ALA A 67 -1.580 11.199 6.458 1.00 0.00 N ATOM 1060 CA ALA A 67 -0.153 10.754 6.267 1.00 0.00 C ATOM 1061 C ALA A 67 0.428 10.175 7.535 1.00 0.00 C ATOM 1062 O ALA A 67 0.846 10.931 8.347 1.00 0.00 O ATOM 1063 CB ALA A 67 0.619 12.046 5.970 1.00 0.00 C ATOM 0 H ALA A 67 -1.719 12.204 6.350 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.094 9.994 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.673 11.813 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.216 12.512 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.518 12.732 6.811 1.00 0.00 H new ATOM 1069 N PRO A 68 0.463 8.865 7.659 1.00 0.00 N ATOM 1070 CA PRO A 68 1.011 8.237 8.881 1.00 0.00 C ATOM 1071 C PRO A 68 2.522 8.012 8.739 1.00 0.00 C ATOM 1072 O PRO A 68 3.171 8.618 7.905 1.00 0.00 O ATOM 1073 CB PRO A 68 0.264 6.906 8.936 1.00 0.00 C ATOM 1074 CG PRO A 68 -0.133 6.597 7.518 1.00 0.00 C ATOM 1075 CD PRO A 68 0.034 7.850 6.694 1.00 0.00 C ATOM 0 HA PRO A 68 0.884 8.841 9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.898 6.119 9.344 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.612 6.976 9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.486 5.794 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.166 6.253 7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.775 7.712 5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.899 8.133 6.208 1.00 0.00 H new ATOM 1083 N LYS A 69 3.086 7.131 9.535 1.00 0.00 N ATOM 1084 CA LYS A 69 4.554 6.849 9.429 1.00 0.00 C ATOM 1085 C LYS A 69 4.828 6.098 8.117 1.00 0.00 C ATOM 1086 O LYS A 69 5.233 4.944 8.105 1.00 0.00 O ATOM 1087 CB LYS A 69 4.899 5.985 10.647 1.00 0.00 C ATOM 1088 CG LYS A 69 5.167 6.888 11.854 1.00 0.00 C ATOM 1089 CD LYS A 69 5.319 6.029 13.111 1.00 0.00 C ATOM 1090 CE LYS A 69 6.382 6.644 14.030 1.00 0.00 C ATOM 1091 NZ LYS A 69 6.067 6.129 15.396 1.00 0.00 N ATOM 0 H LYS A 69 2.594 6.597 10.251 1.00 0.00 H new ATOM 0 HA LYS A 69 5.159 7.756 9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.078 5.302 10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.776 5.373 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.071 7.474 11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.348 7.596 11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.366 5.962 13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.604 5.013 12.837 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.386 6.352 13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.344 7.733 14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.755 6.509 16.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.109 6.428 15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.118 5.090 15.396 1.00 0.00 H new ATOM 1105 N ASN A 70 4.580 6.758 7.020 1.00 0.00 N ATOM 1106 CA ASN A 70 4.778 6.149 5.670 1.00 0.00 C ATOM 1107 C ASN A 70 6.072 6.645 5.015 1.00 0.00 C ATOM 1108 O ASN A 70 6.477 6.133 3.992 1.00 0.00 O ATOM 1109 CB ASN A 70 3.586 6.647 4.859 1.00 0.00 C ATOM 1110 CG ASN A 70 2.516 5.562 4.761 1.00 0.00 C ATOM 1111 OD1 ASN A 70 2.765 4.410 5.056 1.00 0.00 O ATOM 1112 ND2 ASN A 70 1.324 5.887 4.357 1.00 0.00 N ATOM 0 H ASN A 70 4.239 7.719 7.001 1.00 0.00 H new ATOM 0 HA ASN A 70 4.850 5.063 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.167 7.538 5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.913 6.935 3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.597 5.175 4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.115 6.854 4.109 1.00 0.00 H new ATOM 1119 N ARG A 71 6.668 7.677 5.574 1.00 0.00 N ATOM 1120 CA ARG A 71 7.915 8.304 5.008 1.00 0.00 C ATOM 1121 C ARG A 71 7.675 8.830 3.569 1.00 0.00 C ATOM 1122 O ARG A 71 8.495 8.640 2.690 1.00 0.00 O ATOM 1123 CB ARG A 71 9.022 7.221 5.095 1.00 0.00 C ATOM 1124 CG ARG A 71 9.066 6.329 3.841 1.00 0.00 C ATOM 1125 CD ARG A 71 8.868 4.863 4.245 1.00 0.00 C ATOM 1126 NE ARG A 71 10.246 4.295 4.334 1.00 0.00 N ATOM 1127 CZ ARG A 71 10.854 4.230 5.487 1.00 0.00 C ATOM 1128 NH1 ARG A 71 10.348 3.503 6.445 1.00 0.00 N ATOM 1129 NH2 ARG A 71 11.965 4.891 5.677 1.00 0.00 N ATOM 0 H ARG A 71 6.331 8.125 6.426 1.00 0.00 H new ATOM 0 HA ARG A 71 8.221 9.185 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.990 7.704 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.851 6.600 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.288 6.632 3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.021 6.450 3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.347 4.784 5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.268 4.329 3.508 1.00 0.00 H new ATOM 0 HE ARG A 71 10.713 3.957 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.481 2.988 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.820 3.449 7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.357 5.457 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.441 4.841 6.578 1.00 0.00 H new ATOM 1143 N PRO A 72 6.554 9.503 3.368 1.00 0.00 N ATOM 1144 CA PRO A 72 6.223 10.057 2.039 1.00 0.00 C ATOM 1145 C PRO A 72 6.713 11.507 1.924 1.00 0.00 C ATOM 1146 O PRO A 72 6.082 12.423 2.418 1.00 0.00 O ATOM 1147 CB PRO A 72 4.701 9.999 2.023 1.00 0.00 C ATOM 1148 CG PRO A 72 4.274 10.028 3.467 1.00 0.00 C ATOM 1149 CD PRO A 72 5.493 9.817 4.328 1.00 0.00 C ATOM 0 HA PRO A 72 6.686 9.517 1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.283 10.843 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.349 9.093 1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.803 10.982 3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.535 9.251 3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.731 10.708 4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.344 9.004 5.039 1.00 0.00 H new ATOM 1157 N ALA A 73 7.837 11.719 1.289 1.00 0.00 N ATOM 1158 CA ALA A 73 8.375 13.110 1.159 1.00 0.00 C ATOM 1159 C ALA A 73 7.755 13.859 -0.027 1.00 0.00 C ATOM 1160 O ALA A 73 7.565 15.057 0.017 1.00 0.00 O ATOM 1161 CB ALA A 73 9.883 12.940 0.961 1.00 0.00 C ATOM 0 H ALA A 73 8.406 10.992 0.855 1.00 0.00 H new ATOM 0 HA ALA A 73 8.136 13.706 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.349 13.920 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.307 12.425 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.068 12.353 0.061 1.00 0.00 H new ATOM 1167 N TRP A 74 7.458 13.165 -1.082 1.00 0.00 N ATOM 1168 CA TRP A 74 6.870 13.810 -2.289 1.00 0.00 C ATOM 1169 C TRP A 74 5.359 14.005 -2.112 1.00 0.00 C ATOM 1170 O TRP A 74 4.776 14.938 -2.627 1.00 0.00 O ATOM 1171 CB TRP A 74 7.153 12.816 -3.421 1.00 0.00 C ATOM 1172 CG TRP A 74 8.605 12.421 -3.421 1.00 0.00 C ATOM 1173 CD1 TRP A 74 9.179 11.504 -2.601 1.00 0.00 C ATOM 1174 CD2 TRP A 74 9.665 12.924 -4.267 1.00 0.00 C ATOM 1175 NE1 TRP A 74 10.524 11.416 -2.904 1.00 0.00 N ATOM 1176 CE2 TRP A 74 10.872 12.273 -3.930 1.00 0.00 C ATOM 1177 CE3 TRP A 74 9.683 13.875 -5.289 1.00 0.00 C ATOM 1178 CZ2 TRP A 74 12.064 12.560 -4.595 1.00 0.00 C ATOM 1179 CZ3 TRP A 74 10.879 14.172 -5.964 1.00 0.00 C ATOM 1180 CH2 TRP A 74 12.068 13.514 -5.617 1.00 0.00 C ATOM 0 H TRP A 74 7.599 12.158 -1.164 1.00 0.00 H new ATOM 0 HA TRP A 74 7.290 14.797 -2.483 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.529 11.931 -3.301 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.891 13.263 -4.380 1.00 0.00 H new ATOM 0 HD1 TRP A 74 8.668 10.936 -1.837 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.179 10.795 -2.429 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.772 14.386 -5.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.976 12.050 -4.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.883 14.910 -6.753 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.985 13.744 -6.139 1.00 0.00 H new ATOM 1191 N MET A 75 4.727 13.119 -1.384 1.00 0.00 N ATOM 1192 CA MET A 75 3.252 13.222 -1.155 1.00 0.00 C ATOM 1193 C MET A 75 2.863 12.307 0.010 1.00 0.00 C ATOM 1194 O MET A 75 2.935 11.101 -0.118 1.00 0.00 O ATOM 1195 CB MET A 75 2.602 12.746 -2.460 1.00 0.00 C ATOM 1196 CG MET A 75 1.121 13.135 -2.468 1.00 0.00 C ATOM 1197 SD MET A 75 0.963 14.909 -2.788 1.00 0.00 S ATOM 1198 CE MET A 75 -0.755 15.091 -2.249 1.00 0.00 C ATOM 0 H MET A 75 5.174 12.320 -0.934 1.00 0.00 H new ATOM 0 HA MET A 75 2.933 14.233 -0.903 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.110 13.192 -3.315 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.705 11.665 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.590 12.568 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.664 12.885 -1.511 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.350 15.505 -3.063 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.153 14.116 -1.968 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.798 15.762 -1.391 1.00 0.00 H new ATOM 1208 N PRO A 76 2.493 12.903 1.115 1.00 0.00 N ATOM 1209 CA PRO A 76 2.123 12.113 2.320 1.00 0.00 C ATOM 1210 C PRO A 76 0.713 11.550 2.242 1.00 0.00 C ATOM 1211 O PRO A 76 0.019 11.729 1.259 1.00 0.00 O ATOM 1212 CB PRO A 76 2.269 13.122 3.454 1.00 0.00 C ATOM 1213 CG PRO A 76 2.092 14.473 2.825 1.00 0.00 C ATOM 1214 CD PRO A 76 2.394 14.348 1.351 1.00 0.00 C ATOM 0 HA PRO A 76 2.749 11.230 2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.522 12.950 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.246 13.037 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.074 14.832 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.759 15.199 3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.606 14.796 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.323 14.857 1.092 1.00 0.00 H new ATOM 1222 N GLU A 77 0.273 10.847 3.275 1.00 0.00 N ATOM 1223 CA GLU A 77 -1.102 10.277 3.211 1.00 0.00 C ATOM 1224 C GLU A 77 -2.106 11.268 3.783 1.00 0.00 C ATOM 1225 O GLU A 77 -3.267 10.960 3.911 1.00 0.00 O ATOM 1226 CB GLU A 77 -1.054 8.987 4.035 1.00 0.00 C ATOM 1227 CG GLU A 77 -1.976 7.929 3.432 1.00 0.00 C ATOM 1228 CD GLU A 77 -2.276 6.866 4.492 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -1.448 5.991 4.676 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -3.322 6.950 5.109 1.00 0.00 O ATOM 0 H GLU A 77 0.797 10.654 4.129 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.417 10.072 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.032 8.609 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.353 9.194 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.902 8.389 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.505 7.471 2.562 1.00 0.00 H new ATOM 1237 N LYS A 78 -1.682 12.472 4.108 1.00 0.00 N ATOM 1238 CA LYS A 78 -2.663 13.469 4.660 1.00 0.00 C ATOM 1239 C LYS A 78 -3.197 14.265 3.495 1.00 0.00 C ATOM 1240 O LYS A 78 -2.783 15.387 3.255 1.00 0.00 O ATOM 1241 CB LYS A 78 -1.854 14.380 5.604 1.00 0.00 C ATOM 1242 CG LYS A 78 -2.800 15.311 6.374 1.00 0.00 C ATOM 1243 CD LYS A 78 -3.545 14.522 7.456 1.00 0.00 C ATOM 1244 CE LYS A 78 -3.229 15.103 8.840 1.00 0.00 C ATOM 1245 NZ LYS A 78 -2.001 14.387 9.295 1.00 0.00 N ATOM 0 H LYS A 78 -0.721 12.802 4.018 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.495 13.008 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.279 13.773 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.139 14.969 5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.233 16.123 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.514 15.766 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.619 14.562 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.254 13.472 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.060 16.179 8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.056 14.944 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.925 14.452 10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.058 13.387 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.163 14.822 8.858 1.00 0.00 H new ATOM 1259 N ILE A 79 -4.096 13.688 2.743 1.00 0.00 N ATOM 1260 CA ILE A 79 -4.608 14.436 1.545 1.00 0.00 C ATOM 1261 C ILE A 79 -5.853 13.770 0.934 1.00 0.00 C ATOM 1262 O ILE A 79 -6.059 12.584 1.080 1.00 0.00 O ATOM 1263 CB ILE A 79 -3.428 14.437 0.503 1.00 0.00 C ATOM 1264 CG1 ILE A 79 -3.744 13.511 -0.677 1.00 0.00 C ATOM 1265 CG2 ILE A 79 -2.087 13.962 1.111 1.00 0.00 C ATOM 1266 CD1 ILE A 79 -3.592 12.045 -0.245 1.00 0.00 C ATOM 0 H ILE A 79 -4.492 12.760 2.894 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.913 15.444 1.828 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.327 15.473 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.759 13.692 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.073 13.726 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.312 13.984 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.805 14.622 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.198 12.944 1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.818 11.392 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.569 11.868 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.281 11.833 0.573 1.00 0.00 H new ATOM 1278 N SER A 80 -6.642 14.518 0.181 1.00 0.00 N ATOM 1279 CA SER A 80 -7.824 13.911 -0.519 1.00 0.00 C ATOM 1280 C SER A 80 -7.258 13.166 -1.727 1.00 0.00 C ATOM 1281 O SER A 80 -6.831 13.783 -2.691 1.00 0.00 O ATOM 1282 CB SER A 80 -8.710 15.083 -0.967 1.00 0.00 C ATOM 1283 OG SER A 80 -8.732 16.087 0.042 1.00 0.00 O ATOM 0 H SER A 80 -6.515 15.518 0.025 1.00 0.00 H new ATOM 0 HA SER A 80 -8.407 13.229 0.100 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.331 15.501 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.722 14.730 -1.164 1.00 0.00 H new ATOM 0 HG SER A 80 -9.628 16.135 0.436 1.00 0.00 H new ATOM 1289 N LYS A 81 -7.168 11.859 -1.660 1.00 0.00 N ATOM 1290 CA LYS A 81 -6.535 11.101 -2.776 1.00 0.00 C ATOM 1291 C LYS A 81 -6.716 9.605 -2.519 1.00 0.00 C ATOM 1292 O LYS A 81 -7.676 9.237 -1.907 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.080 11.559 -2.744 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.690 11.975 -4.154 1.00 0.00 C ATOM 1295 CD LYS A 81 -3.888 13.280 -4.118 1.00 0.00 C ATOM 1296 CE LYS A 81 -4.539 14.309 -5.049 1.00 0.00 C ATOM 1297 NZ LYS A 81 -5.490 15.077 -4.190 1.00 0.00 N ATOM 0 H LYS A 81 -7.505 11.290 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.966 11.279 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.958 12.393 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.434 10.755 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.098 11.189 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.585 12.106 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.851 13.668 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.859 13.095 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.791 14.967 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.060 13.820 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.995 15.776 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.176 14.423 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.962 15.567 -3.440 1.00 0.00 H new ATOM 1311 N PRO A 82 -5.841 8.755 -2.997 1.00 0.00 N ATOM 1312 CA PRO A 82 -6.059 7.322 -2.732 1.00 0.00 C ATOM 1313 C PRO A 82 -5.873 6.984 -1.233 1.00 0.00 C ATOM 1314 O PRO A 82 -4.832 7.236 -0.655 1.00 0.00 O ATOM 1315 CB PRO A 82 -4.998 6.629 -3.580 1.00 0.00 C ATOM 1316 CG PRO A 82 -3.933 7.655 -3.755 1.00 0.00 C ATOM 1317 CD PRO A 82 -4.628 8.983 -3.803 1.00 0.00 C ATOM 0 HA PRO A 82 -7.073 7.007 -2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.613 5.738 -3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.403 6.310 -4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.220 7.619 -2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.370 7.478 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.009 9.777 -3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.872 9.274 -4.825 1.00 0.00 H new ATOM 1325 N PHE A 83 -6.882 6.398 -0.605 1.00 0.00 N ATOM 1326 CA PHE A 83 -6.762 6.020 0.835 1.00 0.00 C ATOM 1327 C PHE A 83 -5.676 4.984 0.992 1.00 0.00 C ATOM 1328 O PHE A 83 -5.326 4.282 0.062 1.00 0.00 O ATOM 1329 CB PHE A 83 -8.068 5.326 1.224 1.00 0.00 C ATOM 1330 CG PHE A 83 -9.072 6.291 1.782 1.00 0.00 C ATOM 1331 CD1 PHE A 83 -8.655 7.471 2.399 1.00 0.00 C ATOM 1332 CD2 PHE A 83 -10.438 6.003 1.674 1.00 0.00 C ATOM 1333 CE1 PHE A 83 -9.590 8.360 2.884 1.00 0.00 C ATOM 1334 CE2 PHE A 83 -11.370 6.899 2.176 1.00 0.00 C ATOM 1335 CZ PHE A 83 -10.934 8.080 2.775 1.00 0.00 C ATOM 0 H PHE A 83 -7.778 6.170 -1.037 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.548 6.903 1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.489 4.830 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -7.861 4.551 1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.601 7.687 2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.764 5.088 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.268 9.279 3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.426 6.683 2.103 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.659 8.783 3.158 1.00 0.00 H new ATOM 1345 N VAL A 84 -5.173 4.859 2.173 1.00 0.00 N ATOM 1346 CA VAL A 84 -4.133 3.848 2.428 1.00 0.00 C ATOM 1347 C VAL A 84 -4.176 3.425 3.903 1.00 0.00 C ATOM 1348 O VAL A 84 -3.545 4.026 4.749 1.00 0.00 O ATOM 1349 CB VAL A 84 -2.770 4.497 2.085 1.00 0.00 C ATOM 1350 CG1 VAL A 84 -1.996 3.575 1.138 1.00 0.00 C ATOM 1351 CG2 VAL A 84 -2.951 5.861 1.402 1.00 0.00 C ATOM 0 H VAL A 84 -5.441 5.420 2.982 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.290 2.957 1.820 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.224 4.645 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.035 4.028 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.831 2.612 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.571 3.427 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.974 6.287 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.514 5.733 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.494 6.532 2.068 1.00 0.00 H new ATOM 1361 N LYS A 85 -4.883 2.367 4.221 1.00 0.00 N ATOM 1362 CA LYS A 85 -4.897 1.906 5.647 1.00 0.00 C ATOM 1363 C LYS A 85 -3.534 1.273 5.886 1.00 0.00 C ATOM 1364 O LYS A 85 -3.113 0.447 5.120 1.00 0.00 O ATOM 1365 CB LYS A 85 -6.028 0.880 5.769 1.00 0.00 C ATOM 1366 CG LYS A 85 -7.000 1.312 6.876 1.00 0.00 C ATOM 1367 CD LYS A 85 -8.281 1.877 6.248 1.00 0.00 C ATOM 1368 CE LYS A 85 -9.448 1.738 7.237 1.00 0.00 C ATOM 1369 NZ LYS A 85 -10.579 2.505 6.628 1.00 0.00 N ATOM 0 H LYS A 85 -5.440 1.812 3.571 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.067 2.699 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.557 0.793 4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.617 -0.104 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.241 0.462 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.532 2.065 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.137 2.925 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.509 1.346 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.717 0.692 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.183 2.139 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.175 2.902 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.200 3.277 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.150 1.870 6.035 1.00 0.00 H new ATOM 1383 N LYS A 86 -2.821 1.713 6.888 1.00 0.00 N ATOM 1384 CA LYS A 86 -1.437 1.219 7.124 1.00 0.00 C ATOM 1385 C LYS A 86 -1.359 0.057 8.102 1.00 0.00 C ATOM 1386 O LYS A 86 -1.165 0.220 9.293 1.00 0.00 O ATOM 1387 CB LYS A 86 -0.674 2.434 7.675 1.00 0.00 C ATOM 1388 CG LYS A 86 -1.362 2.969 8.939 1.00 0.00 C ATOM 1389 CD LYS A 86 -1.961 4.347 8.649 1.00 0.00 C ATOM 1390 CE LYS A 86 -3.347 4.461 9.291 1.00 0.00 C ATOM 1391 NZ LYS A 86 -3.227 5.564 10.293 1.00 0.00 N ATOM 0 H LYS A 86 -3.146 2.405 7.563 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.017 0.825 6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.354 2.153 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.629 3.217 6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.144 2.281 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.644 3.037 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.306 5.127 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.036 4.501 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.109 4.688 8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.638 3.525 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.140 5.698 10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.500 5.318 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.957 6.444 9.810 1.00 0.00 H new ATOM 1405 N GLU A 87 -1.435 -1.110 7.574 1.00 0.00 N ATOM 1406 CA GLU A 87 -1.290 -2.335 8.417 1.00 0.00 C ATOM 1407 C GLU A 87 0.212 -2.678 8.541 1.00 0.00 C ATOM 1408 O GLU A 87 1.017 -2.374 7.658 1.00 0.00 O ATOM 1409 CB GLU A 87 -2.059 -3.437 7.694 1.00 0.00 C ATOM 1410 CG GLU A 87 -3.563 -3.242 7.909 1.00 0.00 C ATOM 1411 CD GLU A 87 -4.316 -3.650 6.644 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -4.045 -3.079 5.603 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -5.170 -4.521 6.740 1.00 0.00 O ATOM 0 H GLU A 87 -1.593 -1.287 6.582 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.681 -2.204 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.828 -3.416 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.752 -4.414 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.901 -3.841 8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.774 -2.200 8.151 1.00 0.00 H new ATOM 1420 N ARG A 88 0.598 -3.288 9.636 1.00 0.00 N ATOM 1421 CA ARG A 88 2.047 -3.604 9.866 1.00 0.00 C ATOM 1422 C ARG A 88 2.632 -4.453 8.737 1.00 0.00 C ATOM 1423 O ARG A 88 2.172 -5.540 8.455 1.00 0.00 O ATOM 1424 CB ARG A 88 2.083 -4.400 11.177 1.00 0.00 C ATOM 1425 CG ARG A 88 1.527 -3.551 12.324 1.00 0.00 C ATOM 1426 CD ARG A 88 2.510 -3.570 13.497 1.00 0.00 C ATOM 1427 NE ARG A 88 2.251 -2.302 14.234 1.00 0.00 N ATOM 1428 CZ ARG A 88 3.046 -1.282 14.076 1.00 0.00 C ATOM 1429 NH1 ARG A 88 4.207 -1.267 14.672 1.00 0.00 N ATOM 1430 NH2 ARG A 88 2.679 -0.285 13.320 1.00 0.00 N ATOM 0 H ARG A 88 -0.029 -3.582 10.384 1.00 0.00 H new ATOM 0 HA ARG A 88 2.639 -2.690 9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.497 -5.313 11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.106 -4.702 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.366 -2.527 11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.559 -3.938 12.641 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.347 -4.438 14.135 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.541 -3.620 13.148 1.00 0.00 H new ATOM 0 HE ARG A 88 1.451 -2.232 14.863 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.489 -2.052 15.259 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.832 -0.470 14.551 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.772 -0.305 12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.299 0.515 13.194 1.00 0.00 H new ATOM 1444 N ILE A 89 3.668 -3.952 8.106 1.00 0.00 N ATOM 1445 CA ILE A 89 4.319 -4.708 6.996 1.00 0.00 C ATOM 1446 C ILE A 89 5.125 -5.873 7.576 1.00 0.00 C ATOM 1447 O ILE A 89 5.980 -5.689 8.424 1.00 0.00 O ATOM 1448 CB ILE A 89 5.251 -3.699 6.303 1.00 0.00 C ATOM 1449 CG1 ILE A 89 4.423 -2.591 5.640 1.00 0.00 C ATOM 1450 CG2 ILE A 89 6.085 -4.412 5.231 1.00 0.00 C ATOM 1451 CD1 ILE A 89 5.360 -1.519 5.076 1.00 0.00 C ATOM 0 H ILE A 89 4.090 -3.047 8.316 1.00 0.00 H new ATOM 0 HA ILE A 89 3.595 -5.126 6.297 1.00 0.00 H new ATOM 0 HB ILE A 89 5.912 -3.261 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.810 -3.009 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.742 -2.148 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.743 -3.692 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.684 -5.194 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.421 -4.857 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.771 -0.732 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.954 -1.093 5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.023 -1.968 4.336 1.00 0.00 H new