USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= -0.0137 K(o=-0.019,f=-1.1) USER MOD Set 1.2: A 65 THR OG1 : rot 160:sc=-0.00559 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.043 K(o=-0.043,f=-1.6!) USER MOD Set 2.2: A 15 GLN : amide:sc=-0.000434 K(o=-0.043,f=1.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -8.3! C(o=-8.3!,f=-7.8!) USER MOD Single : A 35 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=-0.42) USER MOD Single : A 36 THR OG1 : rot 74:sc= 0.34 USER MOD Single : A 37 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.2) USER MOD Single : A 43 TYR OH : rot 180:sc= -2! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 161:sc= -0.506 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 31:sc= 1.14 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 167:sc= 0 (180deg=-0.113) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -114:sc= -0.482! USER MOD Single : A 63 ASN : amide:sc= -3.35! K(o=-3.3!,f=-0.76) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.64) USER MOD Single : A 73 ASN : amide:sc= -6.9! C(o=-6.9!,f=-6!) USER MOD Single : A 74 THR OG1 : rot 65:sc= 1.05 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot -179:sc=-0.000756 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 159:sc= 1.96 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 5.553 14.178 -3.071 1.00 0.00 N ATOM 67 CA PRO A 8 4.917 13.918 -1.776 1.00 0.00 C ATOM 68 C PRO A 8 3.431 13.606 -1.912 1.00 0.00 C ATOM 69 O PRO A 8 2.773 13.236 -0.939 1.00 0.00 O ATOM 70 CB PRO A 8 5.121 15.229 -1.012 1.00 0.00 C ATOM 71 CG PRO A 8 5.257 16.268 -2.070 1.00 0.00 C ATOM 72 CD PRO A 8 5.935 15.591 -3.230 1.00 0.00 C ATOM 0 HA PRO A 8 5.345 13.048 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.276 15.440 -0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.010 15.186 -0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.282 16.658 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.845 17.114 -1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.596 15.994 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.017 15.721 -3.195 1.00 0.00 H new ATOM 80 N ASP A 9 2.908 13.758 -3.123 1.00 0.00 N ATOM 81 CA ASP A 9 1.498 13.491 -3.387 1.00 0.00 C ATOM 82 C ASP A 9 1.042 12.224 -2.670 1.00 0.00 C ATOM 83 O ASP A 9 -0.025 12.195 -2.058 1.00 0.00 O ATOM 84 CB ASP A 9 1.255 13.357 -4.891 1.00 0.00 C ATOM 85 CG ASP A 9 2.083 14.335 -5.701 1.00 0.00 C ATOM 86 OD1 ASP A 9 1.883 15.557 -5.540 1.00 0.00 O ATOM 87 OD2 ASP A 9 2.931 13.878 -6.496 1.00 0.00 O ATOM 0 H ASP A 9 3.439 14.065 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 9 0.917 14.331 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.490 12.340 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.198 13.519 -5.101 1.00 0.00 H new ATOM 92 N ALA A 10 1.858 11.178 -2.751 1.00 0.00 N ATOM 93 CA ALA A 10 1.539 9.908 -2.110 1.00 0.00 C ATOM 94 C ALA A 10 1.723 9.995 -0.599 1.00 0.00 C ATOM 95 O ALA A 10 2.291 10.953 -0.072 1.00 0.00 O ATOM 96 CB ALA A 10 2.402 8.795 -2.686 1.00 0.00 C ATOM 0 H ALA A 10 2.745 11.185 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 10 0.492 9.681 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.153 7.852 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.218 8.709 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.454 9.025 -2.516 1.00 0.00 H new ATOM 102 N PRO A 11 1.233 8.973 0.118 1.00 0.00 N ATOM 103 CA PRO A 11 1.331 8.911 1.579 1.00 0.00 C ATOM 104 C PRO A 11 2.762 8.686 2.054 1.00 0.00 C ATOM 105 O PRO A 11 3.692 8.632 1.250 1.00 0.00 O ATOM 106 CB PRO A 11 0.451 7.713 1.943 1.00 0.00 C ATOM 107 CG PRO A 11 0.454 6.856 0.724 1.00 0.00 C ATOM 108 CD PRO A 11 0.544 7.798 -0.444 1.00 0.00 C ATOM 0 HA PRO A 11 1.019 9.844 2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.849 7.177 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.560 8.028 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.297 6.166 0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.452 6.252 0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.104 7.361 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.443 8.056 -0.829 1.00 0.00 H new ATOM 116 N ARG A 12 2.931 8.554 3.366 1.00 0.00 N ATOM 117 CA ARG A 12 4.250 8.334 3.948 1.00 0.00 C ATOM 118 C ARG A 12 4.158 7.440 5.181 1.00 0.00 C ATOM 119 O ARG A 12 3.105 7.338 5.809 1.00 0.00 O ATOM 120 CB ARG A 12 4.894 9.671 4.322 1.00 0.00 C ATOM 121 CG ARG A 12 4.835 10.707 3.211 1.00 0.00 C ATOM 122 CD ARG A 12 5.203 12.092 3.721 1.00 0.00 C ATOM 123 NE ARG A 12 4.296 12.546 4.772 1.00 0.00 N ATOM 124 CZ ARG A 12 4.482 12.293 6.063 1.00 0.00 C ATOM 125 NH1 ARG A 12 5.536 11.593 6.460 1.00 0.00 N ATOM 126 NH2 ARG A 12 3.613 12.741 6.960 1.00 0.00 N ATOM 0 H ARG A 12 2.172 8.596 4.046 1.00 0.00 H new ATOM 0 HA ARG A 12 4.870 7.834 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.396 10.070 5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.936 9.500 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.515 10.421 2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.832 10.729 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.224 12.078 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.182 12.801 2.893 1.00 0.00 H new ATOM 0 HE ARG A 12 3.475 13.087 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.207 11.247 5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.676 11.400 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.801 13.280 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.757 12.546 7.951 1.00 0.00 H new ATOM 140 N ASN A 13 5.268 6.793 5.520 1.00 0.00 N ATOM 141 CA ASN A 13 5.312 5.906 6.677 1.00 0.00 C ATOM 142 C ASN A 13 4.346 4.738 6.504 1.00 0.00 C ATOM 143 O ASN A 13 3.486 4.498 7.353 1.00 0.00 O ATOM 144 CB ASN A 13 4.972 6.679 7.953 1.00 0.00 C ATOM 145 CG ASN A 13 5.440 5.964 9.205 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.317 5.101 9.149 1.00 0.00 O ATOM 147 ND2 ASN A 13 4.856 6.320 10.343 1.00 0.00 N ATOM 0 H ASN A 13 6.149 6.866 5.011 1.00 0.00 H new ATOM 0 HA ASN A 13 6.324 5.509 6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.431 7.667 7.909 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.894 6.831 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.130 5.873 11.218 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.134 7.040 10.342 1.00 0.00 H new ATOM 154 N LEU A 14 4.494 4.013 5.401 1.00 0.00 N ATOM 155 CA LEU A 14 3.635 2.869 5.116 1.00 0.00 C ATOM 156 C LEU A 14 4.011 1.676 5.988 1.00 0.00 C ATOM 157 O LEU A 14 5.059 1.060 5.794 1.00 0.00 O ATOM 158 CB LEU A 14 3.735 2.487 3.638 1.00 0.00 C ATOM 159 CG LEU A 14 2.783 1.389 3.163 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.336 1.823 3.341 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.060 1.034 1.709 1.00 0.00 C ATOM 0 H LEU A 14 5.201 4.197 4.689 1.00 0.00 H new ATOM 0 HA LEU A 14 2.607 3.152 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.555 3.380 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.757 2.167 3.434 1.00 0.00 H new ATOM 0 HG LEU A 14 2.952 0.501 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.673 1.029 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.144 2.026 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.153 2.726 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.373 0.251 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.920 1.917 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.086 0.679 1.610 1.00 0.00 H new ATOM 173 N GLN A 15 3.148 1.354 6.946 1.00 0.00 N ATOM 174 CA GLN A 15 3.390 0.233 7.847 1.00 0.00 C ATOM 175 C GLN A 15 2.231 -0.758 7.805 1.00 0.00 C ATOM 176 O GLN A 15 1.073 -0.384 7.995 1.00 0.00 O ATOM 177 CB GLN A 15 3.595 0.736 9.277 1.00 0.00 C ATOM 178 CG GLN A 15 5.045 1.048 9.610 1.00 0.00 C ATOM 179 CD GLN A 15 5.191 1.851 10.887 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.496 3.043 10.853 1.00 0.00 O ATOM 181 NE2 GLN A 15 4.973 1.200 12.024 1.00 0.00 N ATOM 0 H GLN A 15 2.275 1.853 7.118 1.00 0.00 H new ATOM 0 HA GLN A 15 4.294 -0.278 7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.995 1.634 9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.224 -0.015 9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.600 0.115 9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.492 1.601 8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.722 0.211 12.006 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.056 1.689 12.915 1.00 0.00 H new ATOM 190 N LEU A 16 2.551 -2.023 7.556 1.00 0.00 N ATOM 191 CA LEU A 16 1.536 -3.069 7.489 1.00 0.00 C ATOM 192 C LEU A 16 1.381 -3.765 8.838 1.00 0.00 C ATOM 193 O LEU A 16 2.339 -4.321 9.374 1.00 0.00 O ATOM 194 CB LEU A 16 1.902 -4.093 6.413 1.00 0.00 C ATOM 195 CG LEU A 16 1.746 -3.630 4.964 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.723 -4.824 4.022 1.00 0.00 C ATOM 197 CD2 LEU A 16 0.481 -2.798 4.804 1.00 0.00 C ATOM 0 H LEU A 16 3.504 -2.349 7.397 1.00 0.00 H new ATOM 0 HA LEU A 16 0.585 -2.603 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.937 -4.397 6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.285 -4.979 6.558 1.00 0.00 H new ATOM 0 HG LEU A 16 2.603 -3.007 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.611 -4.475 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.656 -5.380 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.886 -5.473 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.386 -2.477 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.386 -3.398 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.537 -1.923 5.451 1.00 0.00 H new ATOM 209 N SER A 17 0.168 -3.731 9.379 1.00 0.00 N ATOM 210 CA SER A 17 -0.113 -4.356 10.666 1.00 0.00 C ATOM 211 C SER A 17 -1.148 -5.466 10.516 1.00 0.00 C ATOM 212 O SER A 17 -1.741 -5.639 9.450 1.00 0.00 O ATOM 213 CB SER A 17 -0.609 -3.312 11.667 1.00 0.00 C ATOM 214 OG SER A 17 0.010 -2.056 11.444 1.00 0.00 O ATOM 0 H SER A 17 -0.636 -3.277 8.946 1.00 0.00 H new ATOM 0 HA SER A 17 0.813 -4.794 11.039 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.691 -3.208 11.582 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.400 -3.649 12.682 1.00 0.00 H new ATOM 0 HG SER A 17 -0.325 -1.406 12.096 1.00 0.00 H new ATOM 220 N LEU A 18 -1.362 -6.217 11.591 1.00 0.00 N ATOM 221 CA LEU A 18 -2.326 -7.311 11.582 1.00 0.00 C ATOM 222 C LEU A 18 -3.278 -7.209 12.769 1.00 0.00 C ATOM 223 O LEU A 18 -2.873 -6.937 13.899 1.00 0.00 O ATOM 224 CB LEU A 18 -1.600 -8.657 11.610 1.00 0.00 C ATOM 225 CG LEU A 18 -1.231 -9.250 10.249 1.00 0.00 C ATOM 226 CD1 LEU A 18 -0.492 -8.225 9.403 1.00 0.00 C ATOM 227 CD2 LEU A 18 -0.391 -10.506 10.425 1.00 0.00 C ATOM 0 H LEU A 18 -0.880 -6.088 12.481 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.910 -7.239 10.665 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.686 -8.542 12.193 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.228 -9.375 12.138 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.151 -9.522 9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.238 -8.665 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.129 -7.354 9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.421 -7.921 9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.138 -10.914 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.524 -10.259 10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.957 -11.246 10.991 1.00 0.00 H new ATOM 239 N PRO A 19 -4.574 -7.434 12.510 1.00 0.00 N ATOM 240 CA PRO A 19 -5.611 -7.376 13.545 1.00 0.00 C ATOM 241 C PRO A 19 -5.507 -8.531 14.535 1.00 0.00 C ATOM 242 O PRO A 19 -5.504 -9.698 14.143 1.00 0.00 O ATOM 243 CB PRO A 19 -6.914 -7.470 12.748 1.00 0.00 C ATOM 244 CG PRO A 19 -6.540 -8.181 11.493 1.00 0.00 C ATOM 245 CD PRO A 19 -5.129 -7.764 11.186 1.00 0.00 C ATOM 0 HA PRO A 19 -5.531 -6.474 14.152 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.677 -8.017 13.301 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.321 -6.481 12.537 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.609 -9.261 11.621 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.212 -7.913 10.678 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.569 -8.566 10.704 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.101 -6.907 10.514 1.00 0.00 H new ATOM 253 N ARG A 20 -5.422 -8.199 15.819 1.00 0.00 N ATOM 254 CA ARG A 20 -5.317 -9.209 16.864 1.00 0.00 C ATOM 255 C ARG A 20 -6.630 -9.972 17.017 1.00 0.00 C ATOM 256 O ARG A 20 -6.734 -10.890 17.829 1.00 0.00 O ATOM 257 CB ARG A 20 -4.935 -8.559 18.195 1.00 0.00 C ATOM 258 CG ARG A 20 -6.092 -7.851 18.881 1.00 0.00 C ATOM 259 CD ARG A 20 -5.815 -7.637 20.361 1.00 0.00 C ATOM 260 NE ARG A 20 -4.998 -6.451 20.600 1.00 0.00 N ATOM 261 CZ ARG A 20 -4.649 -6.030 21.811 1.00 0.00 C ATOM 262 NH1 ARG A 20 -5.045 -6.696 22.887 1.00 0.00 N ATOM 263 NH2 ARG A 20 -3.903 -4.941 21.947 1.00 0.00 N ATOM 0 H ARG A 20 -5.424 -7.238 16.160 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.538 -9.914 16.575 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.541 -9.324 18.863 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.132 -7.842 18.022 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.268 -6.889 18.400 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.002 -8.439 18.761 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.760 -7.540 20.896 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.308 -8.513 20.765 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.677 -5.916 19.793 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.619 -7.533 22.786 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.776 -6.371 23.816 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.597 -4.426 21.121 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.636 -4.619 22.877 1.00 0.00 H new ATOM 277 N GLU A 21 -7.629 -9.583 16.231 1.00 0.00 N ATOM 278 CA GLU A 21 -8.936 -10.229 16.281 1.00 0.00 C ATOM 279 C GLU A 21 -9.372 -10.681 14.890 1.00 0.00 C ATOM 280 O GLU A 21 -10.559 -10.888 14.637 1.00 0.00 O ATOM 281 CB GLU A 21 -9.978 -9.278 16.871 1.00 0.00 C ATOM 282 CG GLU A 21 -9.937 -9.194 18.387 1.00 0.00 C ATOM 283 CD GLU A 21 -10.861 -8.125 18.938 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.585 -6.928 18.713 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.860 -8.487 19.595 1.00 0.00 O ATOM 0 H GLU A 21 -7.559 -8.825 15.553 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.855 -11.108 16.921 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.824 -8.282 16.456 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.971 -9.603 16.560 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.214 -10.160 18.808 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.916 -8.987 18.708 1.00 0.00 H new ATOM 292 N ALA A 22 -8.404 -10.830 13.991 1.00 0.00 N ATOM 293 CA ALA A 22 -8.688 -11.258 12.627 1.00 0.00 C ATOM 294 C ALA A 22 -7.451 -11.866 11.975 1.00 0.00 C ATOM 295 O ALA A 22 -6.330 -11.415 12.207 1.00 0.00 O ATOM 296 CB ALA A 22 -9.200 -10.086 11.802 1.00 0.00 C ATOM 0 H ALA A 22 -7.417 -10.661 14.183 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.461 -12.026 12.666 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.408 -10.420 10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.114 -9.697 12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.445 -9.300 11.778 1.00 0.00 H new ATOM 302 N GLU A 23 -7.663 -12.894 11.158 1.00 0.00 N ATOM 303 CA GLU A 23 -6.564 -13.565 10.474 1.00 0.00 C ATOM 304 C GLU A 23 -6.567 -13.231 8.985 1.00 0.00 C ATOM 305 O GLU A 23 -7.509 -12.627 8.474 1.00 0.00 O ATOM 306 CB GLU A 23 -6.661 -15.079 10.669 1.00 0.00 C ATOM 307 CG GLU A 23 -6.479 -15.520 12.112 1.00 0.00 C ATOM 308 CD GLU A 23 -7.237 -16.792 12.433 1.00 0.00 C ATOM 309 OE1 GLU A 23 -6.702 -17.887 12.160 1.00 0.00 O ATOM 310 OE2 GLU A 23 -8.366 -16.694 12.958 1.00 0.00 O ATOM 0 H GLU A 23 -8.585 -13.280 10.954 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.629 -13.210 10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.633 -15.421 10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.906 -15.565 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.418 -15.674 12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.815 -14.724 12.776 1.00 0.00 H new ATOM 317 N GLY A 24 -5.503 -13.630 8.293 1.00 0.00 N ATOM 318 CA GLY A 24 -5.401 -13.365 6.870 1.00 0.00 C ATOM 319 C GLY A 24 -5.779 -11.940 6.517 1.00 0.00 C ATOM 320 O GLY A 24 -6.258 -11.672 5.416 1.00 0.00 O ATOM 0 H GLY A 24 -4.710 -14.132 8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.381 -13.559 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.048 -14.054 6.328 1.00 0.00 H new ATOM 324 N VAL A 25 -5.564 -11.023 7.456 1.00 0.00 N ATOM 325 CA VAL A 25 -5.886 -9.618 7.239 1.00 0.00 C ATOM 326 C VAL A 25 -4.703 -8.723 7.590 1.00 0.00 C ATOM 327 O VAL A 25 -4.042 -8.922 8.610 1.00 0.00 O ATOM 328 CB VAL A 25 -7.107 -9.186 8.073 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.272 -7.675 8.035 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.365 -9.881 7.573 1.00 0.00 C ATOM 0 H VAL A 25 -5.168 -11.228 8.373 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.121 -9.507 6.180 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.942 -9.483 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.139 -7.389 8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.379 -7.201 8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.415 -7.350 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.218 -9.565 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.537 -9.616 6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.242 -10.961 7.658 1.00 0.00 H new ATOM 340 N ILE A 26 -4.442 -7.736 6.739 1.00 0.00 N ATOM 341 CA ILE A 26 -3.339 -6.809 6.961 1.00 0.00 C ATOM 342 C ILE A 26 -3.836 -5.369 7.025 1.00 0.00 C ATOM 343 O ILE A 26 -4.260 -4.801 6.018 1.00 0.00 O ATOM 344 CB ILE A 26 -2.275 -6.924 5.853 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.672 -8.330 5.839 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.188 -5.878 6.051 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.501 -8.476 4.893 1.00 0.00 C ATOM 0 H ILE A 26 -4.979 -7.558 5.890 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.888 -7.078 7.916 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.754 -6.744 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.348 -8.588 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.445 -9.045 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.444 -5.972 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.630 -4.882 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.710 -6.029 7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.124 -9.498 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.824 -8.250 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.290 -7.785 5.184 1.00 0.00 H new ATOM 359 N VAL A 27 -3.778 -4.781 8.216 1.00 0.00 N ATOM 360 CA VAL A 27 -4.220 -3.405 8.412 1.00 0.00 C ATOM 361 C VAL A 27 -3.171 -2.416 7.917 1.00 0.00 C ATOM 362 O VAL A 27 -2.193 -2.134 8.608 1.00 0.00 O ATOM 363 CB VAL A 27 -4.521 -3.118 9.895 1.00 0.00 C ATOM 364 CG1 VAL A 27 -5.029 -1.695 10.071 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.525 -4.123 10.439 1.00 0.00 C ATOM 0 H VAL A 27 -3.429 -5.236 9.060 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.135 -3.280 7.833 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.596 -3.220 10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.236 -1.510 11.125 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.272 -0.993 9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.943 -1.561 9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.726 -3.905 11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.452 -4.055 9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.117 -5.130 10.349 1.00 0.00 H new ATOM 375 N GLY A 28 -3.382 -1.891 6.714 1.00 0.00 N ATOM 376 CA GLY A 28 -2.446 -0.938 6.146 1.00 0.00 C ATOM 377 C GLY A 28 -2.614 0.454 6.724 1.00 0.00 C ATOM 378 O GLY A 28 -3.719 0.997 6.743 1.00 0.00 O ATOM 0 H GLY A 28 -4.184 -2.108 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.428 -1.282 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.583 -0.898 5.065 1.00 0.00 H new ATOM 382 N HIS A 29 -1.515 1.032 7.198 1.00 0.00 N ATOM 383 CA HIS A 29 -1.545 2.369 7.781 1.00 0.00 C ATOM 384 C HIS A 29 -0.516 3.276 7.113 1.00 0.00 C ATOM 385 O HIS A 29 0.462 2.801 6.535 1.00 0.00 O ATOM 386 CB HIS A 29 -1.280 2.299 9.285 1.00 0.00 C ATOM 387 CG HIS A 29 -2.487 1.923 10.089 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.803 2.517 11.292 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.457 1.010 9.854 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.916 1.983 11.765 1.00 0.00 C ATOM 391 NE2 HIS A 29 -4.333 1.066 10.910 1.00 0.00 N ATOM 0 H HIS A 29 -0.593 0.596 7.190 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.537 2.789 7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.488 1.574 9.473 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.913 3.267 9.626 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.263 3.253 11.746 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.529 0.358 8.996 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.401 2.251 12.692 1.00 0.00 H new ATOM 399 N TRP A 30 -0.744 4.582 7.195 1.00 0.00 N ATOM 400 CA TRP A 30 0.163 5.555 6.598 1.00 0.00 C ATOM 401 C TRP A 30 -0.186 6.971 7.044 1.00 0.00 C ATOM 402 O TRP A 30 -1.152 7.179 7.777 1.00 0.00 O ATOM 403 CB TRP A 30 0.112 5.461 5.072 1.00 0.00 C ATOM 404 CG TRP A 30 -1.262 5.665 4.510 1.00 0.00 C ATOM 405 CD1 TRP A 30 -1.845 6.856 4.181 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.226 4.649 4.213 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.113 6.641 3.698 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.371 5.296 3.706 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.234 3.256 4.324 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.508 4.596 3.314 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.364 2.563 3.934 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.488 3.233 3.433 1.00 0.00 C ATOM 0 H TRP A 30 -1.549 4.991 7.669 1.00 0.00 H new ATOM 0 HA TRP A 30 1.174 5.327 6.936 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.785 6.205 4.647 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.482 4.483 4.763 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.378 7.824 4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.758 7.366 3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.372 2.730 4.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.376 5.111 2.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.381 1.486 4.017 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.355 2.663 3.135 1.00 0.00 H new ATOM 423 N ALA A 31 0.606 7.940 6.597 1.00 0.00 N ATOM 424 CA ALA A 31 0.378 9.336 6.949 1.00 0.00 C ATOM 425 C ALA A 31 -0.052 10.146 5.731 1.00 0.00 C ATOM 426 O ALA A 31 0.076 9.708 4.588 1.00 0.00 O ATOM 427 CB ALA A 31 1.632 9.935 7.569 1.00 0.00 C ATOM 0 H ALA A 31 1.411 7.784 5.990 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.429 9.374 7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.448 10.978 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.894 9.379 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.454 9.878 6.855 1.00 0.00 H new ATOM 433 N PRO A 32 -0.575 11.356 5.979 1.00 0.00 N ATOM 434 CA PRO A 32 -1.034 12.253 4.914 1.00 0.00 C ATOM 435 C PRO A 32 0.120 12.813 4.089 1.00 0.00 C ATOM 436 O PRO A 32 1.211 13.071 4.599 1.00 0.00 O ATOM 437 CB PRO A 32 -1.740 13.377 5.677 1.00 0.00 C ATOM 438 CG PRO A 32 -1.106 13.376 7.026 1.00 0.00 C ATOM 439 CD PRO A 32 -0.757 11.942 7.317 1.00 0.00 C ATOM 0 HA PRO A 32 -1.673 11.739 4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.608 14.337 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.813 13.197 5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.216 14.005 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.788 13.772 7.778 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.150 11.863 7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.550 11.440 7.871 1.00 0.00 H new ATOM 447 N PRO A 33 -0.123 13.005 2.784 1.00 0.00 N ATOM 448 CA PRO A 33 0.884 13.537 1.861 1.00 0.00 C ATOM 449 C PRO A 33 1.189 15.008 2.122 1.00 0.00 C ATOM 450 O PRO A 33 0.293 15.852 2.092 1.00 0.00 O ATOM 451 CB PRO A 33 0.233 13.361 0.487 1.00 0.00 C ATOM 452 CG PRO A 33 -1.231 13.357 0.759 1.00 0.00 C ATOM 453 CD PRO A 33 -1.400 12.719 2.109 1.00 0.00 C ATOM 0 HA PRO A 33 1.841 13.026 1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.508 14.171 -0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.550 12.431 0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.632 14.371 0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.769 12.798 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.245 13.144 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.580 11.647 2.027 1.00 0.00 H new ATOM 461 N ILE A 34 2.458 15.308 2.376 1.00 0.00 N ATOM 462 CA ILE A 34 2.881 16.678 2.640 1.00 0.00 C ATOM 463 C ILE A 34 2.130 17.665 1.753 1.00 0.00 C ATOM 464 O ILE A 34 1.599 18.668 2.233 1.00 0.00 O ATOM 465 CB ILE A 34 4.395 16.853 2.416 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.182 16.021 3.430 1.00 0.00 C ATOM 467 CG2 ILE A 34 4.778 18.322 2.515 1.00 0.00 C ATOM 468 CD1 ILE A 34 6.599 15.720 2.995 1.00 0.00 C ATOM 0 H ILE A 34 3.211 14.621 2.405 1.00 0.00 H new ATOM 0 HA ILE A 34 2.651 16.884 3.685 1.00 0.00 H new ATOM 0 HB ILE A 34 4.643 16.500 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.208 16.552 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.656 15.082 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.851 18.430 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.239 18.890 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.519 18.700 3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.097 15.127 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.581 15.161 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.141 16.654 2.850 1.00 0.00 H new ATOM 480 N HIS A 35 2.087 17.374 0.457 1.00 0.00 N ATOM 481 CA HIS A 35 1.399 18.236 -0.498 1.00 0.00 C ATOM 482 C HIS A 35 0.929 17.437 -1.710 1.00 0.00 C ATOM 483 O HIS A 35 1.632 16.548 -2.192 1.00 0.00 O ATOM 484 CB HIS A 35 2.317 19.373 -0.946 1.00 0.00 C ATOM 485 CG HIS A 35 2.263 20.574 -0.054 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.270 21.528 -0.135 1.00 0.00 N ATOM 487 CD2 HIS A 35 3.085 20.973 0.944 1.00 0.00 C ATOM 488 CE1 HIS A 35 1.485 22.462 0.773 1.00 0.00 C ATOM 489 NE2 HIS A 35 2.580 22.150 1.442 1.00 0.00 N ATOM 0 H HIS A 35 2.520 16.548 0.044 1.00 0.00 H new ATOM 0 HA HIS A 35 0.525 18.660 -0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.343 19.006 -0.986 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.045 19.671 -1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.973 20.462 1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.870 23.334 0.940 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.985 22.694 2.204 1.00 0.00 H new ATOM 497 N THR A 36 -0.265 17.758 -2.199 1.00 0.00 N ATOM 498 CA THR A 36 -0.829 17.070 -3.353 1.00 0.00 C ATOM 499 C THR A 36 -1.206 18.057 -4.452 1.00 0.00 C ATOM 500 O THR A 36 -1.584 19.196 -4.174 1.00 0.00 O ATOM 501 CB THR A 36 -2.074 16.251 -2.965 1.00 0.00 C ATOM 502 OG1 THR A 36 -3.033 17.094 -2.316 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.699 15.099 -2.045 1.00 0.00 C ATOM 0 H THR A 36 -0.860 18.491 -1.813 1.00 0.00 H new ATOM 0 HA THR A 36 -0.059 16.394 -3.725 1.00 0.00 H new ATOM 0 HB THR A 36 -2.510 15.841 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.467 17.668 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.595 14.535 -1.785 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.992 14.443 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.241 15.492 -1.137 1.00 0.00 H new ATOM 511 N HIS A 37 -1.101 17.614 -5.700 1.00 0.00 N ATOM 512 CA HIS A 37 -1.433 18.459 -6.842 1.00 0.00 C ATOM 513 C HIS A 37 -2.616 19.367 -6.520 1.00 0.00 C ATOM 514 O HIS A 37 -2.549 20.581 -6.706 1.00 0.00 O ATOM 515 CB HIS A 37 -1.753 17.598 -8.065 1.00 0.00 C ATOM 516 CG HIS A 37 -0.539 17.019 -8.724 1.00 0.00 C ATOM 517 ND1 HIS A 37 0.576 17.767 -9.038 1.00 0.00 N ATOM 518 CD2 HIS A 37 -0.269 15.755 -9.127 1.00 0.00 C ATOM 519 CE1 HIS A 37 1.479 16.989 -9.607 1.00 0.00 C ATOM 520 NE2 HIS A 37 0.991 15.763 -9.672 1.00 0.00 N ATOM 0 H HIS A 37 -0.789 16.675 -5.947 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.568 19.084 -7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.415 16.786 -7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.298 18.201 -8.791 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.923 14.900 -9.037 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.451 17.302 -9.959 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.472 14.954 -10.064 1.00 0.00 H new ATOM 528 N GLY A 38 -3.701 18.768 -6.037 1.00 0.00 N ATOM 529 CA GLY A 38 -4.884 19.538 -5.699 1.00 0.00 C ATOM 530 C GLY A 38 -5.508 19.096 -4.390 1.00 0.00 C ATOM 531 O GLY A 38 -4.873 19.162 -3.337 1.00 0.00 O ATOM 0 H GLY A 38 -3.782 17.764 -5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.621 20.594 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.618 19.441 -6.499 1.00 0.00 H new ATOM 535 N LEU A 39 -6.756 18.645 -4.454 1.00 0.00 N ATOM 536 CA LEU A 39 -7.468 18.192 -3.264 1.00 0.00 C ATOM 537 C LEU A 39 -7.548 16.669 -3.224 1.00 0.00 C ATOM 538 O LEU A 39 -7.969 16.035 -4.192 1.00 0.00 O ATOM 539 CB LEU A 39 -8.875 18.789 -3.229 1.00 0.00 C ATOM 540 CG LEU A 39 -9.711 18.466 -1.989 1.00 0.00 C ATOM 541 CD1 LEU A 39 -10.683 19.597 -1.692 1.00 0.00 C ATOM 542 CD2 LEU A 39 -10.458 17.154 -2.177 1.00 0.00 C ATOM 0 H LEU A 39 -7.296 18.583 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.914 18.531 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.790 19.872 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.417 18.442 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.038 18.359 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.269 19.350 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.127 20.517 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.351 19.736 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.047 16.940 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.120 17.233 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.743 16.348 -2.341 1.00 0.00 H new ATOM 554 N ILE A 40 -7.143 16.089 -2.099 1.00 0.00 N ATOM 555 CA ILE A 40 -7.173 14.641 -1.933 1.00 0.00 C ATOM 556 C ILE A 40 -8.603 14.135 -1.775 1.00 0.00 C ATOM 557 O ILE A 40 -9.289 14.475 -0.812 1.00 0.00 O ATOM 558 CB ILE A 40 -6.346 14.198 -0.712 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.895 14.663 -0.855 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.409 12.686 -0.550 1.00 0.00 C ATOM 561 CD1 ILE A 40 -4.149 14.730 0.459 1.00 0.00 C ATOM 0 H ILE A 40 -6.790 16.599 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.736 14.211 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.769 14.658 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.369 13.985 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.882 15.648 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.820 12.388 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.445 12.378 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.008 12.207 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.128 15.067 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.651 15.430 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.130 13.741 0.917 1.00 0.00 H new ATOM 573 N ARG A 41 -9.044 13.320 -2.727 1.00 0.00 N ATOM 574 CA ARG A 41 -10.392 12.765 -2.694 1.00 0.00 C ATOM 575 C ARG A 41 -10.423 11.456 -1.910 1.00 0.00 C ATOM 576 O ARG A 41 -11.376 11.180 -1.182 1.00 0.00 O ATOM 577 CB ARG A 41 -10.907 12.533 -4.115 1.00 0.00 C ATOM 578 CG ARG A 41 -10.706 13.725 -5.038 1.00 0.00 C ATOM 579 CD ARG A 41 -11.682 13.697 -6.204 1.00 0.00 C ATOM 580 NE ARG A 41 -13.071 13.732 -5.755 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.107 13.850 -6.579 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.910 13.945 -7.887 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.342 13.874 -6.095 1.00 0.00 N ATOM 0 H ARG A 41 -8.488 13.029 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.041 13.484 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.400 11.666 -4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.969 12.292 -4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.837 14.649 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.684 13.725 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.491 14.548 -6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.515 12.797 -6.795 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.256 13.662 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.962 13.928 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.707 14.035 -8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.497 13.802 -5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.136 13.965 -6.728 1.00 0.00 H new ATOM 597 N GLU A 42 -9.374 10.655 -2.066 1.00 0.00 N ATOM 598 CA GLU A 42 -9.282 9.374 -1.374 1.00 0.00 C ATOM 599 C GLU A 42 -7.912 8.737 -1.588 1.00 0.00 C ATOM 600 O GLU A 42 -7.100 9.233 -2.370 1.00 0.00 O ATOM 601 CB GLU A 42 -10.380 8.426 -1.861 1.00 0.00 C ATOM 602 CG GLU A 42 -10.471 8.327 -3.375 1.00 0.00 C ATOM 603 CD GLU A 42 -11.854 7.928 -3.851 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.816 8.075 -3.069 1.00 0.00 O ATOM 605 OE2 GLU A 42 -11.974 7.468 -5.006 1.00 0.00 O ATOM 0 H GLU A 42 -8.577 10.870 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.416 9.556 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.199 7.433 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.340 8.763 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.202 9.287 -3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.744 7.598 -3.732 1.00 0.00 H new ATOM 612 N TYR A 43 -7.663 7.636 -0.889 1.00 0.00 N ATOM 613 CA TYR A 43 -6.391 6.931 -0.999 1.00 0.00 C ATOM 614 C TYR A 43 -6.611 5.461 -1.342 1.00 0.00 C ATOM 615 O TYR A 43 -7.305 4.742 -0.622 1.00 0.00 O ATOM 616 CB TYR A 43 -5.603 7.051 0.306 1.00 0.00 C ATOM 617 CG TYR A 43 -5.500 8.467 0.824 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.464 9.301 0.422 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.440 8.973 1.714 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.365 10.596 0.893 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.350 10.267 2.189 1.00 0.00 C ATOM 622 CZ TYR A 43 -5.311 11.074 1.776 1.00 0.00 C ATOM 623 OH TYR A 43 -5.217 12.364 2.247 1.00 0.00 O ATOM 0 H TYR A 43 -8.325 7.212 -0.240 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.818 7.391 -1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.077 6.429 1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.599 6.656 0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.723 8.930 -0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.255 8.344 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.552 11.230 0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.089 10.644 2.880 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.961 12.544 2.858 1.00 0.00 H new ATOM 633 N ILE A 44 -6.013 5.021 -2.444 1.00 0.00 N ATOM 634 CA ILE A 44 -6.141 3.637 -2.882 1.00 0.00 C ATOM 635 C ILE A 44 -5.048 2.765 -2.273 1.00 0.00 C ATOM 636 O ILE A 44 -3.976 3.253 -1.916 1.00 0.00 O ATOM 637 CB ILE A 44 -6.078 3.523 -4.416 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.814 2.267 -4.887 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.632 3.504 -4.887 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.179 2.295 -6.355 1.00 0.00 C ATOM 0 H ILE A 44 -5.435 5.603 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.115 3.287 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.570 4.393 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.189 1.395 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.723 2.146 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.604 3.423 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.137 4.425 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.117 2.650 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.698 1.373 -6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.830 3.147 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.273 2.385 -6.954 1.00 0.00 H new ATOM 652 N VAL A 45 -5.327 1.470 -2.159 1.00 0.00 N ATOM 653 CA VAL A 45 -4.367 0.528 -1.597 1.00 0.00 C ATOM 654 C VAL A 45 -4.293 -0.746 -2.431 1.00 0.00 C ATOM 655 O VAL A 45 -5.261 -1.500 -2.515 1.00 0.00 O ATOM 656 CB VAL A 45 -4.727 0.159 -0.145 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.401 1.308 0.795 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.195 -0.225 -0.043 1.00 0.00 C ATOM 0 H VAL A 45 -6.210 1.050 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.395 1.022 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.128 -0.702 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.662 1.028 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.335 1.531 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.971 2.190 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.433 -0.483 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.814 0.615 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.392 -1.083 -0.686 1.00 0.00 H new ATOM 668 N GLU A 46 -3.137 -0.978 -3.045 1.00 0.00 N ATOM 669 CA GLU A 46 -2.938 -2.162 -3.873 1.00 0.00 C ATOM 670 C GLU A 46 -2.100 -3.205 -3.140 1.00 0.00 C ATOM 671 O GLU A 46 -1.200 -2.865 -2.371 1.00 0.00 O ATOM 672 CB GLU A 46 -2.260 -1.781 -5.191 1.00 0.00 C ATOM 673 CG GLU A 46 -3.237 -1.489 -6.317 1.00 0.00 C ATOM 674 CD GLU A 46 -3.558 -2.718 -7.145 1.00 0.00 C ATOM 675 OE1 GLU A 46 -4.178 -3.655 -6.600 1.00 0.00 O ATOM 676 OE2 GLU A 46 -3.188 -2.742 -8.338 1.00 0.00 O ATOM 0 H GLU A 46 -2.325 -0.363 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.916 -2.593 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.635 -0.903 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.598 -2.591 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.159 -1.087 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.819 -0.718 -6.965 1.00 0.00 H new ATOM 683 N TYR A 47 -2.402 -4.475 -3.382 1.00 0.00 N ATOM 684 CA TYR A 47 -1.679 -5.568 -2.743 1.00 0.00 C ATOM 685 C TYR A 47 -1.714 -6.824 -3.608 1.00 0.00 C ATOM 686 O TYR A 47 -2.652 -7.037 -4.376 1.00 0.00 O ATOM 687 CB TYR A 47 -2.276 -5.867 -1.367 1.00 0.00 C ATOM 688 CG TYR A 47 -3.753 -6.189 -1.405 1.00 0.00 C ATOM 689 CD1 TYR A 47 -4.700 -5.185 -1.566 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.202 -7.498 -1.280 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.050 -5.475 -1.600 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.550 -7.798 -1.315 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.470 -6.783 -1.475 1.00 0.00 C ATOM 694 OH TYR A 47 -7.814 -7.076 -1.510 1.00 0.00 O ATOM 0 H TYR A 47 -3.143 -4.774 -4.016 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.640 -5.260 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.741 -6.706 -0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.117 -5.007 -0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.375 -4.160 -1.666 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.484 -8.295 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.773 -4.682 -1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.881 -8.821 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.941 -8.043 -1.409 1.00 0.00 H new ATOM 704 N SER A 48 -0.684 -7.654 -3.477 1.00 0.00 N ATOM 705 CA SER A 48 -0.593 -8.888 -4.249 1.00 0.00 C ATOM 706 C SER A 48 0.350 -9.881 -3.577 1.00 0.00 C ATOM 707 O SER A 48 1.491 -9.548 -3.253 1.00 0.00 O ATOM 708 CB SER A 48 -0.112 -8.591 -5.670 1.00 0.00 C ATOM 709 OG SER A 48 0.180 -9.789 -6.370 1.00 0.00 O ATOM 0 H SER A 48 0.099 -7.494 -2.843 1.00 0.00 H new ATOM 0 HA SER A 48 -1.587 -9.333 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.877 -8.030 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.777 -7.962 -5.632 1.00 0.00 H new ATOM 0 HG SER A 48 0.185 -9.612 -7.334 1.00 0.00 H new ATOM 715 N ARG A 49 -0.134 -11.101 -3.371 1.00 0.00 N ATOM 716 CA ARG A 49 0.665 -12.143 -2.737 1.00 0.00 C ATOM 717 C ARG A 49 2.000 -12.318 -3.455 1.00 0.00 C ATOM 718 O ARG A 49 2.047 -12.435 -4.680 1.00 0.00 O ATOM 719 CB ARG A 49 -0.099 -13.468 -2.730 1.00 0.00 C ATOM 720 CG ARG A 49 0.479 -14.499 -1.774 1.00 0.00 C ATOM 721 CD ARG A 49 -0.113 -15.879 -2.019 1.00 0.00 C ATOM 722 NE ARG A 49 0.338 -16.451 -3.285 1.00 0.00 N ATOM 723 CZ ARG A 49 0.051 -17.687 -3.676 1.00 0.00 C ATOM 724 NH1 ARG A 49 -0.683 -18.477 -2.905 1.00 0.00 N ATOM 725 NH2 ARG A 49 0.498 -18.136 -4.842 1.00 0.00 N ATOM 0 H ARG A 49 -1.075 -11.393 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 49 0.862 -11.839 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.138 -13.277 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.102 -13.881 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.562 -14.540 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.282 -14.195 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.166 -16.543 -1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.201 -15.812 -2.019 1.00 0.00 H new ATOM 0 HE ARG A 49 0.904 -15.869 -3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.029 -18.136 -2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.902 -19.426 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.063 -17.531 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.277 -19.086 -5.141 1.00 0.00 H new ATOM 739 N SER A 50 3.083 -12.333 -2.685 1.00 0.00 N ATOM 740 CA SER A 50 4.419 -12.489 -3.247 1.00 0.00 C ATOM 741 C SER A 50 4.414 -13.506 -4.385 1.00 0.00 C ATOM 742 O SER A 50 4.526 -14.710 -4.157 1.00 0.00 O ATOM 743 CB SER A 50 5.405 -12.926 -2.162 1.00 0.00 C ATOM 744 OG SER A 50 6.707 -13.096 -2.694 1.00 0.00 O ATOM 0 H SER A 50 3.061 -12.239 -1.670 1.00 0.00 H new ATOM 0 HA SER A 50 4.733 -11.524 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.428 -12.181 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.067 -13.861 -1.714 1.00 0.00 H new ATOM 0 HG SER A 50 7.318 -13.374 -1.980 1.00 0.00 H new ATOM 750 N GLY A 51 4.284 -13.012 -5.612 1.00 0.00 N ATOM 751 CA GLY A 51 4.267 -13.889 -6.768 1.00 0.00 C ATOM 752 C GLY A 51 2.914 -13.921 -7.451 1.00 0.00 C ATOM 753 O GLY A 51 2.238 -14.949 -7.456 1.00 0.00 O ATOM 0 H GLY A 51 4.190 -12.019 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.023 -13.560 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.538 -14.898 -6.459 1.00 0.00 H new ATOM 757 N SER A 52 2.518 -12.791 -8.029 1.00 0.00 N ATOM 758 CA SER A 52 1.235 -12.692 -8.715 1.00 0.00 C ATOM 759 C SER A 52 1.192 -11.458 -9.611 1.00 0.00 C ATOM 760 O SER A 52 1.679 -10.390 -9.241 1.00 0.00 O ATOM 761 CB SER A 52 0.093 -12.638 -7.698 1.00 0.00 C ATOM 762 OG SER A 52 -0.297 -13.941 -7.300 1.00 0.00 O ATOM 0 H SER A 52 3.067 -11.932 -8.036 1.00 0.00 H new ATOM 0 HA SER A 52 1.115 -13.577 -9.340 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.406 -12.066 -6.825 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.760 -12.116 -8.132 1.00 0.00 H new ATOM 0 HG SER A 52 0.480 -14.537 -7.326 1.00 0.00 H new ATOM 768 N LYS A 53 0.605 -11.614 -10.793 1.00 0.00 N ATOM 769 CA LYS A 53 0.495 -10.514 -11.744 1.00 0.00 C ATOM 770 C LYS A 53 -0.755 -9.683 -11.472 1.00 0.00 C ATOM 771 O LYS A 53 -0.773 -8.476 -11.713 1.00 0.00 O ATOM 772 CB LYS A 53 0.462 -11.052 -13.176 1.00 0.00 C ATOM 773 CG LYS A 53 1.596 -12.012 -13.491 1.00 0.00 C ATOM 774 CD LYS A 53 1.803 -12.158 -14.990 1.00 0.00 C ATOM 775 CE LYS A 53 0.938 -13.268 -15.567 1.00 0.00 C ATOM 776 NZ LYS A 53 0.819 -13.165 -17.047 1.00 0.00 N ATOM 0 H LYS A 53 0.198 -12.492 -11.115 1.00 0.00 H new ATOM 0 HA LYS A 53 1.369 -9.874 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.489 -11.558 -13.343 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.503 -10.214 -13.871 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.516 -11.654 -13.029 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.379 -12.988 -13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.566 -11.216 -15.485 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.853 -12.370 -15.194 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.365 -14.236 -15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.055 -13.225 -15.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.222 -13.939 -17.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.388 -12.252 -17.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.764 -13.232 -17.477 1.00 0.00 H new ATOM 790 N MET A 54 -1.797 -10.336 -10.969 1.00 0.00 N ATOM 791 CA MET A 54 -3.050 -9.656 -10.663 1.00 0.00 C ATOM 792 C MET A 54 -3.019 -9.068 -9.256 1.00 0.00 C ATOM 793 O MET A 54 -2.801 -9.785 -8.279 1.00 0.00 O ATOM 794 CB MET A 54 -4.227 -10.624 -10.799 1.00 0.00 C ATOM 795 CG MET A 54 -5.539 -10.061 -10.278 1.00 0.00 C ATOM 796 SD MET A 54 -6.459 -9.161 -11.541 1.00 0.00 S ATOM 797 CE MET A 54 -7.111 -10.516 -12.515 1.00 0.00 C ATOM 0 H MET A 54 -1.799 -11.335 -10.765 1.00 0.00 H new ATOM 0 HA MET A 54 -3.176 -8.841 -11.376 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.347 -10.892 -11.849 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.996 -11.543 -10.260 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.154 -10.876 -9.898 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.337 -9.396 -9.438 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.882 -10.142 -13.189 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.307 -10.965 -13.098 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.541 -11.267 -11.852 1.00 0.00 H new ATOM 807 N TRP A 55 -3.239 -7.762 -9.160 1.00 0.00 N ATOM 808 CA TRP A 55 -3.236 -7.079 -7.872 1.00 0.00 C ATOM 809 C TRP A 55 -4.629 -6.567 -7.523 1.00 0.00 C ATOM 810 O TRP A 55 -5.424 -6.254 -8.409 1.00 0.00 O ATOM 811 CB TRP A 55 -2.242 -5.916 -7.890 1.00 0.00 C ATOM 812 CG TRP A 55 -0.811 -6.359 -7.941 1.00 0.00 C ATOM 813 CD1 TRP A 55 -0.257 -7.243 -8.823 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.247 -5.939 -7.073 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.081 -7.398 -8.555 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.416 -6.609 -7.486 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.322 -5.062 -5.987 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.642 -6.428 -6.851 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.540 -4.884 -5.358 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.686 -5.563 -5.792 1.00 0.00 C ATOM 0 H TRP A 55 -3.422 -7.155 -9.959 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.932 -7.797 -7.110 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.450 -5.283 -8.753 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.394 -5.304 -7.001 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.792 -7.746 -9.615 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.722 -8.003 -9.069 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.556 -4.533 -5.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.526 -6.952 -7.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.609 -4.210 -4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.623 -5.400 -5.280 1.00 0.00 H new ATOM 831 N ALA A 56 -4.918 -6.484 -6.229 1.00 0.00 N ATOM 832 CA ALA A 56 -6.215 -6.008 -5.765 1.00 0.00 C ATOM 833 C ALA A 56 -6.118 -4.582 -5.232 1.00 0.00 C ATOM 834 O ALA A 56 -5.315 -4.294 -4.345 1.00 0.00 O ATOM 835 CB ALA A 56 -6.766 -6.937 -4.693 1.00 0.00 C ATOM 0 H ALA A 56 -4.271 -6.740 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.898 -6.005 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.735 -6.569 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.882 -7.940 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.076 -6.969 -3.849 1.00 0.00 H new ATOM 841 N SER A 57 -6.941 -3.694 -5.780 1.00 0.00 N ATOM 842 CA SER A 57 -6.945 -2.296 -5.363 1.00 0.00 C ATOM 843 C SER A 57 -8.291 -1.915 -4.754 1.00 0.00 C ATOM 844 O SER A 57 -9.338 -2.389 -5.192 1.00 0.00 O ATOM 845 CB SER A 57 -6.634 -1.386 -6.553 1.00 0.00 C ATOM 846 OG SER A 57 -7.668 -1.440 -7.520 1.00 0.00 O ATOM 0 H SER A 57 -7.614 -3.917 -6.514 1.00 0.00 H new ATOM 0 HA SER A 57 -6.173 -2.166 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.508 -0.360 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.690 -1.687 -7.008 1.00 0.00 H new ATOM 0 HG SER A 57 -7.446 -0.849 -8.269 1.00 0.00 H new ATOM 852 N GLN A 58 -8.252 -1.054 -3.742 1.00 0.00 N ATOM 853 CA GLN A 58 -9.468 -0.609 -3.072 1.00 0.00 C ATOM 854 C GLN A 58 -9.306 0.809 -2.534 1.00 0.00 C ATOM 855 O GLN A 58 -8.201 1.229 -2.189 1.00 0.00 O ATOM 856 CB GLN A 58 -9.825 -1.562 -1.930 1.00 0.00 C ATOM 857 CG GLN A 58 -8.773 -1.618 -0.833 1.00 0.00 C ATOM 858 CD GLN A 58 -9.258 -2.349 0.403 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.448 -2.338 0.719 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.336 -2.991 1.111 1.00 0.00 N ATOM 0 H GLN A 58 -7.393 -0.651 -3.369 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.276 -0.611 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.776 -1.254 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.969 -2.564 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.880 -2.112 -1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.483 -0.603 -0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.361 -2.974 0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.603 -3.501 1.953 1.00 0.00 H new ATOM 869 N ARG A 59 -10.413 1.541 -2.467 1.00 0.00 N ATOM 870 CA ARG A 59 -10.392 2.913 -1.973 1.00 0.00 C ATOM 871 C ARG A 59 -10.445 2.943 -0.448 1.00 0.00 C ATOM 872 O ARG A 59 -11.069 2.086 0.177 1.00 0.00 O ATOM 873 CB ARG A 59 -11.568 3.703 -2.551 1.00 0.00 C ATOM 874 CG ARG A 59 -11.273 4.333 -3.902 1.00 0.00 C ATOM 875 CD ARG A 59 -10.966 3.278 -4.953 1.00 0.00 C ATOM 876 NE ARG A 59 -12.143 2.484 -5.293 1.00 0.00 N ATOM 877 CZ ARG A 59 -13.123 2.920 -6.077 1.00 0.00 C ATOM 878 NH1 ARG A 59 -13.065 4.137 -6.601 1.00 0.00 N ATOM 879 NH2 ARG A 59 -14.162 2.138 -6.340 1.00 0.00 N ATOM 0 H ARG A 59 -11.335 1.208 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.459 3.375 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.427 3.040 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.849 4.487 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.128 4.929 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.427 5.014 -3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.584 3.762 -5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.178 2.620 -4.586 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.217 1.543 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.267 4.740 -6.402 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.819 4.470 -7.203 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.209 1.201 -5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.914 2.474 -6.942 1.00 0.00 H new ATOM 893 N ALA A 60 -9.787 3.934 0.142 1.00 0.00 N ATOM 894 CA ALA A 60 -9.760 4.077 1.593 1.00 0.00 C ATOM 895 C ALA A 60 -10.121 5.498 2.012 1.00 0.00 C ATOM 896 O ALA A 60 -9.553 6.466 1.509 1.00 0.00 O ATOM 897 CB ALA A 60 -8.391 3.696 2.135 1.00 0.00 C ATOM 0 H ALA A 60 -9.265 4.651 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.506 3.402 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.385 3.807 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.172 2.660 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.633 4.347 1.699 1.00 0.00 H new ATOM 903 N ALA A 61 -11.070 5.615 2.935 1.00 0.00 N ATOM 904 CA ALA A 61 -11.505 6.918 3.422 1.00 0.00 C ATOM 905 C ALA A 61 -10.437 7.560 4.301 1.00 0.00 C ATOM 906 O ALA A 61 -10.028 8.697 4.065 1.00 0.00 O ATOM 907 CB ALA A 61 -12.812 6.785 4.189 1.00 0.00 C ATOM 0 H ALA A 61 -11.552 4.823 3.360 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.666 7.565 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.125 7.766 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.580 6.376 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.669 6.117 5.039 1.00 0.00 H new ATOM 913 N SER A 62 -9.990 6.825 5.314 1.00 0.00 N ATOM 914 CA SER A 62 -8.972 7.326 6.231 1.00 0.00 C ATOM 915 C SER A 62 -7.573 6.976 5.733 1.00 0.00 C ATOM 916 O SER A 62 -7.413 6.376 4.671 1.00 0.00 O ATOM 917 CB SER A 62 -9.188 6.747 7.630 1.00 0.00 C ATOM 918 OG SER A 62 -8.077 7.013 8.469 1.00 0.00 O ATOM 0 H SER A 62 -10.316 5.881 5.521 1.00 0.00 H new ATOM 0 HA SER A 62 -9.061 8.411 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.090 7.174 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.346 5.671 7.561 1.00 0.00 H new ATOM 0 HG SER A 62 -7.639 6.170 8.708 1.00 0.00 H new ATOM 924 N ASN A 63 -6.564 7.355 6.509 1.00 0.00 N ATOM 925 CA ASN A 63 -5.177 7.082 6.148 1.00 0.00 C ATOM 926 C ASN A 63 -4.785 5.659 6.535 1.00 0.00 C ATOM 927 O ASN A 63 -3.724 5.433 7.118 1.00 0.00 O ATOM 928 CB ASN A 63 -4.244 8.084 6.831 1.00 0.00 C ATOM 929 CG ASN A 63 -4.219 9.425 6.123 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.264 10.013 5.844 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.020 9.915 5.828 1.00 0.00 N ATOM 0 H ASN A 63 -6.680 7.852 7.392 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.081 7.185 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.562 8.227 7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.235 7.674 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.939 10.813 5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.180 9.393 6.078 1.00 0.00 H new ATOM 938 N PHE A 64 -5.646 4.703 6.205 1.00 0.00 N ATOM 939 CA PHE A 64 -5.390 3.302 6.518 1.00 0.00 C ATOM 940 C PHE A 64 -6.404 2.396 5.825 1.00 0.00 C ATOM 941 O PHE A 64 -7.293 2.867 5.115 1.00 0.00 O ATOM 942 CB PHE A 64 -5.439 3.078 8.031 1.00 0.00 C ATOM 943 CG PHE A 64 -6.808 2.726 8.541 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.896 3.536 8.259 1.00 0.00 C ATOM 945 CD2 PHE A 64 -7.006 1.585 9.302 1.00 0.00 C ATOM 946 CE1 PHE A 64 -9.157 3.215 8.726 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.264 1.259 9.771 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.340 2.075 9.484 1.00 0.00 C ATOM 0 H PHE A 64 -6.528 4.873 5.721 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.394 3.050 6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.745 2.280 8.295 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.093 3.980 8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.757 4.429 7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.168 0.944 9.531 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.997 3.854 8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.406 0.366 10.362 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.324 1.822 9.852 1.00 0.00 H new ATOM 958 N THR A 65 -6.263 1.091 6.036 1.00 0.00 N ATOM 959 CA THR A 65 -7.164 0.118 5.431 1.00 0.00 C ATOM 960 C THR A 65 -6.939 -1.274 6.011 1.00 0.00 C ATOM 961 O THR A 65 -6.004 -1.492 6.780 1.00 0.00 O ATOM 962 CB THR A 65 -6.984 0.060 3.903 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.118 -0.573 3.300 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.718 -0.700 3.535 1.00 0.00 C ATOM 0 H THR A 65 -5.534 0.684 6.621 1.00 0.00 H new ATOM 0 HA THR A 65 -8.179 0.444 5.658 1.00 0.00 H new ATOM 0 HB THR A 65 -6.897 1.081 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.162 -0.331 2.351 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.612 -0.728 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.853 -0.200 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.780 -1.718 3.920 1.00 0.00 H new ATOM 972 N GLU A 66 -7.803 -2.213 5.638 1.00 0.00 N ATOM 973 CA GLU A 66 -7.698 -3.584 6.122 1.00 0.00 C ATOM 974 C GLU A 66 -7.789 -4.577 4.967 1.00 0.00 C ATOM 975 O GLU A 66 -8.881 -4.897 4.495 1.00 0.00 O ATOM 976 CB GLU A 66 -8.797 -3.873 7.146 1.00 0.00 C ATOM 977 CG GLU A 66 -8.395 -3.558 8.577 1.00 0.00 C ATOM 978 CD GLU A 66 -9.573 -3.145 9.438 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.656 -3.749 9.289 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.411 -2.219 10.260 1.00 0.00 O ATOM 0 H GLU A 66 -8.583 -2.049 5.002 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.726 -3.699 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.682 -3.291 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.076 -4.924 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.918 -4.434 9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.654 -2.759 8.574 1.00 0.00 H new ATOM 987 N ILE A 67 -6.636 -5.061 4.518 1.00 0.00 N ATOM 988 CA ILE A 67 -6.586 -6.018 3.420 1.00 0.00 C ATOM 989 C ILE A 67 -6.886 -7.431 3.908 1.00 0.00 C ATOM 990 O ILE A 67 -6.029 -8.094 4.492 1.00 0.00 O ATOM 991 CB ILE A 67 -5.210 -6.008 2.727 1.00 0.00 C ATOM 992 CG1 ILE A 67 -4.915 -4.620 2.153 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.162 -7.062 1.631 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.479 -4.443 1.711 1.00 0.00 C ATOM 0 H ILE A 67 -5.724 -4.806 4.898 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.348 -5.715 2.702 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.445 -6.245 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.573 -4.439 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.151 -3.867 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.184 -7.043 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.334 -8.047 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.934 -6.852 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.342 -3.437 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.815 -4.592 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.244 -5.173 0.936 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.109 -7.888 3.663 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.524 -9.225 4.073 1.00 0.00 C ATOM 1008 C LYS A 68 -8.401 -10.212 2.917 1.00 0.00 C ATOM 1009 O LYS A 68 -7.982 -9.847 1.820 1.00 0.00 O ATOM 1010 CB LYS A 68 -9.966 -9.199 4.585 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.311 -7.945 5.370 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.399 -8.212 6.396 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.248 -7.314 7.615 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.496 -7.265 8.426 1.00 0.00 N ATOM 0 H LYS A 68 -8.831 -7.352 3.182 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.865 -9.552 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.645 -9.285 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.134 -10.071 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.419 -7.572 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.640 -7.164 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.377 -8.050 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.361 -9.257 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.427 -7.676 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.984 -6.307 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.352 -6.643 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.274 -6.895 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.734 -8.223 8.755 1.00 0.00 H new ATOM 1028 N ASN A 69 -8.769 -11.463 3.172 1.00 0.00 N ATOM 1029 CA ASN A 69 -8.700 -12.503 2.152 1.00 0.00 C ATOM 1030 C ASN A 69 -7.251 -12.853 1.829 1.00 0.00 C ATOM 1031 O ASN A 69 -6.873 -12.968 0.662 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.422 -12.049 0.882 1.00 0.00 C ATOM 1033 CG ASN A 69 -10.726 -11.334 1.182 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -11.439 -11.689 2.120 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.043 -10.322 0.383 1.00 0.00 N ATOM 0 H ASN A 69 -9.118 -11.781 4.076 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.192 -13.394 2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.770 -11.386 0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.623 -12.916 0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.908 -9.804 0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.421 -10.063 -0.383 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.443 -13.024 2.870 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.035 -13.362 2.698 1.00 0.00 C ATOM 1044 C LEU A 70 -4.718 -14.712 3.332 1.00 0.00 C ATOM 1045 O LEU A 70 -5.495 -15.231 4.136 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.150 -12.276 3.314 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.405 -10.849 2.829 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -3.496 -9.869 3.555 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.201 -10.752 1.324 1.00 0.00 C ATOM 0 H LEU A 70 -6.739 -12.934 3.842 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.830 -13.426 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.280 -12.300 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.108 -12.526 3.113 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.440 -10.589 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.691 -8.858 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.690 -9.918 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.455 -10.127 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.387 -9.729 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.177 -11.032 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.893 -11.426 0.819 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.571 -15.277 2.969 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.150 -16.566 3.504 1.00 0.00 C ATOM 1063 C LEU A 71 -2.128 -16.384 4.622 1.00 0.00 C ATOM 1064 O LEU A 71 -1.103 -15.727 4.439 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.557 -17.433 2.392 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.439 -17.639 1.159 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.598 -18.073 -0.032 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.528 -18.662 1.447 1.00 0.00 C ATOM 0 H LEU A 71 -2.916 -14.862 2.306 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.027 -17.064 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.617 -16.984 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.317 -18.411 2.810 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.916 -16.690 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.242 -18.215 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.856 -17.306 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.093 -19.010 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.146 -18.796 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.071 -19.614 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.149 -18.310 2.271 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.412 -16.973 5.779 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.517 -16.879 6.925 1.00 0.00 C ATOM 1082 C VAL A 72 -0.107 -17.332 6.560 1.00 0.00 C ATOM 1083 O VAL A 72 0.086 -18.087 5.609 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.026 -17.725 8.107 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.300 -17.126 8.683 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.254 -19.165 7.671 1.00 0.00 C ATOM 0 H VAL A 72 -3.256 -17.521 5.947 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.494 -15.831 7.222 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.266 -17.721 8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.645 -17.737 9.517 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.100 -16.113 9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.070 -17.097 7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.614 -19.749 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.995 -19.190 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.317 -19.589 7.310 1.00 0.00 H new ATOM 1096 N ASN A 73 0.875 -16.864 7.324 1.00 0.00 N ATOM 1097 CA ASN A 73 2.268 -17.221 7.081 1.00 0.00 C ATOM 1098 C ASN A 73 2.617 -17.076 5.603 1.00 0.00 C ATOM 1099 O ASN A 73 3.260 -17.946 5.016 1.00 0.00 O ATOM 1100 CB ASN A 73 2.536 -18.656 7.541 1.00 0.00 C ATOM 1101 CG ASN A 73 1.700 -19.671 6.786 1.00 0.00 C ATOM 1102 OD1 ASN A 73 1.808 -19.797 5.566 1.00 0.00 O ATOM 1103 ND2 ASN A 73 0.859 -20.401 7.510 1.00 0.00 N ATOM 0 H ASN A 73 0.732 -16.237 8.116 1.00 0.00 H new ATOM 0 HA ASN A 73 2.897 -16.539 7.653 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.593 -18.887 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.326 -18.738 8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.270 -21.100 7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.802 -20.263 8.519 1.00 0.00 H new ATOM 1110 N THR A 74 2.189 -15.968 5.006 1.00 0.00 N ATOM 1111 CA THR A 74 2.455 -15.707 3.597 1.00 0.00 C ATOM 1112 C THR A 74 2.857 -14.254 3.373 1.00 0.00 C ATOM 1113 O THR A 74 2.189 -13.334 3.847 1.00 0.00 O ATOM 1114 CB THR A 74 1.227 -16.028 2.724 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.741 -17.341 3.026 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.575 -15.937 1.246 1.00 0.00 C ATOM 0 H THR A 74 1.656 -15.237 5.477 1.00 0.00 H new ATOM 0 HA THR A 74 3.279 -16.358 3.306 1.00 0.00 H new ATOM 0 HB THR A 74 0.451 -15.295 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.418 -17.366 3.951 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.692 -16.168 0.650 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.916 -14.928 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.366 -16.650 1.014 1.00 0.00 H new ATOM 1124 N LEU A 75 3.952 -14.053 2.648 1.00 0.00 N ATOM 1125 CA LEU A 75 4.444 -12.710 2.360 1.00 0.00 C ATOM 1126 C LEU A 75 3.514 -11.986 1.392 1.00 0.00 C ATOM 1127 O LEU A 75 3.307 -12.432 0.264 1.00 0.00 O ATOM 1128 CB LEU A 75 5.856 -12.777 1.775 1.00 0.00 C ATOM 1129 CG LEU A 75 6.660 -11.477 1.814 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.774 -10.290 1.469 1.00 0.00 C ATOM 1131 CD2 LEU A 75 7.301 -11.287 3.181 1.00 0.00 C ATOM 0 H LEU A 75 4.516 -14.803 2.249 1.00 0.00 H new ATOM 0 HA LEU A 75 4.471 -12.151 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.415 -13.543 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.783 -13.105 0.738 1.00 0.00 H new ATOM 0 HG LEU A 75 7.453 -11.541 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.364 -9.374 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.363 -10.421 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.959 -10.223 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.869 -10.357 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.524 -11.245 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.969 -12.123 3.389 1.00 0.00 H new ATOM 1143 N TYR A 76 2.957 -10.866 1.841 1.00 0.00 N ATOM 1144 CA TYR A 76 2.049 -10.080 1.015 1.00 0.00 C ATOM 1145 C TYR A 76 2.546 -8.644 0.874 1.00 0.00 C ATOM 1146 O TYR A 76 2.866 -7.984 1.863 1.00 0.00 O ATOM 1147 CB TYR A 76 0.643 -10.088 1.616 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.225 -11.218 1.111 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -1.011 -11.062 -0.025 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -0.261 -12.441 1.769 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.806 -12.091 -0.490 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.052 -13.476 1.310 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.823 -13.296 0.180 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.614 -14.324 -0.279 1.00 0.00 O ATOM 0 H TYR A 76 3.119 -10.483 2.772 1.00 0.00 H new ATOM 0 HA TYR A 76 2.016 -10.533 0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.721 -10.158 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.156 -9.139 1.392 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.000 -10.120 -0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.340 -12.585 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.411 -11.953 -1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.067 -14.421 1.833 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.509 -15.103 0.306 1.00 0.00 H new ATOM 1164 N THR A 77 2.608 -8.165 -0.365 1.00 0.00 N ATOM 1165 CA THR A 77 3.066 -6.808 -0.638 1.00 0.00 C ATOM 1166 C THR A 77 1.891 -5.843 -0.747 1.00 0.00 C ATOM 1167 O THR A 77 0.819 -6.206 -1.232 1.00 0.00 O ATOM 1168 CB THR A 77 3.890 -6.745 -1.937 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.839 -7.817 -1.968 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.618 -5.413 -2.051 1.00 0.00 C ATOM 0 H THR A 77 2.347 -8.697 -1.195 1.00 0.00 H new ATOM 0 HA THR A 77 3.698 -6.513 0.199 1.00 0.00 H new ATOM 0 HB THR A 77 3.206 -6.842 -2.780 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.358 -7.771 -2.798 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.194 -5.391 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.891 -4.601 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.291 -5.292 -1.202 1.00 0.00 H new ATOM 1178 N VAL A 78 2.099 -4.611 -0.293 1.00 0.00 N ATOM 1179 CA VAL A 78 1.057 -3.593 -0.342 1.00 0.00 C ATOM 1180 C VAL A 78 1.633 -2.234 -0.725 1.00 0.00 C ATOM 1181 O VAL A 78 2.833 -1.996 -0.583 1.00 0.00 O ATOM 1182 CB VAL A 78 0.331 -3.467 1.011 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -0.790 -2.442 0.923 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.206 -4.819 1.455 1.00 0.00 C ATOM 0 H VAL A 78 2.980 -4.294 0.113 1.00 0.00 H new ATOM 0 HA VAL A 78 0.342 -3.909 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 78 1.047 -3.123 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.291 -2.367 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.375 -1.471 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.508 -2.753 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.716 -4.711 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.908 -5.194 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.620 -5.522 1.561 1.00 0.00 H new ATOM 1194 N ARG A 79 0.771 -1.347 -1.210 1.00 0.00 N ATOM 1195 CA ARG A 79 1.195 -0.012 -1.614 1.00 0.00 C ATOM 1196 C ARG A 79 0.005 0.941 -1.676 1.00 0.00 C ATOM 1197 O ARG A 79 -1.036 0.615 -2.248 1.00 0.00 O ATOM 1198 CB ARG A 79 1.891 -0.065 -2.975 1.00 0.00 C ATOM 1199 CG ARG A 79 1.231 -1.016 -3.960 1.00 0.00 C ATOM 1200 CD ARG A 79 2.186 -1.415 -5.074 1.00 0.00 C ATOM 1201 NE ARG A 79 2.112 -0.503 -6.212 1.00 0.00 N ATOM 1202 CZ ARG A 79 3.031 -0.447 -7.170 1.00 0.00 C ATOM 1203 NH1 ARG A 79 4.087 -1.247 -7.127 1.00 0.00 N ATOM 1204 NH2 ARG A 79 2.894 0.410 -8.173 1.00 0.00 N ATOM 0 H ARG A 79 -0.225 -1.529 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 79 1.898 0.360 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.907 0.937 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.929 -0.367 -2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.891 -1.908 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.348 -0.542 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.205 -1.432 -4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.954 -2.427 -5.405 1.00 0.00 H new ATOM 0 HE ARG A 79 1.311 0.125 -6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.195 -1.907 -6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.791 -1.202 -7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.083 1.027 -8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.600 0.452 -8.908 1.00 0.00 H new ATOM 1218 N VAL A 80 0.165 2.120 -1.083 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.896 3.120 -1.072 1.00 0.00 C ATOM 1220 C VAL A 80 -0.584 4.262 -2.032 1.00 0.00 C ATOM 1221 O VAL A 80 0.579 4.553 -2.311 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.109 3.696 0.341 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.241 4.711 0.339 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.385 2.578 1.335 1.00 0.00 C ATOM 0 H VAL A 80 1.019 2.406 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.808 2.618 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.197 4.207 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.377 5.107 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.997 5.527 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.162 4.228 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.533 3.002 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.282 2.037 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.538 1.892 1.356 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.632 4.906 -2.536 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.470 6.019 -3.465 1.00 0.00 C ATOM 1236 C ALA A 81 -2.568 7.059 -3.270 1.00 0.00 C ATOM 1237 O ALA A 81 -3.750 6.723 -3.206 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.468 5.512 -4.899 1.00 0.00 C ATOM 0 H ALA A 81 -2.601 4.677 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.512 6.497 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.346 6.353 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.644 4.811 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.412 5.008 -5.108 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.169 8.323 -3.177 1.00 0.00 N ATOM 1245 CA ALA A 82 -3.119 9.413 -2.991 1.00 0.00 C ATOM 1246 C ALA A 82 -3.784 9.792 -4.310 1.00 0.00 C ATOM 1247 O ALA A 82 -3.109 10.038 -5.310 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.424 10.621 -2.382 1.00 0.00 C ATOM 0 H ALA A 82 -1.194 8.618 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.896 9.072 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.146 11.427 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.002 10.349 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.626 10.954 -3.045 1.00 0.00 H new ATOM 1254 N VAL A 83 -5.113 9.836 -4.307 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.869 10.186 -5.503 1.00 0.00 C ATOM 1256 C VAL A 83 -6.206 11.672 -5.525 1.00 0.00 C ATOM 1257 O VAL A 83 -6.513 12.267 -4.491 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.174 9.373 -5.599 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.203 10.113 -6.441 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.900 7.991 -6.172 1.00 0.00 C ATOM 0 H VAL A 83 -5.688 9.633 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.237 9.948 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.580 9.251 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.118 9.524 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.421 11.078 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.808 10.268 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.833 7.431 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.470 8.089 -7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.200 7.461 -5.526 1.00 0.00 H new ATOM 1270 N THR A 84 -6.148 12.269 -6.712 1.00 0.00 N ATOM 1271 CA THR A 84 -6.447 13.687 -6.870 1.00 0.00 C ATOM 1272 C THR A 84 -7.495 13.911 -7.954 1.00 0.00 C ATOM 1273 O THR A 84 -7.818 13.000 -8.716 1.00 0.00 O ATOM 1274 CB THR A 84 -5.181 14.492 -7.221 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.490 13.868 -8.309 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.255 14.595 -6.019 1.00 0.00 C ATOM 0 H THR A 84 -5.897 11.792 -7.578 1.00 0.00 H new ATOM 0 HA THR A 84 -6.837 14.036 -5.914 1.00 0.00 H new ATOM 0 HB THR A 84 -5.485 15.497 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.687 14.386 -8.527 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.368 15.168 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.774 15.096 -5.202 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.958 13.595 -5.702 1.00 0.00 H new ATOM 1284 N SER A 85 -8.022 15.129 -8.019 1.00 0.00 N ATOM 1285 CA SER A 85 -9.036 15.472 -9.009 1.00 0.00 C ATOM 1286 C SER A 85 -8.791 14.728 -10.318 1.00 0.00 C ATOM 1287 O SER A 85 -9.718 14.188 -10.921 1.00 0.00 O ATOM 1288 CB SER A 85 -9.044 16.981 -9.261 1.00 0.00 C ATOM 1289 OG SER A 85 -9.842 17.306 -10.386 1.00 0.00 O ATOM 0 H SER A 85 -7.764 15.895 -7.397 1.00 0.00 H new ATOM 0 HA SER A 85 -10.007 15.171 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.424 17.498 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.024 17.332 -9.421 1.00 0.00 H new ATOM 0 HG SER A 85 -9.832 18.276 -10.525 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.534 14.704 -10.751 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.166 14.027 -11.989 1.00 0.00 C ATOM 1297 C ARG A 86 -7.281 12.514 -11.836 1.00 0.00 C ATOM 1298 O ARG A 86 -8.064 11.867 -12.531 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.739 14.403 -12.395 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.381 13.990 -13.813 1.00 0.00 C ATOM 1301 CD ARG A 86 -4.271 14.860 -14.382 1.00 0.00 C ATOM 1302 NE ARG A 86 -4.763 16.167 -14.809 1.00 0.00 N ATOM 1303 CZ ARG A 86 -3.970 17.173 -15.158 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -2.653 17.023 -15.131 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -4.493 18.332 -15.536 1.00 0.00 N ATOM 0 H ARG A 86 -6.754 15.145 -10.263 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.856 14.349 -12.769 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.615 15.481 -12.297 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.038 13.937 -11.702 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.067 12.946 -13.821 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.264 14.062 -14.448 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.494 14.994 -13.630 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.811 14.352 -15.229 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.772 16.315 -14.841 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.247 16.133 -14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.046 17.797 -15.400 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.506 18.451 -15.559 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.882 19.104 -15.804 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.494 11.954 -10.922 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.523 10.521 -10.695 1.00 0.00 C ATOM 1321 C GLY A 87 -5.449 10.065 -9.727 1.00 0.00 C ATOM 1322 O GLY A 87 -4.923 10.865 -8.953 1.00 0.00 O ATOM 0 H GLY A 87 -5.837 12.467 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.501 10.238 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.395 10.003 -11.645 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.125 8.778 -9.769 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.108 8.218 -8.888 1.00 0.00 C ATOM 1328 C ILE A 88 -2.724 8.760 -9.231 1.00 0.00 C ATOM 1329 O ILE A 88 -2.367 8.882 -10.402 1.00 0.00 O ATOM 1330 CB ILE A 88 -4.079 6.680 -8.968 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.460 6.105 -8.650 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -3.034 6.120 -8.014 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.628 4.663 -9.077 1.00 0.00 C ATOM 0 H ILE A 88 -5.552 8.103 -10.404 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.371 8.516 -7.873 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.810 6.389 -9.983 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.638 6.181 -7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.220 6.712 -9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.025 5.032 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.051 6.508 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.276 6.418 -6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.631 4.322 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.482 4.583 -10.154 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.892 4.044 -8.565 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.948 9.082 -8.201 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.612 9.606 -8.414 1.00 0.00 C ATOM 1347 C GLY A 89 0.457 8.539 -8.280 1.00 0.00 C ATOM 1348 O GLY A 89 0.316 7.439 -8.813 1.00 0.00 O ATOM 0 H GLY A 89 -2.221 8.989 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.554 10.052 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.418 10.402 -7.695 1.00 0.00 H new ATOM 1352 N ASN A 90 1.530 8.865 -7.567 1.00 0.00 N ATOM 1353 CA ASN A 90 2.628 7.927 -7.366 1.00 0.00 C ATOM 1354 C ASN A 90 2.278 6.900 -6.294 1.00 0.00 C ATOM 1355 O ASN A 90 1.421 7.143 -5.444 1.00 0.00 O ATOM 1356 CB ASN A 90 3.902 8.677 -6.972 1.00 0.00 C ATOM 1357 CG ASN A 90 4.318 9.698 -8.014 1.00 0.00 C ATOM 1358 OD1 ASN A 90 4.579 9.353 -9.167 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.382 10.962 -7.612 1.00 0.00 N ATOM 0 H ASN A 90 1.662 9.772 -7.119 1.00 0.00 H new ATOM 0 HA ASN A 90 2.799 7.401 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.744 9.180 -6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.711 7.961 -6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.656 11.693 -8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.157 11.202 -6.647 1.00 0.00 H new ATOM 1366 N TRP A 91 2.946 5.753 -6.340 1.00 0.00 N ATOM 1367 CA TRP A 91 2.705 4.689 -5.373 1.00 0.00 C ATOM 1368 C TRP A 91 3.728 4.738 -4.243 1.00 0.00 C ATOM 1369 O TRP A 91 4.924 4.907 -4.483 1.00 0.00 O ATOM 1370 CB TRP A 91 2.754 3.324 -6.062 1.00 0.00 C ATOM 1371 CG TRP A 91 1.584 3.072 -6.964 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.547 3.226 -8.321 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.281 2.624 -6.574 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.300 2.901 -8.797 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.494 2.528 -7.746 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.305 2.293 -5.349 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.824 2.115 -7.726 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.624 1.884 -5.331 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.372 1.797 -6.513 1.00 0.00 C ATOM 0 H TRP A 91 3.659 5.536 -7.037 1.00 0.00 H new ATOM 0 HA TRP A 91 1.713 4.838 -4.947 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.674 3.251 -6.643 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.793 2.543 -5.303 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.376 3.555 -8.930 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.012 2.932 -9.775 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.263 2.356 -4.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.402 2.048 -8.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.087 1.627 -4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.401 1.473 -6.466 1.00 0.00 H new ATOM 1390 N SER A 92 3.252 4.590 -3.011 1.00 0.00 N ATOM 1391 CA SER A 92 4.125 4.622 -1.845 1.00 0.00 C ATOM 1392 C SER A 92 5.035 3.397 -1.814 1.00 0.00 C ATOM 1393 O SER A 92 4.608 2.285 -2.123 1.00 0.00 O ATOM 1394 CB SER A 92 3.295 4.687 -0.561 1.00 0.00 C ATOM 1395 OG SER A 92 2.473 3.541 -0.426 1.00 0.00 O ATOM 0 H SER A 92 2.265 4.447 -2.795 1.00 0.00 H new ATOM 0 HA SER A 92 4.747 5.514 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.958 4.766 0.301 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.675 5.584 -0.570 1.00 0.00 H new ATOM 0 HG SER A 92 1.942 3.614 0.395 1.00 0.00 H new ATOM 1401 N ASP A 93 6.291 3.611 -1.438 1.00 0.00 N ATOM 1402 CA ASP A 93 7.262 2.526 -1.365 1.00 0.00 C ATOM 1403 C ASP A 93 6.605 1.240 -0.872 1.00 0.00 C ATOM 1404 O ASP A 93 6.431 1.042 0.330 1.00 0.00 O ATOM 1405 CB ASP A 93 8.419 2.909 -0.441 1.00 0.00 C ATOM 1406 CG ASP A 93 9.533 3.629 -1.175 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.436 4.864 -1.335 1.00 0.00 O ATOM 1408 OD2 ASP A 93 10.501 2.958 -1.590 1.00 0.00 O ATOM 0 H ASP A 93 6.660 4.526 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 93 7.651 2.352 -2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.045 3.546 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.819 2.010 0.028 1.00 0.00 H new ATOM 1413 N SER A 94 6.241 0.371 -1.809 1.00 0.00 N ATOM 1414 CA SER A 94 5.598 -0.893 -1.470 1.00 0.00 C ATOM 1415 C SER A 94 6.199 -1.485 -0.199 1.00 0.00 C ATOM 1416 O SER A 94 7.393 -1.340 0.064 1.00 0.00 O ATOM 1417 CB SER A 94 5.739 -1.887 -2.625 1.00 0.00 C ATOM 1418 OG SER A 94 7.078 -1.946 -3.086 1.00 0.00 O ATOM 0 H SER A 94 6.380 0.519 -2.809 1.00 0.00 H new ATOM 0 HA SER A 94 4.540 -0.698 -1.294 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.420 -2.877 -2.298 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.082 -1.594 -3.444 1.00 0.00 H new ATOM 0 HG SER A 94 7.142 -2.589 -3.823 1.00 0.00 H new ATOM 1424 N LYS A 95 5.361 -2.152 0.589 1.00 0.00 N ATOM 1425 CA LYS A 95 5.807 -2.767 1.833 1.00 0.00 C ATOM 1426 C LYS A 95 5.532 -4.268 1.827 1.00 0.00 C ATOM 1427 O LYS A 95 4.677 -4.748 1.084 1.00 0.00 O ATOM 1428 CB LYS A 95 5.109 -2.114 3.028 1.00 0.00 C ATOM 1429 CG LYS A 95 5.546 -0.682 3.279 1.00 0.00 C ATOM 1430 CD LYS A 95 6.900 -0.625 3.967 1.00 0.00 C ATOM 1431 CE LYS A 95 7.539 0.748 3.826 1.00 0.00 C ATOM 1432 NZ LYS A 95 8.668 0.935 4.780 1.00 0.00 N ATOM 0 H LYS A 95 4.369 -2.280 0.387 1.00 0.00 H new ATOM 0 HA LYS A 95 6.883 -2.613 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.032 -2.133 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.305 -2.707 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.595 -0.144 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.802 -0.176 3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.783 -0.866 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.559 -1.380 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.900 0.877 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.787 1.518 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.077 1.883 4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.319 0.837 5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.398 0.216 4.600 1.00 0.00 H new ATOM 1446 N SER A 96 6.260 -5.002 2.662 1.00 0.00 N ATOM 1447 CA SER A 96 6.095 -6.448 2.751 1.00 0.00 C ATOM 1448 C SER A 96 5.907 -6.885 4.201 1.00 0.00 C ATOM 1449 O SER A 96 6.497 -6.310 5.115 1.00 0.00 O ATOM 1450 CB SER A 96 7.307 -7.159 2.146 1.00 0.00 C ATOM 1451 OG SER A 96 8.484 -6.385 2.303 1.00 0.00 O ATOM 0 H SER A 96 6.970 -4.619 3.287 1.00 0.00 H new ATOM 0 HA SER A 96 5.203 -6.722 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.440 -8.129 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.131 -7.348 1.087 1.00 0.00 H new ATOM 0 HG SER A 96 9.244 -6.862 1.910 1.00 0.00 H new ATOM 1457 N ILE A 97 5.079 -7.905 4.401 1.00 0.00 N ATOM 1458 CA ILE A 97 4.813 -8.420 5.739 1.00 0.00 C ATOM 1459 C ILE A 97 4.355 -9.874 5.687 1.00 0.00 C ATOM 1460 O ILE A 97 3.537 -10.249 4.846 1.00 0.00 O ATOM 1461 CB ILE A 97 3.743 -7.582 6.462 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.568 -8.071 7.902 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.422 -7.646 5.711 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.493 -7.329 8.665 1.00 0.00 C ATOM 0 H ILE A 97 4.581 -8.391 3.655 1.00 0.00 H new ATOM 0 HA ILE A 97 5.749 -8.356 6.294 1.00 0.00 H new ATOM 0 HB ILE A 97 4.073 -6.543 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.326 -9.134 7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.516 -7.966 8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.676 -7.048 6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.557 -7.255 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.084 -8.681 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.424 -7.728 9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.744 -6.269 8.709 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.535 -7.455 8.160 1.00 0.00 H new ATOM 1476 N THR A 98 4.886 -10.689 6.593 1.00 0.00 N ATOM 1477 CA THR A 98 4.531 -12.101 6.651 1.00 0.00 C ATOM 1478 C THR A 98 3.392 -12.342 7.635 1.00 0.00 C ATOM 1479 O THR A 98 3.591 -12.318 8.850 1.00 0.00 O ATOM 1480 CB THR A 98 5.738 -12.967 7.059 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.800 -12.804 6.113 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.348 -14.435 7.142 1.00 0.00 C ATOM 0 H THR A 98 5.563 -10.395 7.297 1.00 0.00 H new ATOM 0 HA THR A 98 4.209 -12.387 5.650 1.00 0.00 H new ATOM 0 HB THR A 98 6.075 -12.641 8.043 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.564 -13.356 6.380 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.217 -15.026 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.560 -14.561 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.988 -14.771 6.170 1.00 0.00 H new ATOM 1490 N THR A 99 2.196 -12.574 7.103 1.00 0.00 N ATOM 1491 CA THR A 99 1.024 -12.819 7.935 1.00 0.00 C ATOM 1492 C THR A 99 1.305 -13.894 8.978 1.00 0.00 C ATOM 1493 O THR A 99 2.142 -14.772 8.768 1.00 0.00 O ATOM 1494 CB THR A 99 -0.187 -13.248 7.086 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.251 -14.020 5.962 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.966 -12.035 6.602 1.00 0.00 C ATOM 0 H THR A 99 2.013 -12.597 6.100 1.00 0.00 H new ATOM 0 HA THR A 99 0.792 -11.880 8.438 1.00 0.00 H new ATOM 0 HB THR A 99 -0.843 -13.855 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.496 -14.555 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.816 -12.363 6.005 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.324 -11.466 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.317 -11.405 5.994 1.00 0.00 H new ATOM 1504 N ILE A 100 0.601 -13.819 10.103 1.00 0.00 N ATOM 1505 CA ILE A 100 0.775 -14.788 11.178 1.00 0.00 C ATOM 1506 C ILE A 100 -0.443 -15.697 11.300 1.00 0.00 C ATOM 1507 O ILE A 100 -1.573 -15.279 11.047 1.00 0.00 O ATOM 1508 CB ILE A 100 1.018 -14.090 12.529 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.208 -13.268 12.932 1.00 0.00 C ATOM 1510 CG2 ILE A 100 2.254 -13.207 12.455 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.164 -12.777 14.362 1.00 0.00 C ATOM 0 H ILE A 100 -0.095 -13.098 10.293 1.00 0.00 H new ATOM 0 HA ILE A 100 1.649 -15.388 10.925 1.00 0.00 H new ATOM 0 HB ILE A 100 1.186 -14.853 13.289 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.296 -12.411 12.265 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.103 -13.874 12.792 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.412 -12.721 13.418 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.123 -13.817 12.210 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.114 -12.449 11.684 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.065 -12.202 14.577 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.108 -13.630 15.038 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.712 -12.144 14.503 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.206 -16.945 11.692 1.00 0.00 N ATOM 1524 CA LYS A 101 -1.282 -17.915 11.851 1.00 0.00 C ATOM 1525 C LYS A 101 -1.553 -18.190 13.327 1.00 0.00 C ATOM 1526 O LYS A 101 -1.043 -19.156 13.892 1.00 0.00 O ATOM 1527 CB LYS A 101 -0.931 -19.221 11.135 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.138 -20.089 10.825 1.00 0.00 C ATOM 1529 CD LYS A 101 -2.451 -21.037 11.971 1.00 0.00 C ATOM 1530 CE LYS A 101 -3.424 -22.125 11.544 1.00 0.00 C ATOM 1531 NZ LYS A 101 -3.585 -23.169 12.594 1.00 0.00 N ATOM 0 H LYS A 101 0.723 -17.308 11.905 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.184 -17.495 11.405 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.414 -18.987 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.235 -19.788 11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.003 -19.455 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.951 -20.663 9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.528 -21.493 12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.874 -20.475 12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.394 -21.679 11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.070 -22.588 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.256 -23.892 12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.664 -23.613 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.947 -22.732 13.465 1.00 0.00 H new