USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 952 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 133 GLN : amide:sc= 0.824 K(o=1.8,f=-0.45!) USER MOD Set 1.2: A 137 THR OG1 : rot 130:sc= 0.967 USER MOD Set 2.1: A 46 HIS : +bothHN:sc= -2.38 K(o=-10,f=-22!) USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.54 X(o=-10,f=-9.6) USER MOD Set 2.3: A 63 HIS : no HD1:sc= -3.14 K(o=-10,f=-12) USER MOD Set 2.4: A 71 HIS : no HE2:sc= -1.4 K(o=-10,f=-14!) USER MOD Set 2.5: A 80 HIS : no HE2:sc= -2.61 K(o=-10,f=-11) USER MOD Set 2.6: A 120 HIS : no HE2:sc= 0.0226 K(o=-10,f=-15!) USER MOD Set 3.1: A 30 LYS NZ :NH3+ -124:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 98 SER OG : rot 180:sc= 0.759 USER MOD Set 4.1: A 39 THR OG1 : rot 46:sc= 1.2 USER MOD Set 4.2: A 43 HIS : no HE2:sc= -0.76 K(o=0.44,f=-13!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 19 ASN :FLIP amide:sc= 1.09 F(o=-0.016,f=1.1) USER MOD Single : A 34 SER OG : rot 180:sc= -0.269 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.451 K(o=0.45,f=-2.7!) USER MOD Single : A 68 SER OG : rot -57:sc= 0.393 USER MOD Single : A 70 LYS NZ :NH3+ -122:sc= 0.546 (180deg=-1.53!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.809 X(o=-0.81,f=-1.1) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0518 USER MOD Single : A 105 SER OG : rot 36:sc= 1.06 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00691) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN :FLIP amide:sc= 0.0132 F(o=-3.1!,f=0.013) USER MOD Single : A 134 SER OG : rot 20:sc= 0.0053 USER MOD Single : A 135 THR OG1 : rot 87:sc= 0.666 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.72) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= -0.0779 USER MOD Single : A 153 GLN : amide:sc= -0.037 K(o=-0.037,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 12.508 7.001 10.898 1.00 0.00 N ATOM 28 CA LYS A 3 11.725 5.856 11.331 1.00 0.00 C ATOM 29 C LYS A 3 10.252 6.260 11.367 1.00 0.00 C ATOM 30 O LYS A 3 9.811 6.927 12.303 1.00 0.00 O ATOM 31 CB LYS A 3 12.240 5.373 12.698 1.00 0.00 C ATOM 32 CG LYS A 3 13.265 4.247 12.509 1.00 0.00 C ATOM 33 CD LYS A 3 12.541 2.901 12.349 1.00 0.00 C ATOM 34 CE LYS A 3 12.366 2.222 13.716 1.00 0.00 C ATOM 35 NZ LYS A 3 11.416 1.095 13.657 1.00 0.00 N ATOM 0 HA LYS A 3 11.827 5.022 10.637 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.696 6.203 13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.407 5.018 13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.879 4.446 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.938 4.208 13.366 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.567 3.058 11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.110 2.252 11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.333 1.863 14.069 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.014 2.955 14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.328 0.666 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.486 1.441 13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.764 0.383 12.984 1.00 0.00 H new ATOM 49 N ALA A 4 9.500 5.861 10.340 1.00 0.00 N ATOM 50 CA ALA A 4 8.073 6.119 10.245 1.00 0.00 C ATOM 51 C ALA A 4 7.309 4.801 10.238 1.00 0.00 C ATOM 52 O ALA A 4 7.885 3.739 9.997 1.00 0.00 O ATOM 53 CB ALA A 4 7.808 6.981 9.015 1.00 0.00 C ATOM 0 H ALA A 4 9.875 5.344 9.545 1.00 0.00 H new ATOM 0 HA ALA A 4 7.716 6.674 11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.740 7.181 8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.347 7.924 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.147 6.456 8.122 1.00 0.00 H new ATOM 59 N VAL A 5 6.017 4.873 10.552 1.00 0.00 N ATOM 60 CA VAL A 5 5.152 3.735 10.795 1.00 0.00 C ATOM 61 C VAL A 5 3.756 4.096 10.291 1.00 0.00 C ATOM 62 O VAL A 5 3.394 5.276 10.319 1.00 0.00 O ATOM 63 CB VAL A 5 5.187 3.396 12.303 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.597 4.519 13.168 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.489 2.077 12.659 1.00 0.00 C ATOM 0 H VAL A 5 5.531 5.765 10.646 1.00 0.00 H new ATOM 0 HA VAL A 5 5.480 2.842 10.263 1.00 0.00 H new ATOM 0 HB VAL A 5 6.248 3.284 12.525 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.645 4.232 14.219 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.169 5.434 13.015 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.558 4.689 12.885 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.556 1.909 13.734 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.441 2.129 12.364 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.974 1.255 12.132 1.00 0.00 H new ATOM 75 N ALA A 6 2.973 3.114 9.830 1.00 0.00 N ATOM 76 CA ALA A 6 1.548 3.325 9.598 1.00 0.00 C ATOM 77 C ALA A 6 0.765 2.145 10.160 1.00 0.00 C ATOM 78 O ALA A 6 0.860 1.036 9.641 1.00 0.00 O ATOM 79 CB ALA A 6 1.264 3.565 8.113 1.00 0.00 C ATOM 0 H ALA A 6 3.303 2.174 9.613 1.00 0.00 H new ATOM 0 HA ALA A 6 1.221 4.224 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.195 3.719 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.807 4.448 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.587 2.699 7.536 1.00 0.00 H new ATOM 85 N VAL A 7 0.025 2.364 11.248 1.00 0.00 N ATOM 86 CA VAL A 7 -0.758 1.331 11.888 1.00 0.00 C ATOM 87 C VAL A 7 -2.116 1.212 11.187 1.00 0.00 C ATOM 88 O VAL A 7 -3.057 1.949 11.470 1.00 0.00 O ATOM 89 CB VAL A 7 -0.813 1.573 13.406 1.00 0.00 C ATOM 90 CG1 VAL A 7 0.606 1.739 13.973 1.00 0.00 C ATOM 91 CG2 VAL A 7 -1.666 2.765 13.868 1.00 0.00 C ATOM 0 H VAL A 7 -0.042 3.273 11.705 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.290 0.352 11.781 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.308 0.683 13.795 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.551 1.910 15.048 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.184 0.835 13.778 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.091 2.590 13.495 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.631 2.838 14.955 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.276 3.683 13.430 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.698 2.620 13.548 1.00 0.00 H new ATOM 101 N LEU A 8 -2.213 0.290 10.234 1.00 0.00 N ATOM 102 CA LEU A 8 -3.459 -0.088 9.604 1.00 0.00 C ATOM 103 C LEU A 8 -4.391 -0.698 10.651 1.00 0.00 C ATOM 104 O LEU A 8 -3.937 -1.524 11.444 1.00 0.00 O ATOM 105 CB LEU A 8 -3.170 -1.059 8.444 1.00 0.00 C ATOM 106 CG LEU A 8 -2.905 -0.305 7.131 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.578 0.456 7.191 1.00 0.00 C ATOM 108 CD2 LEU A 8 -2.865 -1.298 5.969 1.00 0.00 C ATOM 0 H LEU A 8 -1.407 -0.222 9.876 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.959 0.786 9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.306 -1.676 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.016 -1.733 8.313 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.711 0.414 6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.416 0.980 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.609 1.178 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.763 -0.247 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.677 -0.762 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.069 -2.023 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.821 -1.818 5.902 1.00 0.00 H new ATOM 120 N LYS A 9 -5.674 -0.317 10.642 1.00 0.00 N ATOM 121 CA LYS A 9 -6.759 -0.974 11.363 1.00 0.00 C ATOM 122 C LYS A 9 -8.081 -0.699 10.647 1.00 0.00 C ATOM 123 O LYS A 9 -8.172 0.254 9.881 1.00 0.00 O ATOM 124 CB LYS A 9 -6.806 -0.528 12.835 1.00 0.00 C ATOM 125 CG LYS A 9 -6.465 -1.734 13.709 1.00 0.00 C ATOM 126 CD LYS A 9 -6.422 -1.400 15.203 1.00 0.00 C ATOM 127 CE LYS A 9 -5.845 -2.621 15.936 1.00 0.00 C ATOM 128 NZ LYS A 9 -5.799 -2.446 17.400 1.00 0.00 N ATOM 0 H LYS A 9 -5.993 0.492 10.108 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.582 -2.049 11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.097 0.281 13.010 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.795 -0.145 13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.203 -2.518 13.539 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.498 -2.134 13.404 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.804 -0.520 15.381 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.421 -1.168 15.572 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.447 -3.498 15.699 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.838 -2.817 15.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.401 -3.301 17.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.202 -1.627 17.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.761 -2.287 17.761 1.00 0.00 H new ATOM 142 N GLY A 10 -9.093 -1.540 10.856 1.00 0.00 N ATOM 143 CA GLY A 10 -10.403 -1.375 10.244 1.00 0.00 C ATOM 144 C GLY A 10 -11.483 -1.827 11.216 1.00 0.00 C ATOM 145 O GLY A 10 -11.229 -1.926 12.415 1.00 0.00 O ATOM 0 H GLY A 10 -9.023 -2.359 11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.559 -0.331 9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.461 -1.957 9.324 1.00 0.00 H new ATOM 149 N ASP A 11 -12.679 -2.112 10.697 1.00 0.00 N ATOM 150 CA ASP A 11 -13.818 -2.536 11.499 1.00 0.00 C ATOM 151 C ASP A 11 -13.523 -3.847 12.227 1.00 0.00 C ATOM 152 O ASP A 11 -13.942 -4.037 13.367 1.00 0.00 O ATOM 153 CB ASP A 11 -15.047 -2.691 10.595 1.00 0.00 C ATOM 154 CG ASP A 11 -15.307 -1.419 9.807 1.00 0.00 C ATOM 155 OD1 ASP A 11 -14.609 -1.266 8.782 1.00 0.00 O ATOM 156 OD2 ASP A 11 -16.145 -0.616 10.266 1.00 0.00 O ATOM 0 H ASP A 11 -12.881 -2.053 9.699 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.016 -1.776 12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.895 -3.524 9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.920 -2.933 11.201 1.00 0.00 H new ATOM 161 N GLY A 12 -12.825 -4.768 11.553 1.00 0.00 N ATOM 162 CA GLY A 12 -12.468 -6.058 12.091 1.00 0.00 C ATOM 163 C GLY A 12 -11.047 -6.018 12.643 1.00 0.00 C ATOM 164 O GLY A 12 -10.424 -4.961 12.731 1.00 0.00 O ATOM 0 H GLY A 12 -12.492 -4.621 10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.166 -6.338 12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.544 -6.819 11.314 1.00 0.00 H new ATOM 168 N PRO A 13 -10.509 -7.189 12.998 1.00 0.00 N ATOM 169 CA PRO A 13 -9.232 -7.305 13.669 1.00 0.00 C ATOM 170 C PRO A 13 -8.057 -7.170 12.699 1.00 0.00 C ATOM 171 O PRO A 13 -6.916 -7.125 13.152 1.00 0.00 O ATOM 172 CB PRO A 13 -9.268 -8.678 14.342 1.00 0.00 C ATOM 173 CG PRO A 13 -10.153 -9.501 13.404 1.00 0.00 C ATOM 174 CD PRO A 13 -11.145 -8.480 12.839 1.00 0.00 C ATOM 0 HA PRO A 13 -9.081 -6.503 14.392 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.271 -9.108 14.435 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.687 -8.624 15.347 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.568 -9.969 12.612 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.665 -10.301 13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.362 -8.683 11.790 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -12.094 -8.518 13.374 1.00 0.00 H new ATOM 182 N VAL A 14 -8.328 -7.096 11.387 1.00 0.00 N ATOM 183 CA VAL A 14 -7.350 -6.717 10.383 1.00 0.00 C ATOM 184 C VAL A 14 -6.571 -5.498 10.873 1.00 0.00 C ATOM 185 O VAL A 14 -7.118 -4.400 10.961 1.00 0.00 O ATOM 186 CB VAL A 14 -8.023 -6.484 9.014 1.00 0.00 C ATOM 187 CG1 VAL A 14 -9.158 -5.447 9.025 1.00 0.00 C ATOM 188 CG2 VAL A 14 -6.945 -6.207 7.957 1.00 0.00 C ATOM 0 H VAL A 14 -9.248 -7.303 10.999 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.640 -7.531 10.235 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.545 -7.402 8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.571 -5.349 8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.941 -5.772 9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.767 -4.483 9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.418 -6.042 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.378 -5.320 8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.272 -7.062 7.891 1.00 0.00 H new ATOM 198 N GLN A 15 -5.294 -5.694 11.206 1.00 0.00 N ATOM 199 CA GLN A 15 -4.426 -4.596 11.606 1.00 0.00 C ATOM 200 C GLN A 15 -3.076 -4.777 10.937 1.00 0.00 C ATOM 201 O GLN A 15 -2.719 -5.908 10.640 1.00 0.00 O ATOM 202 CB GLN A 15 -4.326 -4.538 13.135 1.00 0.00 C ATOM 203 CG GLN A 15 -3.566 -5.733 13.716 1.00 0.00 C ATOM 204 CD GLN A 15 -4.103 -6.137 15.085 1.00 0.00 C ATOM 205 OE1 GLN A 15 -4.188 -5.316 15.997 1.00 0.00 O ATOM 206 NE2 GLN A 15 -4.464 -7.406 15.244 1.00 0.00 N ATOM 0 H GLN A 15 -4.841 -6.608 11.205 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.837 -3.639 11.284 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.826 -3.615 13.429 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.329 -4.507 13.561 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.642 -6.579 13.032 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.508 -5.485 13.800 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.381 -8.061 14.467 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.824 -7.725 16.143 1.00 0.00 H new ATOM 215 N GLY A 16 -2.326 -3.712 10.669 1.00 0.00 N ATOM 216 CA GLY A 16 -1.055 -3.854 9.965 1.00 0.00 C ATOM 217 C GLY A 16 -0.050 -2.777 10.331 1.00 0.00 C ATOM 218 O GLY A 16 -0.252 -1.610 10.028 1.00 0.00 O ATOM 0 H GLY A 16 -2.571 -2.755 10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.629 -4.832 10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.236 -3.824 8.891 1.00 0.00 H new ATOM 222 N ILE A 17 1.051 -3.164 10.969 1.00 0.00 N ATOM 223 CA ILE A 17 2.092 -2.242 11.375 1.00 0.00 C ATOM 224 C ILE A 17 3.022 -2.073 10.174 1.00 0.00 C ATOM 225 O ILE A 17 3.941 -2.867 9.986 1.00 0.00 O ATOM 226 CB ILE A 17 2.787 -2.799 12.633 1.00 0.00 C ATOM 227 CG1 ILE A 17 1.782 -2.892 13.802 1.00 0.00 C ATOM 228 CG2 ILE A 17 3.968 -1.911 13.052 1.00 0.00 C ATOM 229 CD1 ILE A 17 2.164 -3.991 14.797 1.00 0.00 C ATOM 0 H ILE A 17 1.241 -4.135 11.218 1.00 0.00 H new ATOM 0 HA ILE A 17 1.714 -1.258 11.652 1.00 0.00 H new ATOM 0 HB ILE A 17 3.163 -3.793 12.392 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.737 -1.934 14.319 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.785 -3.089 13.409 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.439 -2.328 13.942 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.696 -1.868 12.242 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.608 -0.905 13.270 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.431 -4.023 15.603 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.183 -4.954 14.286 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.150 -3.780 15.211 1.00 0.00 H new ATOM 241 N ILE A 18 2.763 -1.069 9.334 1.00 0.00 N ATOM 242 CA ILE A 18 3.691 -0.693 8.275 1.00 0.00 C ATOM 243 C ILE A 18 4.855 0.041 8.917 1.00 0.00 C ATOM 244 O ILE A 18 4.640 0.776 9.876 1.00 0.00 O ATOM 245 CB ILE A 18 2.990 0.213 7.252 1.00 0.00 C ATOM 246 CG1 ILE A 18 1.943 -0.576 6.455 1.00 0.00 C ATOM 247 CG2 ILE A 18 3.980 0.919 6.313 1.00 0.00 C ATOM 248 CD1 ILE A 18 2.614 -1.358 5.329 1.00 0.00 C ATOM 0 H ILE A 18 1.915 -0.503 9.370 1.00 0.00 H new ATOM 0 HA ILE A 18 4.046 -1.579 7.749 1.00 0.00 H new ATOM 0 HB ILE A 18 2.482 0.995 7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.412 -1.261 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.201 0.107 6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.431 1.546 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.659 1.539 6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.554 0.174 5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.859 -1.913 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.124 -0.666 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.339 -2.054 5.751 1.00 0.00 H new ATOM 260 N ASN A 19 6.056 -0.115 8.360 1.00 0.00 N ATOM 261 CA ASN A 19 7.254 0.620 8.712 1.00 0.00 C ATOM 262 C ASN A 19 7.839 1.213 7.433 1.00 0.00 C ATOM 263 O ASN A 19 7.810 0.579 6.377 1.00 0.00 O ATOM 264 CB ASN A 19 8.294 -0.305 9.340 1.00 0.00 C ATOM 265 CG ASN A 19 7.752 -1.179 10.468 1.00 0.00 C ATOM 266 OD1 ASN A 19 7.277 -0.569 11.550 1.00 0.00 O flip ATOM 267 ND2 ASN A 19 7.777 -2.402 10.389 1.00 0.00 N flip ATOM 0 H ASN A 19 6.220 -0.793 7.615 1.00 0.00 H new ATOM 0 HA ASN A 19 6.999 1.398 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.708 -0.948 8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.116 0.299 9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.145 -2.851 9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.430 -2.970 11.162 1.00 0.00 H new ATOM 274 N PHE A 20 8.391 2.415 7.553 1.00 0.00 N ATOM 275 CA PHE A 20 9.125 3.100 6.507 1.00 0.00 C ATOM 276 C PHE A 20 10.465 3.540 7.082 1.00 0.00 C ATOM 277 O PHE A 20 10.486 4.160 8.149 1.00 0.00 O ATOM 278 CB PHE A 20 8.343 4.339 6.076 1.00 0.00 C ATOM 279 CG PHE A 20 7.149 4.072 5.191 1.00 0.00 C ATOM 280 CD1 PHE A 20 7.321 4.045 3.799 1.00 0.00 C ATOM 281 CD2 PHE A 20 5.856 4.018 5.739 1.00 0.00 C ATOM 282 CE1 PHE A 20 6.203 4.028 2.947 1.00 0.00 C ATOM 283 CE2 PHE A 20 4.738 3.959 4.889 1.00 0.00 C ATOM 284 CZ PHE A 20 4.910 3.970 3.493 1.00 0.00 C ATOM 0 H PHE A 20 8.335 2.956 8.416 1.00 0.00 H new ATOM 0 HA PHE A 20 9.270 2.442 5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.003 4.863 6.969 1.00 0.00 H new ATOM 0 HB3 PHE A 20 9.021 5.012 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.316 4.037 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.722 4.022 6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.338 4.059 1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.744 3.905 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.049 3.934 2.842 1.00 0.00 H new ATOM 294 N GLU A 21 11.553 3.255 6.360 1.00 0.00 N ATOM 295 CA GLU A 21 12.856 3.856 6.619 1.00 0.00 C ATOM 296 C GLU A 21 13.598 4.099 5.299 1.00 0.00 C ATOM 297 O GLU A 21 13.456 3.321 4.357 1.00 0.00 O ATOM 298 CB GLU A 21 13.660 2.978 7.591 1.00 0.00 C ATOM 299 CG GLU A 21 14.663 3.814 8.403 1.00 0.00 C ATOM 300 CD GLU A 21 15.450 2.978 9.404 1.00 0.00 C ATOM 301 OE1 GLU A 21 14.829 2.080 10.014 1.00 0.00 O ATOM 302 OE2 GLU A 21 16.650 3.286 9.571 1.00 0.00 O ATOM 0 H GLU A 21 11.550 2.599 5.579 1.00 0.00 H new ATOM 0 HA GLU A 21 12.723 4.827 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.978 2.465 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.193 2.208 7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.357 4.305 7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.128 4.601 8.934 1.00 0.00 H new ATOM 395 N PRO A 28 16.661 5.667 -1.777 1.00 0.00 N ATOM 396 CA PRO A 28 15.330 5.103 -1.925 1.00 0.00 C ATOM 397 C PRO A 28 14.724 4.818 -0.550 1.00 0.00 C ATOM 398 O PRO A 28 15.423 4.399 0.371 1.00 0.00 O ATOM 399 CB PRO A 28 15.530 3.820 -2.733 1.00 0.00 C ATOM 400 CG PRO A 28 16.950 3.385 -2.368 1.00 0.00 C ATOM 401 CD PRO A 28 17.684 4.713 -2.172 1.00 0.00 C ATOM 0 HA PRO A 28 14.639 5.780 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.796 3.059 -2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.428 4.000 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 28 16.965 2.779 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 28 17.404 2.787 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.456 4.626 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.180 5.027 -3.091 1.00 0.00 H new ATOM 409 N VAL A 29 13.416 5.037 -0.401 1.00 0.00 N ATOM 410 CA VAL A 29 12.693 4.677 0.807 1.00 0.00 C ATOM 411 C VAL A 29 12.405 3.190 0.733 1.00 0.00 C ATOM 412 O VAL A 29 11.829 2.758 -0.257 1.00 0.00 O ATOM 413 CB VAL A 29 11.396 5.501 0.894 1.00 0.00 C ATOM 414 CG1 VAL A 29 10.260 4.798 1.652 1.00 0.00 C ATOM 415 CG2 VAL A 29 11.702 6.803 1.626 1.00 0.00 C ATOM 0 H VAL A 29 12.834 5.469 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 29 13.275 4.892 1.703 1.00 0.00 H new ATOM 0 HB VAL A 29 11.057 5.656 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.381 5.442 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.013 3.862 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.578 4.590 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.794 7.402 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.070 6.580 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.461 7.360 1.077 1.00 0.00 H new ATOM 425 N LYS A 30 12.755 2.433 1.776 1.00 0.00 N ATOM 426 CA LYS A 30 12.312 1.065 1.975 1.00 0.00 C ATOM 427 C LYS A 30 11.016 1.130 2.778 1.00 0.00 C ATOM 428 O LYS A 30 10.973 1.733 3.856 1.00 0.00 O ATOM 429 CB LYS A 30 13.390 0.252 2.716 1.00 0.00 C ATOM 430 CG LYS A 30 14.299 -0.523 1.749 1.00 0.00 C ATOM 431 CD LYS A 30 13.653 -1.822 1.230 1.00 0.00 C ATOM 432 CE LYS A 30 13.747 -2.990 2.226 1.00 0.00 C ATOM 433 NZ LYS A 30 13.014 -4.186 1.749 1.00 0.00 N ATOM 0 H LYS A 30 13.369 2.769 2.518 1.00 0.00 H new ATOM 0 HA LYS A 30 12.141 0.564 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.997 0.924 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.909 -0.448 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.549 0.116 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.235 -0.765 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.604 -1.632 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.135 -2.111 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.794 -3.247 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.344 -2.678 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.315 -4.473 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.526 -3.962 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.685 -4.964 1.589 1.00 0.00 H new ATOM 447 N VAL A 31 9.966 0.509 2.244 1.00 0.00 N ATOM 448 CA VAL A 31 8.661 0.409 2.860 1.00 0.00 C ATOM 449 C VAL A 31 8.433 -1.075 3.109 1.00 0.00 C ATOM 450 O VAL A 31 8.696 -1.906 2.241 1.00 0.00 O ATOM 451 CB VAL A 31 7.609 1.047 1.939 1.00 0.00 C ATOM 452 CG1 VAL A 31 7.781 0.642 0.480 1.00 0.00 C ATOM 453 CG2 VAL A 31 6.182 0.693 2.367 1.00 0.00 C ATOM 0 H VAL A 31 10.011 0.047 1.336 1.00 0.00 H new ATOM 0 HA VAL A 31 8.587 0.947 3.805 1.00 0.00 H new ATOM 0 HB VAL A 31 7.767 2.121 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.011 1.122 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.765 0.954 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.691 -0.440 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.471 1.165 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.050 -0.389 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.007 1.050 3.382 1.00 0.00 H new ATOM 463 N TRP A 32 7.986 -1.434 4.305 1.00 0.00 N ATOM 464 CA TRP A 32 7.743 -2.823 4.647 1.00 0.00 C ATOM 465 C TRP A 32 6.615 -2.873 5.668 1.00 0.00 C ATOM 466 O TRP A 32 6.217 -1.834 6.185 1.00 0.00 O ATOM 467 CB TRP A 32 9.059 -3.490 5.094 1.00 0.00 C ATOM 468 CG TRP A 32 9.453 -3.365 6.529 1.00 0.00 C ATOM 469 CD1 TRP A 32 9.052 -4.194 7.518 1.00 0.00 C ATOM 470 CD2 TRP A 32 10.366 -2.412 7.146 1.00 0.00 C ATOM 471 NE1 TRP A 32 9.663 -3.831 8.698 1.00 0.00 N ATOM 472 CE2 TRP A 32 10.498 -2.746 8.526 1.00 0.00 C ATOM 473 CE3 TRP A 32 11.076 -1.282 6.687 1.00 0.00 C ATOM 474 CZ2 TRP A 32 11.299 -2.004 9.407 1.00 0.00 C ATOM 475 CZ3 TRP A 32 11.883 -0.530 7.561 1.00 0.00 C ATOM 476 CH2 TRP A 32 12.001 -0.891 8.916 1.00 0.00 C ATOM 0 H TRP A 32 7.784 -0.775 5.057 1.00 0.00 H new ATOM 0 HA TRP A 32 7.411 -3.406 3.788 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.993 -4.552 4.856 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.866 -3.077 4.488 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.359 -5.014 7.401 1.00 0.00 H new ATOM 0 HE1 TRP A 32 9.516 -4.306 9.589 1.00 0.00 H new ATOM 0 HE3 TRP A 32 10.999 -0.990 5.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.375 -2.284 10.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.417 0.332 7.188 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.630 -0.313 9.577 1.00 0.00 H new ATOM 487 N GLY A 33 6.044 -4.043 5.937 1.00 0.00 N ATOM 488 CA GLY A 33 4.903 -4.113 6.837 1.00 0.00 C ATOM 489 C GLY A 33 4.534 -5.548 7.134 1.00 0.00 C ATOM 490 O GLY A 33 5.215 -6.461 6.665 1.00 0.00 O ATOM 0 H GLY A 33 6.346 -4.938 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.136 -3.594 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.051 -3.600 6.391 1.00 0.00 H new ATOM 494 N SER A 34 3.453 -5.748 7.890 1.00 0.00 N ATOM 495 CA SER A 34 3.020 -7.056 8.330 1.00 0.00 C ATOM 496 C SER A 34 1.557 -6.893 8.709 1.00 0.00 C ATOM 497 O SER A 34 1.263 -6.489 9.835 1.00 0.00 O ATOM 498 CB SER A 34 3.865 -7.525 9.523 1.00 0.00 C ATOM 499 OG SER A 34 5.243 -7.495 9.211 1.00 0.00 O ATOM 0 H SER A 34 2.852 -4.990 8.213 1.00 0.00 H new ATOM 0 HA SER A 34 3.141 -7.813 7.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.670 -6.887 10.385 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.574 -8.537 9.804 1.00 0.00 H new ATOM 0 HG SER A 34 5.761 -7.796 9.987 1.00 0.00 H new ATOM 505 N ILE A 35 0.638 -7.143 7.769 1.00 0.00 N ATOM 506 CA ILE A 35 -0.765 -7.197 8.152 1.00 0.00 C ATOM 507 C ILE A 35 -0.923 -8.356 9.131 1.00 0.00 C ATOM 508 O ILE A 35 -0.114 -9.275 9.133 1.00 0.00 O ATOM 509 CB ILE A 35 -1.711 -7.302 6.936 1.00 0.00 C ATOM 510 CG1 ILE A 35 -2.756 -6.169 6.943 1.00 0.00 C ATOM 511 CG2 ILE A 35 -2.469 -8.631 6.849 1.00 0.00 C ATOM 512 CD1 ILE A 35 -2.263 -4.956 6.156 1.00 0.00 C ATOM 0 H ILE A 35 0.833 -7.304 6.781 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.057 -6.264 8.634 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.052 -7.226 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.690 -6.530 6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.971 -5.876 7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.112 -8.626 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.756 -9.452 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.079 -8.761 7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.022 -4.174 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.342 -4.582 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.072 -5.246 5.123 1.00 0.00 H new ATOM 524 N LYS A 36 -1.972 -8.329 9.934 1.00 0.00 N ATOM 525 CA LYS A 36 -2.421 -9.421 10.757 1.00 0.00 C ATOM 526 C LYS A 36 -3.932 -9.290 10.834 1.00 0.00 C ATOM 527 O LYS A 36 -4.456 -8.496 11.615 1.00 0.00 O ATOM 528 CB LYS A 36 -1.802 -9.356 12.158 1.00 0.00 C ATOM 529 CG LYS A 36 -0.274 -9.500 12.158 1.00 0.00 C ATOM 530 CD LYS A 36 0.233 -9.918 13.543 1.00 0.00 C ATOM 531 CE LYS A 36 0.154 -8.771 14.561 1.00 0.00 C ATOM 532 NZ LYS A 36 0.265 -9.264 15.949 1.00 0.00 N ATOM 0 H LYS A 36 -2.558 -7.500 10.029 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.120 -10.379 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.070 -8.406 12.621 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.234 -10.145 12.774 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.026 -10.241 11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.185 -8.555 11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.355 -10.762 13.903 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.265 -10.259 13.462 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.951 -8.054 14.364 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.790 -8.239 14.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.207 -8.462 16.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.511 -9.929 16.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.176 -9.749 16.073 1.00 0.00 H new ATOM 546 N GLY A 37 -4.619 -10.060 10.000 1.00 0.00 N ATOM 547 CA GLY A 37 -6.043 -10.310 10.155 1.00 0.00 C ATOM 548 C GLY A 37 -6.763 -10.269 8.814 1.00 0.00 C ATOM 549 O GLY A 37 -7.883 -9.772 8.736 1.00 0.00 O ATOM 0 H GLY A 37 -4.202 -10.529 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.194 -11.283 10.621 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.474 -9.565 10.824 1.00 0.00 H new ATOM 553 N LEU A 38 -6.102 -10.742 7.757 1.00 0.00 N ATOM 554 CA LEU A 38 -6.566 -10.611 6.388 1.00 0.00 C ATOM 555 C LEU A 38 -6.952 -12.008 5.894 1.00 0.00 C ATOM 556 O LEU A 38 -7.378 -12.846 6.687 1.00 0.00 O ATOM 557 CB LEU A 38 -5.448 -9.873 5.625 1.00 0.00 C ATOM 558 CG LEU A 38 -5.822 -9.060 4.375 1.00 0.00 C ATOM 559 CD1 LEU A 38 -7.053 -8.171 4.578 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.648 -8.190 3.913 1.00 0.00 C ATOM 0 H LEU A 38 -5.213 -11.235 7.837 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.468 -10.015 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.960 -9.196 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.706 -10.614 5.328 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.067 -9.796 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.263 -7.625 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.911 -8.791 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.862 -7.464 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.940 -7.626 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.372 -7.499 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.796 -8.826 3.673 1.00 0.00 H new ATOM 572 N THR A 39 -6.817 -12.272 4.601 1.00 0.00 N ATOM 573 CA THR A 39 -7.170 -13.526 3.956 1.00 0.00 C ATOM 574 C THR A 39 -6.052 -13.855 2.990 1.00 0.00 C ATOM 575 O THR A 39 -5.554 -12.943 2.327 1.00 0.00 O ATOM 576 CB THR A 39 -8.483 -13.370 3.181 1.00 0.00 C ATOM 577 OG1 THR A 39 -8.573 -12.061 2.644 1.00 0.00 O ATOM 578 CG2 THR A 39 -9.670 -13.639 4.103 1.00 0.00 C ATOM 0 H THR A 39 -6.442 -11.586 3.946 1.00 0.00 H new ATOM 0 HA THR A 39 -7.302 -14.315 4.696 1.00 0.00 H new ATOM 0 HB THR A 39 -8.501 -14.091 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.720 -11.820 2.225 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.598 -13.526 3.543 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.604 -14.654 4.495 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.656 -12.929 4.930 1.00 0.00 H new ATOM 586 N GLU A 40 -5.680 -15.135 2.930 1.00 0.00 N ATOM 587 CA GLU A 40 -4.618 -15.632 2.082 1.00 0.00 C ATOM 588 C GLU A 40 -4.816 -15.199 0.628 1.00 0.00 C ATOM 589 O GLU A 40 -5.951 -15.038 0.176 1.00 0.00 O ATOM 590 CB GLU A 40 -4.552 -17.159 2.193 1.00 0.00 C ATOM 591 CG GLU A 40 -5.914 -17.849 2.001 1.00 0.00 C ATOM 592 CD GLU A 40 -5.747 -19.251 1.429 1.00 0.00 C ATOM 593 OE1 GLU A 40 -5.244 -19.335 0.289 1.00 0.00 O ATOM 594 OE2 GLU A 40 -6.123 -20.208 2.140 1.00 0.00 O ATOM 0 H GLU A 40 -6.125 -15.865 3.487 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.673 -15.206 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.853 -17.539 1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.153 -17.427 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.435 -17.903 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.535 -17.253 1.333 1.00 0.00 H new ATOM 601 N GLY A 41 -3.718 -14.999 -0.104 1.00 0.00 N ATOM 602 CA GLY A 41 -3.785 -14.658 -1.512 1.00 0.00 C ATOM 603 C GLY A 41 -3.155 -13.293 -1.609 1.00 0.00 C ATOM 604 O GLY A 41 -2.054 -13.132 -1.094 1.00 0.00 O ATOM 0 H GLY A 41 -2.770 -15.070 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.248 -15.385 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.816 -14.644 -1.867 1.00 0.00 H new ATOM 608 N LEU A 42 -3.833 -12.306 -2.198 1.00 0.00 N ATOM 609 CA LEU A 42 -3.251 -10.987 -2.369 1.00 0.00 C ATOM 610 C LEU A 42 -4.299 -9.880 -2.267 1.00 0.00 C ATOM 611 O LEU A 42 -5.470 -10.099 -2.568 1.00 0.00 O ATOM 612 CB LEU A 42 -2.390 -10.939 -3.644 1.00 0.00 C ATOM 613 CG LEU A 42 -3.175 -10.774 -4.950 1.00 0.00 C ATOM 614 CD1 LEU A 42 -2.211 -10.842 -6.138 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.241 -11.860 -5.164 1.00 0.00 C ATOM 0 H LEU A 42 -4.781 -12.401 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.572 -10.790 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.683 -10.114 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.804 -11.856 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.678 -9.810 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.769 -10.725 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.474 -10.044 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.703 -11.806 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.758 -11.682 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.763 -12.839 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.960 -11.831 -4.345 1.00 0.00 H new ATOM 627 N HIS A 43 -3.879 -8.721 -1.756 1.00 0.00 N ATOM 628 CA HIS A 43 -4.739 -7.612 -1.366 1.00 0.00 C ATOM 629 C HIS A 43 -4.136 -6.294 -1.854 1.00 0.00 C ATOM 630 O HIS A 43 -2.951 -6.072 -1.620 1.00 0.00 O ATOM 631 CB HIS A 43 -4.810 -7.624 0.165 1.00 0.00 C ATOM 632 CG HIS A 43 -5.792 -8.625 0.721 1.00 0.00 C ATOM 633 ND1 HIS A 43 -7.048 -8.294 1.168 1.00 0.00 N ATOM 634 CD2 HIS A 43 -5.655 -9.985 0.825 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.699 -9.418 1.492 1.00 0.00 C ATOM 636 NE2 HIS A 43 -6.866 -10.451 1.310 1.00 0.00 N ATOM 0 H HIS A 43 -2.890 -8.526 -1.598 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.733 -7.710 -1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.819 -7.841 0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.083 -6.628 0.515 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.423 -7.348 1.241 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.783 -10.572 0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.719 -9.481 1.840 1.00 0.00 H new ATOM 645 N GLY A 44 -4.921 -5.424 -2.509 1.00 0.00 N ATOM 646 CA GLY A 44 -4.440 -4.152 -3.040 1.00 0.00 C ATOM 647 C GLY A 44 -3.982 -3.236 -1.907 1.00 0.00 C ATOM 648 O GLY A 44 -4.520 -3.335 -0.801 1.00 0.00 O ATOM 0 H GLY A 44 -5.912 -5.590 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.614 -4.328 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.232 -3.667 -3.610 1.00 0.00 H new ATOM 652 N PHE A 45 -3.002 -2.360 -2.164 1.00 0.00 N ATOM 653 CA PHE A 45 -2.272 -1.666 -1.101 1.00 0.00 C ATOM 654 C PHE A 45 -1.775 -0.290 -1.563 1.00 0.00 C ATOM 655 O PHE A 45 -0.905 -0.225 -2.431 1.00 0.00 O ATOM 656 CB PHE A 45 -1.090 -2.559 -0.691 1.00 0.00 C ATOM 657 CG PHE A 45 -0.678 -2.382 0.752 1.00 0.00 C ATOM 658 CD1 PHE A 45 -1.343 -3.114 1.750 1.00 0.00 C ATOM 659 CD2 PHE A 45 0.306 -1.445 1.108 1.00 0.00 C ATOM 660 CE1 PHE A 45 -1.115 -2.826 3.103 1.00 0.00 C ATOM 661 CE2 PHE A 45 0.576 -1.203 2.465 1.00 0.00 C ATOM 662 CZ PHE A 45 -0.196 -1.829 3.459 1.00 0.00 C ATOM 0 H PHE A 45 -2.697 -2.116 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.935 -1.490 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.356 -3.602 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.238 -2.339 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.031 -3.900 1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.852 -0.914 0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.646 -3.371 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.377 -0.535 2.745 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.081 -1.543 4.494 1.00 0.00 H new ATOM 672 N HIS A 46 -2.319 0.821 -1.036 1.00 0.00 N ATOM 673 CA HIS A 46 -2.010 2.136 -1.613 1.00 0.00 C ATOM 674 C HIS A 46 -2.084 3.289 -0.629 1.00 0.00 C ATOM 675 O HIS A 46 -2.768 3.213 0.392 1.00 0.00 O ATOM 676 CB HIS A 46 -2.960 2.493 -2.764 1.00 0.00 C ATOM 677 CG HIS A 46 -3.582 1.317 -3.431 1.00 0.00 C ATOM 678 ND1 HIS A 46 -4.812 0.759 -3.097 1.00 0.00 N ATOM 679 CD2 HIS A 46 -3.021 0.559 -4.409 1.00 0.00 C ATOM 680 CE1 HIS A 46 -4.987 -0.313 -3.900 1.00 0.00 C ATOM 681 NE2 HIS A 46 -3.921 -0.409 -4.699 1.00 0.00 N ATOM 0 H HIS A 46 -2.954 0.836 -0.238 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.981 2.022 -1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.750 3.139 -2.381 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.410 3.069 -3.508 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.458 1.095 -2.383 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.052 0.701 -4.864 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.839 -0.976 -3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.802 -1.114 -5.427 1.00 0.00 H new ATOM 689 N VAL A 47 -1.452 4.397 -1.028 1.00 0.00 N ATOM 690 CA VAL A 47 -1.544 5.676 -0.345 1.00 0.00 C ATOM 691 C VAL A 47 -2.724 6.474 -0.922 1.00 0.00 C ATOM 692 O VAL A 47 -2.685 6.924 -2.071 1.00 0.00 O ATOM 693 CB VAL A 47 -0.218 6.447 -0.459 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.200 7.552 0.595 1.00 0.00 C ATOM 695 CG2 VAL A 47 1.015 5.556 -0.245 1.00 0.00 C ATOM 0 H VAL A 47 -0.852 4.423 -1.852 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.726 5.514 0.717 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.165 6.848 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.736 8.107 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.037 8.230 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.286 7.110 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.919 6.158 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.975 5.112 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.027 4.765 -0.995 1.00 0.00 H new ATOM 705 N HIS A 48 -3.786 6.636 -0.133 1.00 0.00 N ATOM 706 CA HIS A 48 -4.923 7.481 -0.456 1.00 0.00 C ATOM 707 C HIS A 48 -4.602 8.931 -0.098 1.00 0.00 C ATOM 708 O HIS A 48 -3.871 9.192 0.862 1.00 0.00 O ATOM 709 CB HIS A 48 -6.172 6.984 0.284 1.00 0.00 C ATOM 710 CG HIS A 48 -6.648 5.650 -0.238 1.00 0.00 C ATOM 711 ND1 HIS A 48 -7.812 5.439 -0.912 1.00 0.00 N ATOM 712 CD2 HIS A 48 -5.910 4.502 -0.238 1.00 0.00 C ATOM 713 CE1 HIS A 48 -7.817 4.172 -1.342 1.00 0.00 C ATOM 714 NE2 HIS A 48 -6.650 3.598 -0.998 1.00 0.00 N ATOM 0 H HIS A 48 -3.876 6.169 0.769 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.127 7.431 -1.526 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.952 6.899 1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.970 7.719 0.181 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.960 4.331 0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.623 3.691 -1.876 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.355 2.655 -1.252 1.00 0.00 H new ATOM 722 N GLU A 49 -5.142 9.872 -0.878 1.00 0.00 N ATOM 723 CA GLU A 49 -4.888 11.300 -0.693 1.00 0.00 C ATOM 724 C GLU A 49 -5.705 11.826 0.496 1.00 0.00 C ATOM 725 O GLU A 49 -6.667 12.563 0.311 1.00 0.00 O ATOM 726 CB GLU A 49 -5.187 12.034 -2.014 1.00 0.00 C ATOM 727 CG GLU A 49 -4.359 13.316 -2.184 1.00 0.00 C ATOM 728 CD GLU A 49 -4.818 14.487 -1.332 1.00 0.00 C ATOM 729 OE1 GLU A 49 -5.811 15.123 -1.744 1.00 0.00 O ATOM 730 OE2 GLU A 49 -4.108 14.752 -0.335 1.00 0.00 O ATOM 0 H GLU A 49 -5.768 9.663 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.842 11.483 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.986 11.364 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.247 12.284 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.319 13.095 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.387 13.614 -3.232 1.00 0.00 H new ATOM 876 N PRO A 62 -9.430 9.058 -3.087 1.00 0.00 N ATOM 877 CA PRO A 62 -8.935 8.065 -4.026 1.00 0.00 C ATOM 878 C PRO A 62 -7.418 7.875 -3.880 1.00 0.00 C ATOM 879 O PRO A 62 -6.775 8.477 -3.016 1.00 0.00 O ATOM 880 CB PRO A 62 -9.343 8.601 -5.405 1.00 0.00 C ATOM 881 CG PRO A 62 -9.325 10.118 -5.213 1.00 0.00 C ATOM 882 CD PRO A 62 -9.781 10.295 -3.765 1.00 0.00 C ATOM 0 HA PRO A 62 -9.352 7.073 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.646 8.286 -6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.330 8.245 -5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.330 10.532 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.996 10.620 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.288 11.149 -3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.854 10.479 -3.712 1.00 0.00 H new ATOM 890 N HIS A 63 -6.854 7.009 -4.731 1.00 0.00 N ATOM 891 CA HIS A 63 -5.415 6.788 -4.825 1.00 0.00 C ATOM 892 C HIS A 63 -4.707 8.114 -5.113 1.00 0.00 C ATOM 893 O HIS A 63 -5.084 8.813 -6.052 1.00 0.00 O ATOM 894 CB HIS A 63 -5.101 5.826 -5.978 1.00 0.00 C ATOM 895 CG HIS A 63 -5.393 4.360 -5.759 1.00 0.00 C ATOM 896 ND1 HIS A 63 -4.796 3.291 -6.435 1.00 0.00 N ATOM 897 CD2 HIS A 63 -6.267 3.816 -4.865 1.00 0.00 C ATOM 898 CE1 HIS A 63 -5.312 2.142 -5.949 1.00 0.00 C ATOM 899 NE2 HIS A 63 -6.203 2.462 -4.999 1.00 0.00 N ATOM 0 H HIS A 63 -7.395 6.437 -5.380 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.071 6.366 -3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.662 6.154 -6.853 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.043 5.926 -6.222 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.896 4.360 -4.176 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.053 1.143 -6.268 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.750 1.792 -4.458 1.00 0.00 H new ATOM 907 N PHE A 64 -3.664 8.441 -4.348 1.00 0.00 N ATOM 908 CA PHE A 64 -2.906 9.668 -4.547 1.00 0.00 C ATOM 909 C PHE A 64 -2.154 9.616 -5.884 1.00 0.00 C ATOM 910 O PHE A 64 -1.203 8.845 -6.011 1.00 0.00 O ATOM 911 CB PHE A 64 -1.948 9.842 -3.356 1.00 0.00 C ATOM 912 CG PHE A 64 -1.131 11.124 -3.300 1.00 0.00 C ATOM 913 CD1 PHE A 64 -1.689 12.354 -3.694 1.00 0.00 C ATOM 914 CD2 PHE A 64 0.154 11.106 -2.722 1.00 0.00 C ATOM 915 CE1 PHE A 64 -0.981 13.553 -3.504 1.00 0.00 C ATOM 916 CE2 PHE A 64 0.877 12.302 -2.563 1.00 0.00 C ATOM 917 CZ PHE A 64 0.308 13.528 -2.947 1.00 0.00 C ATOM 0 H PHE A 64 -3.326 7.863 -3.578 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.573 10.529 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.534 9.775 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.256 9.000 -3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.670 12.377 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.586 10.170 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.429 14.494 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.872 12.278 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.859 14.447 -2.814 1.00 0.00 H new ATOM 927 N ASN A 65 -2.573 10.408 -6.883 1.00 0.00 N ATOM 928 CA ASN A 65 -1.992 10.427 -8.229 1.00 0.00 C ATOM 929 C ASN A 65 -1.561 11.829 -8.698 1.00 0.00 C ATOM 930 O ASN A 65 -1.935 12.257 -9.788 1.00 0.00 O ATOM 931 CB ASN A 65 -2.964 9.770 -9.220 1.00 0.00 C ATOM 932 CG ASN A 65 -4.193 10.602 -9.574 1.00 0.00 C ATOM 933 OD1 ASN A 65 -4.691 11.363 -8.751 1.00 0.00 O ATOM 934 ND2 ASN A 65 -4.694 10.450 -10.800 1.00 0.00 N ATOM 0 H ASN A 65 -3.343 11.067 -6.772 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.069 9.848 -8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.423 9.542 -10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.297 8.820 -8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.521 10.977 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.251 9.807 -11.456 1.00 0.00 H new ATOM 941 N PRO A 66 -0.694 12.526 -7.948 1.00 0.00 N ATOM 942 CA PRO A 66 -0.298 13.899 -8.241 1.00 0.00 C ATOM 943 C PRO A 66 0.483 14.015 -9.555 1.00 0.00 C ATOM 944 O PRO A 66 0.515 15.081 -10.160 1.00 0.00 O ATOM 945 CB PRO A 66 0.549 14.334 -7.041 1.00 0.00 C ATOM 946 CG PRO A 66 1.173 13.022 -6.570 1.00 0.00 C ATOM 947 CD PRO A 66 0.048 12.018 -6.812 1.00 0.00 C ATOM 0 HA PRO A 66 -1.169 14.539 -8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.308 15.063 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.060 14.794 -6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.070 12.772 -7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.462 13.063 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.447 11.025 -7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.592 11.929 -5.934 1.00 0.00 H new ATOM 955 N LEU A 67 1.087 12.919 -10.028 1.00 0.00 N ATOM 956 CA LEU A 67 1.772 12.893 -11.314 1.00 0.00 C ATOM 957 C LEU A 67 0.774 12.925 -12.477 1.00 0.00 C ATOM 958 O LEU A 67 1.191 13.029 -13.628 1.00 0.00 O ATOM 959 CB LEU A 67 2.642 11.635 -11.427 1.00 0.00 C ATOM 960 CG LEU A 67 3.792 11.527 -10.418 1.00 0.00 C ATOM 961 CD1 LEU A 67 4.489 10.178 -10.637 1.00 0.00 C ATOM 962 CD2 LEU A 67 4.814 12.657 -10.580 1.00 0.00 C ATOM 0 H LEU A 67 1.112 12.030 -9.528 1.00 0.00 H new ATOM 0 HA LEU A 67 2.401 13.781 -11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.001 10.761 -11.313 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.061 11.595 -12.433 1.00 0.00 H new ATOM 0 HG LEU A 67 3.380 11.606 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.313 10.075 -9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.774 9.370 -10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.876 10.129 -11.655 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.609 12.537 -9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.240 12.621 -11.583 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.321 13.618 -10.429 1.00 0.00 H new ATOM 974 N SER A 68 -0.526 12.779 -12.195 1.00 0.00 N ATOM 975 CA SER A 68 -1.597 12.788 -13.174 1.00 0.00 C ATOM 976 C SER A 68 -1.500 11.590 -14.123 1.00 0.00 C ATOM 977 O SER A 68 -1.504 11.763 -15.342 1.00 0.00 O ATOM 978 CB SER A 68 -1.650 14.133 -13.919 1.00 0.00 C ATOM 979 OG SER A 68 -2.758 14.157 -14.797 1.00 0.00 O ATOM 0 H SER A 68 -0.864 12.647 -11.242 1.00 0.00 H new ATOM 0 HA SER A 68 -2.544 12.682 -12.644 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.725 14.952 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.728 14.284 -14.480 1.00 0.00 H new ATOM 0 HG SER A 68 -2.696 13.405 -15.423 1.00 0.00 H new ATOM 985 N ARG A 69 -1.460 10.376 -13.562 1.00 0.00 N ATOM 986 CA ARG A 69 -1.621 9.136 -14.314 1.00 0.00 C ATOM 987 C ARG A 69 -2.808 8.355 -13.754 1.00 0.00 C ATOM 988 O ARG A 69 -3.419 8.763 -12.759 1.00 0.00 O ATOM 989 CB ARG A 69 -0.345 8.281 -14.301 1.00 0.00 C ATOM 990 CG ARG A 69 0.854 8.930 -14.989 1.00 0.00 C ATOM 991 CD ARG A 69 1.726 9.657 -13.971 1.00 0.00 C ATOM 992 NE ARG A 69 2.978 10.125 -14.579 1.00 0.00 N ATOM 993 CZ ARG A 69 4.048 9.347 -14.806 1.00 0.00 C ATOM 994 NH1 ARG A 69 3.998 8.041 -14.511 1.00 0.00 N ATOM 995 NH2 ARG A 69 5.160 9.878 -15.326 1.00 0.00 N ATOM 0 H ARG A 69 -1.313 10.230 -12.563 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.813 9.391 -15.356 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.080 8.061 -13.267 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.555 7.328 -14.786 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.442 8.169 -15.502 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.509 9.632 -15.748 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.179 10.506 -13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.950 8.990 -13.139 1.00 0.00 H new ATOM 0 HE ARG A 69 3.039 11.107 -14.847 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.148 7.640 -14.115 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.810 7.448 -14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.194 10.873 -15.549 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.974 9.288 -15.499 1.00 0.00 H new ATOM 1009 N LYS A 70 -3.131 7.237 -14.404 1.00 0.00 N ATOM 1010 CA LYS A 70 -4.148 6.308 -14.003 1.00 0.00 C ATOM 1011 C LYS A 70 -3.499 5.245 -13.118 1.00 0.00 C ATOM 1012 O LYS A 70 -2.308 5.286 -12.805 1.00 0.00 O ATOM 1013 CB LYS A 70 -4.743 5.720 -15.284 1.00 0.00 C ATOM 1014 CG LYS A 70 -5.696 6.715 -15.959 1.00 0.00 C ATOM 1015 CD LYS A 70 -6.000 6.330 -17.419 1.00 0.00 C ATOM 1016 CE LYS A 70 -5.401 7.336 -18.415 1.00 0.00 C ATOM 1017 NZ LYS A 70 -3.938 7.195 -18.578 1.00 0.00 N ATOM 0 H LYS A 70 -2.659 6.955 -15.263 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.948 6.772 -13.426 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.941 5.456 -15.973 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.279 4.800 -15.051 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.628 6.762 -15.396 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.256 7.712 -15.932 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.601 5.336 -17.623 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.079 6.276 -17.563 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.882 7.207 -19.385 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.627 8.348 -18.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.474 8.094 -18.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.589 6.446 -17.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.721 6.945 -19.564 1.00 0.00 H new ATOM 1031 N HIS A 71 -4.330 4.335 -12.624 1.00 0.00 N ATOM 1032 CA HIS A 71 -3.897 3.283 -11.735 1.00 0.00 C ATOM 1033 C HIS A 71 -3.136 2.229 -12.523 1.00 0.00 C ATOM 1034 O HIS A 71 -3.546 1.866 -13.624 1.00 0.00 O ATOM 1035 CB HIS A 71 -5.117 2.645 -11.083 1.00 0.00 C ATOM 1036 CG HIS A 71 -4.735 1.605 -10.072 1.00 0.00 C ATOM 1037 ND1 HIS A 71 -3.941 1.773 -8.939 1.00 0.00 N ATOM 1038 CD2 HIS A 71 -5.139 0.307 -10.065 1.00 0.00 C ATOM 1039 CE1 HIS A 71 -3.755 0.566 -8.379 1.00 0.00 C ATOM 1040 NE2 HIS A 71 -4.612 -0.271 -8.953 1.00 0.00 N ATOM 0 H HIS A 71 -5.328 4.313 -12.835 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.245 3.700 -10.968 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.715 3.417 -10.600 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.743 2.191 -11.851 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -3.567 2.657 -8.595 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.762 -0.175 -10.804 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.041 0.322 -7.606 1.00 0.00 H new ATOM 1048 N GLY A 72 -2.077 1.695 -11.925 1.00 0.00 N ATOM 1049 CA GLY A 72 -1.374 0.553 -12.460 1.00 0.00 C ATOM 1050 C GLY A 72 -0.300 0.149 -11.456 1.00 0.00 C ATOM 1051 O GLY A 72 -0.267 0.675 -10.343 1.00 0.00 O ATOM 0 H GLY A 72 -1.686 2.049 -11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.064 -0.273 -12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.924 0.799 -13.422 1.00 0.00 H new ATOM 1055 N GLY A 73 0.538 -0.813 -11.820 1.00 0.00 N ATOM 1056 CA GLY A 73 1.492 -1.449 -10.935 1.00 0.00 C ATOM 1057 C GLY A 73 2.855 -0.782 -11.042 1.00 0.00 C ATOM 1058 O GLY A 73 3.183 -0.196 -12.071 1.00 0.00 O ATOM 0 H GLY A 73 0.570 -1.180 -12.771 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.134 -1.393 -9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.579 -2.506 -11.185 1.00 0.00 H new ATOM 1062 N PRO A 74 3.725 -0.956 -10.038 1.00 0.00 N ATOM 1063 CA PRO A 74 5.112 -0.532 -10.140 1.00 0.00 C ATOM 1064 C PRO A 74 5.819 -1.201 -11.328 1.00 0.00 C ATOM 1065 O PRO A 74 6.829 -0.688 -11.807 1.00 0.00 O ATOM 1066 CB PRO A 74 5.742 -0.882 -8.788 1.00 0.00 C ATOM 1067 CG PRO A 74 4.888 -2.042 -8.273 1.00 0.00 C ATOM 1068 CD PRO A 74 3.498 -1.737 -8.834 1.00 0.00 C ATOM 0 HA PRO A 74 5.204 0.536 -10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.787 -1.173 -8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.717 -0.034 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.261 -3.003 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.881 -2.083 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.956 -2.656 -9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.898 -1.181 -8.114 1.00 0.00 H new ATOM 1076 N LYS A 75 5.280 -2.333 -11.803 1.00 0.00 N ATOM 1077 CA LYS A 75 5.779 -3.077 -12.952 1.00 0.00 C ATOM 1078 C LYS A 75 5.074 -2.727 -14.275 1.00 0.00 C ATOM 1079 O LYS A 75 5.466 -3.282 -15.301 1.00 0.00 O ATOM 1080 CB LYS A 75 5.703 -4.584 -12.625 1.00 0.00 C ATOM 1081 CG LYS A 75 7.089 -5.138 -12.259 1.00 0.00 C ATOM 1082 CD LYS A 75 7.794 -5.672 -13.517 1.00 0.00 C ATOM 1083 CE LYS A 75 9.316 -5.485 -13.437 1.00 0.00 C ATOM 1084 NZ LYS A 75 10.014 -6.188 -14.534 1.00 0.00 N ATOM 0 H LYS A 75 4.458 -2.764 -11.379 1.00 0.00 H new ATOM 0 HA LYS A 75 6.815 -2.787 -13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.012 -4.746 -11.797 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.305 -5.126 -13.483 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.692 -4.355 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.988 -5.936 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.563 -6.730 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.410 -5.156 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.554 -4.422 -13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.678 -5.857 -12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.039 -6.038 -14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.807 -7.206 -14.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.687 -5.815 -15.448 1.00 0.00 H new ATOM 1098 N ASP A 76 4.083 -1.826 -14.279 1.00 0.00 N ATOM 1099 CA ASP A 76 3.409 -1.373 -15.495 1.00 0.00 C ATOM 1100 C ASP A 76 3.913 0.022 -15.872 1.00 0.00 C ATOM 1101 O ASP A 76 4.606 0.686 -15.098 1.00 0.00 O ATOM 1102 CB ASP A 76 1.884 -1.352 -15.302 1.00 0.00 C ATOM 1103 CG ASP A 76 1.280 -2.689 -14.897 1.00 0.00 C ATOM 1104 OD1 ASP A 76 1.223 -3.602 -15.753 1.00 0.00 O ATOM 1105 OD2 ASP A 76 0.848 -2.754 -13.727 1.00 0.00 O ATOM 0 H ASP A 76 3.726 -1.389 -13.429 1.00 0.00 H new ATOM 0 HA ASP A 76 3.638 -2.071 -16.301 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.637 -0.611 -14.542 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.418 -1.023 -16.231 1.00 0.00 H new ATOM 1110 N GLU A 77 3.538 0.474 -17.072 1.00 0.00 N ATOM 1111 CA GLU A 77 3.739 1.849 -17.504 1.00 0.00 C ATOM 1112 C GLU A 77 2.938 2.804 -16.610 1.00 0.00 C ATOM 1113 O GLU A 77 3.417 3.877 -16.240 1.00 0.00 O ATOM 1114 CB GLU A 77 3.361 1.993 -18.989 1.00 0.00 C ATOM 1115 CG GLU A 77 1.969 1.459 -19.371 1.00 0.00 C ATOM 1116 CD GLU A 77 1.663 1.759 -20.832 1.00 0.00 C ATOM 1117 OE1 GLU A 77 2.370 1.179 -21.682 1.00 0.00 O ATOM 1118 OE2 GLU A 77 0.743 2.571 -21.069 1.00 0.00 O ATOM 0 H GLU A 77 3.084 -0.113 -17.772 1.00 0.00 H new ATOM 0 HA GLU A 77 4.791 2.115 -17.405 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.413 3.048 -19.259 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.108 1.473 -19.589 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.926 0.384 -19.198 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.211 1.915 -18.734 1.00 0.00 H new ATOM 1125 N GLU A 78 1.719 2.388 -16.269 1.00 0.00 N ATOM 1126 CA GLU A 78 0.786 3.140 -15.444 1.00 0.00 C ATOM 1127 C GLU A 78 0.974 2.741 -13.990 1.00 0.00 C ATOM 1128 O GLU A 78 1.353 1.619 -13.679 1.00 0.00 O ATOM 1129 CB GLU A 78 -0.647 2.885 -15.923 1.00 0.00 C ATOM 1130 CG GLU A 78 -0.917 3.746 -17.166 1.00 0.00 C ATOM 1131 CD GLU A 78 -1.558 5.087 -16.850 1.00 0.00 C ATOM 1132 OE1 GLU A 78 -1.491 5.516 -15.683 1.00 0.00 O ATOM 1133 OE2 GLU A 78 -2.166 5.686 -17.763 1.00 0.00 O ATOM 0 H GLU A 78 1.345 1.488 -16.571 1.00 0.00 H new ATOM 0 HA GLU A 78 0.978 4.209 -15.531 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.783 1.830 -16.159 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.357 3.130 -15.133 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.023 3.917 -17.690 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.566 3.194 -17.846 1.00 0.00 H new ATOM 1140 N ARG A 79 0.717 3.699 -13.110 1.00 0.00 N ATOM 1141 CA ARG A 79 0.950 3.640 -11.672 1.00 0.00 C ATOM 1142 C ARG A 79 0.870 5.065 -11.137 1.00 0.00 C ATOM 1143 O ARG A 79 1.470 5.989 -11.691 1.00 0.00 O ATOM 1144 CB ARG A 79 2.287 3.004 -11.269 1.00 0.00 C ATOM 1145 CG ARG A 79 3.493 3.325 -12.160 1.00 0.00 C ATOM 1146 CD ARG A 79 4.746 3.445 -11.289 1.00 0.00 C ATOM 1147 NE ARG A 79 5.965 3.183 -12.067 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.212 3.354 -11.600 1.00 0.00 C ATOM 1149 NH1 ARG A 79 7.398 3.809 -10.355 1.00 0.00 N ATOM 1150 NH2 ARG A 79 8.262 3.077 -12.381 1.00 0.00 N ATOM 0 H ARG A 79 0.316 4.592 -13.397 1.00 0.00 H new ATOM 0 HA ARG A 79 0.188 2.991 -11.241 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.521 3.318 -10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.157 1.922 -11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.628 2.542 -12.906 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.322 4.255 -12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.796 4.444 -10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.683 2.741 -10.459 1.00 0.00 H new ATOM 0 HE ARG A 79 5.856 2.849 -13.025 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.594 4.024 -9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.344 3.940 -9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.115 2.736 -13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.210 3.207 -12.027 1.00 0.00 H new ATOM 1164 N HIS A 80 0.134 5.232 -10.043 1.00 0.00 N ATOM 1165 CA HIS A 80 0.145 6.441 -9.242 1.00 0.00 C ATOM 1166 C HIS A 80 1.445 6.502 -8.422 1.00 0.00 C ATOM 1167 O HIS A 80 2.256 5.580 -8.497 1.00 0.00 O ATOM 1168 CB HIS A 80 -1.099 6.411 -8.351 1.00 0.00 C ATOM 1169 CG HIS A 80 -2.404 6.150 -9.072 1.00 0.00 C ATOM 1170 ND1 HIS A 80 -3.439 5.285 -8.696 1.00 0.00 N ATOM 1171 CD2 HIS A 80 -2.831 6.772 -10.209 1.00 0.00 C ATOM 1172 CE1 HIS A 80 -4.514 5.601 -9.433 1.00 0.00 C ATOM 1173 NE2 HIS A 80 -4.139 6.435 -10.400 1.00 0.00 N ATOM 0 H HIS A 80 -0.497 4.515 -9.686 1.00 0.00 H new ATOM 0 HA HIS A 80 0.118 7.337 -9.862 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.963 5.642 -7.591 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.175 7.365 -7.829 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -3.385 4.550 -7.991 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.240 7.415 -10.844 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.518 5.239 -9.269 1.00 0.00 H new ATOM 1181 N VAL A 81 1.664 7.552 -7.617 1.00 0.00 N ATOM 1182 CA VAL A 81 2.861 7.588 -6.774 1.00 0.00 C ATOM 1183 C VAL A 81 2.773 6.491 -5.716 1.00 0.00 C ATOM 1184 O VAL A 81 3.656 5.647 -5.610 1.00 0.00 O ATOM 1185 CB VAL A 81 3.146 8.978 -6.167 1.00 0.00 C ATOM 1186 CG1 VAL A 81 3.325 10.001 -7.286 1.00 0.00 C ATOM 1187 CG2 VAL A 81 2.114 9.483 -5.151 1.00 0.00 C ATOM 0 H VAL A 81 1.049 8.361 -7.534 1.00 0.00 H new ATOM 0 HA VAL A 81 3.723 7.391 -7.412 1.00 0.00 H new ATOM 0 HB VAL A 81 4.064 8.856 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.526 10.981 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.161 9.705 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.415 10.048 -7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.412 10.467 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.137 9.553 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.059 8.789 -4.312 1.00 0.00 H new ATOM 1197 N GLY A 82 1.677 6.470 -4.955 1.00 0.00 N ATOM 1198 CA GLY A 82 1.527 5.536 -3.854 1.00 0.00 C ATOM 1199 C GLY A 82 0.833 4.249 -4.285 1.00 0.00 C ATOM 1200 O GLY A 82 -0.032 3.768 -3.551 1.00 0.00 O ATOM 0 H GLY A 82 0.881 7.094 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.509 5.298 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.954 6.007 -3.055 1.00 0.00 H new ATOM 1204 N ASP A 83 1.175 3.715 -5.466 1.00 0.00 N ATOM 1205 CA ASP A 83 0.560 2.534 -6.058 1.00 0.00 C ATOM 1206 C ASP A 83 1.478 1.334 -5.869 1.00 0.00 C ATOM 1207 O ASP A 83 2.092 0.830 -6.808 1.00 0.00 O ATOM 1208 CB ASP A 83 0.290 2.852 -7.544 1.00 0.00 C ATOM 1209 CG ASP A 83 -1.173 2.832 -7.911 1.00 0.00 C ATOM 1210 OD1 ASP A 83 -2.008 2.597 -7.009 1.00 0.00 O ATOM 1211 OD2 ASP A 83 -1.471 3.125 -9.084 1.00 0.00 O ATOM 0 H ASP A 83 1.912 4.111 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.385 2.280 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.701 3.834 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.821 2.129 -8.164 1.00 0.00 H new ATOM 1216 N LEU A 84 1.554 0.836 -4.637 1.00 0.00 N ATOM 1217 CA LEU A 84 2.484 -0.226 -4.281 1.00 0.00 C ATOM 1218 C LEU A 84 1.823 -1.579 -4.536 1.00 0.00 C ATOM 1219 O LEU A 84 1.861 -2.466 -3.686 1.00 0.00 O ATOM 1220 CB LEU A 84 2.932 -0.026 -2.826 1.00 0.00 C ATOM 1221 CG LEU A 84 3.408 1.412 -2.536 1.00 0.00 C ATOM 1222 CD1 LEU A 84 3.901 1.499 -1.089 1.00 0.00 C ATOM 1223 CD2 LEU A 84 4.514 1.865 -3.496 1.00 0.00 C ATOM 0 H LEU A 84 0.974 1.158 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 84 3.382 -0.196 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.105 -0.271 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.739 -0.723 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 84 2.561 2.081 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.238 2.514 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.087 1.240 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.729 0.805 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.814 2.884 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.373 1.200 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.142 1.834 -4.520 1.00 0.00 H new ATOM 1235 N GLY A 85 1.218 -1.703 -5.725 1.00 0.00 N ATOM 1236 CA GLY A 85 0.232 -2.707 -6.098 1.00 0.00 C ATOM 1237 C GLY A 85 -0.435 -3.417 -4.915 1.00 0.00 C ATOM 1238 O GLY A 85 -1.034 -2.781 -4.047 1.00 0.00 O ATOM 0 H GLY A 85 1.421 -1.063 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.541 -2.231 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.714 -3.454 -6.728 1.00 0.00 H new ATOM 1242 N ASN A 86 -0.309 -4.744 -4.892 1.00 0.00 N ATOM 1243 CA ASN A 86 -0.915 -5.621 -3.898 1.00 0.00 C ATOM 1244 C ASN A 86 0.149 -6.308 -3.060 1.00 0.00 C ATOM 1245 O ASN A 86 1.271 -6.508 -3.526 1.00 0.00 O ATOM 1246 CB ASN A 86 -1.827 -6.678 -4.545 1.00 0.00 C ATOM 1247 CG ASN A 86 -1.249 -7.377 -5.777 1.00 0.00 C ATOM 1248 OD1 ASN A 86 -1.992 -7.759 -6.673 1.00 0.00 O ATOM 1249 ND2 ASN A 86 0.065 -7.598 -5.843 1.00 0.00 N ATOM 0 H ASN A 86 0.236 -5.252 -5.589 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.528 -4.991 -3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.065 -7.434 -3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.766 -6.201 -4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.460 -8.089 -6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.675 -7.276 -5.092 1.00 0.00 H new ATOM 1256 N VAL A 87 -0.241 -6.734 -1.859 1.00 0.00 N ATOM 1257 CA VAL A 87 0.582 -7.514 -0.952 1.00 0.00 C ATOM 1258 C VAL A 87 0.030 -8.926 -0.963 1.00 0.00 C ATOM 1259 O VAL A 87 -1.119 -9.114 -1.350 1.00 0.00 O ATOM 1260 CB VAL A 87 0.567 -6.913 0.461 1.00 0.00 C ATOM 1261 CG1 VAL A 87 1.067 -5.468 0.417 1.00 0.00 C ATOM 1262 CG2 VAL A 87 -0.817 -6.983 1.119 1.00 0.00 C ATOM 0 H VAL A 87 -1.169 -6.536 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 87 1.624 -7.511 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 87 1.236 -7.514 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.054 -5.048 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.085 -5.447 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.419 -4.878 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.769 -6.544 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.536 -6.431 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.131 -8.024 1.196 1.00 0.00 H new ATOM 1272 N THR A 88 0.833 -9.888 -0.518 1.00 0.00 N ATOM 1273 CA THR A 88 0.493 -11.307 -0.512 1.00 0.00 C ATOM 1274 C THR A 88 0.300 -11.722 0.934 1.00 0.00 C ATOM 1275 O THR A 88 1.221 -11.567 1.732 1.00 0.00 O ATOM 1276 CB THR A 88 1.603 -12.118 -1.199 1.00 0.00 C ATOM 1277 OG1 THR A 88 1.973 -11.489 -2.411 1.00 0.00 O ATOM 1278 CG2 THR A 88 1.128 -13.536 -1.530 1.00 0.00 C ATOM 0 H THR A 88 1.762 -9.697 -0.142 1.00 0.00 H new ATOM 0 HA THR A 88 -0.425 -11.497 -1.069 1.00 0.00 H new ATOM 0 HB THR A 88 2.448 -12.169 -0.513 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.682 -12.008 -2.846 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.934 -14.086 -2.015 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.842 -14.048 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.269 -13.485 -2.200 1.00 0.00 H new ATOM 1286 N ALA A 89 -0.898 -12.199 1.273 1.00 0.00 N ATOM 1287 CA ALA A 89 -1.213 -12.695 2.598 1.00 0.00 C ATOM 1288 C ALA A 89 -1.024 -14.208 2.640 1.00 0.00 C ATOM 1289 O ALA A 89 -1.366 -14.909 1.684 1.00 0.00 O ATOM 1290 CB ALA A 89 -2.635 -12.305 2.992 1.00 0.00 C ATOM 0 H ALA A 89 -1.681 -12.249 0.622 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.534 -12.242 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.854 -12.686 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.728 -11.219 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.340 -12.731 2.278 1.00 0.00 H new ATOM 1296 N ASP A 90 -0.490 -14.674 3.767 1.00 0.00 N ATOM 1297 CA ASP A 90 -0.223 -16.061 4.095 1.00 0.00 C ATOM 1298 C ASP A 90 -1.520 -16.766 4.484 1.00 0.00 C ATOM 1299 O ASP A 90 -2.556 -16.131 4.680 1.00 0.00 O ATOM 1300 CB ASP A 90 0.827 -16.105 5.223 1.00 0.00 C ATOM 1301 CG ASP A 90 1.701 -17.355 5.195 1.00 0.00 C ATOM 1302 OD1 ASP A 90 1.167 -18.419 4.806 1.00 0.00 O ATOM 1303 OD2 ASP A 90 2.883 -17.238 5.564 1.00 0.00 O ATOM 0 H ASP A 90 -0.216 -14.045 4.522 1.00 0.00 H new ATOM 0 HA ASP A 90 0.178 -16.591 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.465 -15.224 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.317 -16.050 6.185 1.00 0.00 H new ATOM 1308 N LYS A 91 -1.434 -18.080 4.683 1.00 0.00 N ATOM 1309 CA LYS A 91 -2.462 -18.961 5.197 1.00 0.00 C ATOM 1310 C LYS A 91 -3.021 -18.465 6.533 1.00 0.00 C ATOM 1311 O LYS A 91 -4.135 -18.821 6.909 1.00 0.00 O ATOM 1312 CB LYS A 91 -1.846 -20.361 5.339 1.00 0.00 C ATOM 1313 CG LYS A 91 -0.606 -20.404 6.256 1.00 0.00 C ATOM 1314 CD LYS A 91 -0.671 -21.528 7.297 1.00 0.00 C ATOM 1315 CE LYS A 91 -0.432 -22.907 6.662 1.00 0.00 C ATOM 1316 NZ LYS A 91 -1.584 -23.811 6.840 1.00 0.00 N ATOM 0 H LYS A 91 -0.575 -18.588 4.470 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.305 -18.985 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.601 -21.042 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.569 -20.728 4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.287 -20.533 5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.506 -19.447 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.075 -21.350 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.646 -21.516 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.230 -22.785 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.455 -23.360 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.377 -24.728 6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.763 -23.950 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.426 -23.393 6.395 1.00 0.00 H new ATOM 1330 N ASP A 92 -2.232 -17.658 7.248 1.00 0.00 N ATOM 1331 CA ASP A 92 -2.536 -17.144 8.566 1.00 0.00 C ATOM 1332 C ASP A 92 -3.139 -15.739 8.459 1.00 0.00 C ATOM 1333 O ASP A 92 -3.486 -15.120 9.463 1.00 0.00 O ATOM 1334 CB ASP A 92 -1.230 -17.158 9.372 1.00 0.00 C ATOM 1335 CG ASP A 92 -1.160 -18.363 10.301 1.00 0.00 C ATOM 1336 OD1 ASP A 92 -1.015 -19.486 9.767 1.00 0.00 O ATOM 1337 OD2 ASP A 92 -1.259 -18.142 11.527 1.00 0.00 O ATOM 0 H ASP A 92 -1.328 -17.338 6.900 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.279 -17.759 9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.380 -17.174 8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.152 -16.241 9.957 1.00 0.00 H new ATOM 1342 N GLY A 93 -3.261 -15.216 7.234 1.00 0.00 N ATOM 1343 CA GLY A 93 -3.822 -13.901 6.984 1.00 0.00 C ATOM 1344 C GLY A 93 -2.905 -12.791 7.498 1.00 0.00 C ATOM 1345 O GLY A 93 -3.384 -11.753 7.974 1.00 0.00 O ATOM 0 H GLY A 93 -2.968 -15.704 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.986 -13.772 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.796 -13.822 7.467 1.00 0.00 H new ATOM 1349 N VAL A 94 -1.593 -13.018 7.357 1.00 0.00 N ATOM 1350 CA VAL A 94 -0.512 -12.074 7.600 1.00 0.00 C ATOM 1351 C VAL A 94 0.087 -11.740 6.240 1.00 0.00 C ATOM 1352 O VAL A 94 0.362 -12.668 5.489 1.00 0.00 O ATOM 1353 CB VAL A 94 0.548 -12.708 8.520 1.00 0.00 C ATOM 1354 CG1 VAL A 94 1.826 -11.849 8.639 1.00 0.00 C ATOM 1355 CG2 VAL A 94 -0.064 -12.987 9.898 1.00 0.00 C ATOM 0 H VAL A 94 -1.243 -13.926 7.050 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.875 -11.173 8.095 1.00 0.00 H new ATOM 0 HB VAL A 94 0.859 -13.649 8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.537 -12.345 9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.273 -11.723 7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.571 -10.872 9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.689 -13.436 10.546 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.411 -12.052 10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.905 -13.672 9.791 1.00 0.00 H new ATOM 1365 N ALA A 95 0.261 -10.459 5.900 1.00 0.00 N ATOM 1366 CA ALA A 95 0.881 -10.048 4.645 1.00 0.00 C ATOM 1367 C ALA A 95 2.108 -9.215 4.955 1.00 0.00 C ATOM 1368 O ALA A 95 1.983 -8.050 5.344 1.00 0.00 O ATOM 1369 CB ALA A 95 -0.082 -9.275 3.736 1.00 0.00 C ATOM 0 H ALA A 95 -0.026 -9.679 6.492 1.00 0.00 H new ATOM 0 HA ALA A 95 1.164 -10.946 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.432 -8.994 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.939 -9.904 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.425 -8.377 4.249 1.00 0.00 H new ATOM 1375 N ASP A 96 3.273 -9.835 4.796 1.00 0.00 N ATOM 1376 CA ASP A 96 4.574 -9.221 4.959 1.00 0.00 C ATOM 1377 C ASP A 96 4.863 -8.390 3.714 1.00 0.00 C ATOM 1378 O ASP A 96 4.978 -8.932 2.615 1.00 0.00 O ATOM 1379 CB ASP A 96 5.642 -10.299 5.172 1.00 0.00 C ATOM 1380 CG ASP A 96 5.275 -11.210 6.332 1.00 0.00 C ATOM 1381 OD1 ASP A 96 4.426 -12.094 6.087 1.00 0.00 O ATOM 1382 OD2 ASP A 96 5.813 -10.981 7.435 1.00 0.00 O ATOM 0 H ASP A 96 3.332 -10.820 4.539 1.00 0.00 H new ATOM 0 HA ASP A 96 4.587 -8.574 5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.754 -10.890 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.605 -9.828 5.366 1.00 0.00 H new ATOM 1387 N VAL A 97 4.965 -7.071 3.871 1.00 0.00 N ATOM 1388 CA VAL A 97 5.332 -6.175 2.783 1.00 0.00 C ATOM 1389 C VAL A 97 6.830 -5.928 2.899 1.00 0.00 C ATOM 1390 O VAL A 97 7.330 -5.860 4.019 1.00 0.00 O ATOM 1391 CB VAL A 97 4.547 -4.853 2.866 1.00 0.00 C ATOM 1392 CG1 VAL A 97 4.633 -4.086 1.538 1.00 0.00 C ATOM 1393 CG2 VAL A 97 3.085 -5.108 3.242 1.00 0.00 C ATOM 0 H VAL A 97 4.795 -6.596 4.758 1.00 0.00 H new ATOM 0 HA VAL A 97 5.088 -6.621 1.819 1.00 0.00 H new ATOM 0 HB VAL A 97 4.999 -4.242 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.072 -3.155 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.676 -3.862 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.212 -4.695 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.552 -4.159 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.621 -5.744 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.040 -5.603 4.212 1.00 0.00 H new ATOM 1403 N SER A 98 7.529 -5.765 1.772 1.00 0.00 N ATOM 1404 CA SER A 98 8.911 -5.303 1.718 1.00 0.00 C ATOM 1405 C SER A 98 9.229 -4.860 0.286 1.00 0.00 C ATOM 1406 O SER A 98 9.558 -5.691 -0.557 1.00 0.00 O ATOM 1407 CB SER A 98 9.894 -6.379 2.212 1.00 0.00 C ATOM 1408 OG SER A 98 11.069 -5.760 2.720 1.00 0.00 O ATOM 0 H SER A 98 7.136 -5.957 0.851 1.00 0.00 H new ATOM 0 HA SER A 98 9.029 -4.454 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.426 -6.984 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.151 -7.053 1.395 1.00 0.00 H new ATOM 0 HG SER A 98 11.691 -6.448 3.035 1.00 0.00 H new ATOM 1414 N ILE A 99 9.131 -3.561 0.007 1.00 0.00 N ATOM 1415 CA ILE A 99 9.431 -2.962 -1.285 1.00 0.00 C ATOM 1416 C ILE A 99 10.120 -1.622 -1.022 1.00 0.00 C ATOM 1417 O ILE A 99 10.417 -1.306 0.128 1.00 0.00 O ATOM 1418 CB ILE A 99 8.142 -2.924 -2.130 1.00 0.00 C ATOM 1419 CG1 ILE A 99 8.403 -2.647 -3.619 1.00 0.00 C ATOM 1420 CG2 ILE A 99 7.063 -1.972 -1.602 1.00 0.00 C ATOM 1421 CD1 ILE A 99 7.362 -3.312 -4.523 1.00 0.00 C ATOM 0 H ILE A 99 8.830 -2.876 0.701 1.00 0.00 H new ATOM 0 HA ILE A 99 10.130 -3.540 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 99 7.749 -3.936 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.398 -1.571 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.396 -3.008 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.193 -2.009 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.773 -2.273 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.455 -0.955 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.589 -3.088 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.384 -4.391 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.371 -2.932 -4.277 1.00 0.00 H new ATOM 1433 N GLU A 100 10.435 -0.858 -2.061 1.00 0.00 N ATOM 1434 CA GLU A 100 11.085 0.432 -1.947 1.00 0.00 C ATOM 1435 C GLU A 100 10.568 1.335 -3.059 1.00 0.00 C ATOM 1436 O GLU A 100 10.035 0.823 -4.048 1.00 0.00 O ATOM 1437 CB GLU A 100 12.614 0.273 -1.985 1.00 0.00 C ATOM 1438 CG GLU A 100 13.168 -0.228 -3.330 1.00 0.00 C ATOM 1439 CD GLU A 100 13.933 0.865 -4.079 1.00 0.00 C ATOM 1440 OE1 GLU A 100 13.286 1.843 -4.519 1.00 0.00 O ATOM 1441 OE2 GLU A 100 15.169 0.708 -4.175 1.00 0.00 O ATOM 0 H GLU A 100 10.239 -1.128 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 100 10.848 0.893 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.073 1.234 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.914 -0.422 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.828 -1.078 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.346 -0.585 -3.950 1.00 0.00 H new ATOM 1448 N ASP A 101 10.720 2.648 -2.881 1.00 0.00 N ATOM 1449 CA ASP A 101 10.443 3.624 -3.916 1.00 0.00 C ATOM 1450 C ASP A 101 11.584 4.628 -3.976 1.00 0.00 C ATOM 1451 O ASP A 101 12.180 4.980 -2.957 1.00 0.00 O ATOM 1452 CB ASP A 101 9.145 4.371 -3.616 1.00 0.00 C ATOM 1453 CG ASP A 101 7.909 3.514 -3.830 1.00 0.00 C ATOM 1454 OD1 ASP A 101 7.475 3.445 -5.001 1.00 0.00 O ATOM 1455 OD2 ASP A 101 7.406 2.984 -2.815 1.00 0.00 O ATOM 0 H ASP A 101 11.042 3.059 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 101 10.343 3.104 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.164 4.722 -2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.084 5.254 -4.252 1.00 0.00 H new ATOM 1460 N SER A 102 11.801 5.151 -5.184 1.00 0.00 N ATOM 1461 CA SER A 102 12.719 6.228 -5.492 1.00 0.00 C ATOM 1462 C SER A 102 11.938 7.433 -6.027 1.00 0.00 C ATOM 1463 O SER A 102 12.363 8.066 -6.991 1.00 0.00 O ATOM 1464 CB SER A 102 13.744 5.724 -6.514 1.00 0.00 C ATOM 1465 OG SER A 102 14.446 4.598 -6.017 1.00 0.00 O ATOM 0 H SER A 102 11.311 4.811 -6.011 1.00 0.00 H new ATOM 0 HA SER A 102 13.249 6.548 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.238 5.460 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.449 6.521 -6.751 1.00 0.00 H new ATOM 0 HG SER A 102 15.093 4.294 -6.687 1.00 0.00 H new ATOM 1471 N VAL A 103 10.779 7.728 -5.425 1.00 0.00 N ATOM 1472 CA VAL A 103 9.935 8.859 -5.790 1.00 0.00 C ATOM 1473 C VAL A 103 9.262 9.463 -4.557 1.00 0.00 C ATOM 1474 O VAL A 103 9.456 10.642 -4.270 1.00 0.00 O ATOM 1475 CB VAL A 103 8.961 8.466 -6.917 1.00 0.00 C ATOM 1476 CG1 VAL A 103 8.013 7.300 -6.605 1.00 0.00 C ATOM 1477 CG2 VAL A 103 8.149 9.682 -7.388 1.00 0.00 C ATOM 0 H VAL A 103 10.400 7.174 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 103 10.554 9.658 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 103 9.612 8.103 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.374 7.110 -7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 103 8.596 6.407 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.395 7.554 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.469 9.379 -8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.575 10.082 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.827 10.449 -7.762 1.00 0.00 H new ATOM 1487 N ILE A 104 8.478 8.677 -3.813 1.00 0.00 N ATOM 1488 CA ILE A 104 7.906 9.134 -2.565 1.00 0.00 C ATOM 1489 C ILE A 104 9.012 9.283 -1.514 1.00 0.00 C ATOM 1490 O ILE A 104 10.092 8.709 -1.664 1.00 0.00 O ATOM 1491 CB ILE A 104 6.736 8.221 -2.152 1.00 0.00 C ATOM 1492 CG1 ILE A 104 7.007 6.706 -2.049 1.00 0.00 C ATOM 1493 CG2 ILE A 104 5.555 8.438 -3.109 1.00 0.00 C ATOM 1494 CD1 ILE A 104 7.944 6.306 -0.904 1.00 0.00 C ATOM 0 H ILE A 104 8.231 7.720 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 104 7.469 10.126 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 104 6.530 8.529 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.057 6.187 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 104 7.436 6.361 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.727 7.792 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.236 9.479 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.862 8.197 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.079 5.224 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.910 6.793 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.510 6.616 0.047 1.00 0.00 H new ATOM 1506 N SER A 105 8.785 10.084 -0.470 1.00 0.00 N ATOM 1507 CA SER A 105 9.760 10.285 0.592 1.00 0.00 C ATOM 1508 C SER A 105 9.017 10.737 1.839 1.00 0.00 C ATOM 1509 O SER A 105 7.799 10.802 1.836 1.00 0.00 O ATOM 1510 CB SER A 105 10.866 11.239 0.116 1.00 0.00 C ATOM 1511 OG SER A 105 11.864 10.485 -0.541 1.00 0.00 O ATOM 0 H SER A 105 7.920 10.609 -0.342 1.00 0.00 H new ATOM 0 HA SER A 105 10.279 9.362 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.453 11.989 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.294 11.774 0.964 1.00 0.00 H new ATOM 0 HG SER A 105 11.446 9.750 -1.036 1.00 0.00 H new ATOM 1517 N LEU A 106 9.727 11.038 2.923 1.00 0.00 N ATOM 1518 CA LEU A 106 9.139 11.603 4.128 1.00 0.00 C ATOM 1519 C LEU A 106 9.327 13.123 4.102 1.00 0.00 C ATOM 1520 O LEU A 106 9.289 13.783 5.136 1.00 0.00 O ATOM 1521 CB LEU A 106 9.786 10.961 5.363 1.00 0.00 C ATOM 1522 CG LEU A 106 9.652 9.426 5.384 1.00 0.00 C ATOM 1523 CD1 LEU A 106 10.767 8.715 4.601 1.00 0.00 C ATOM 1524 CD2 LEU A 106 9.631 8.951 6.838 1.00 0.00 C ATOM 0 H LEU A 106 10.735 10.894 2.987 1.00 0.00 H new ATOM 0 HA LEU A 106 8.070 11.394 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.842 11.228 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.327 11.373 6.262 1.00 0.00 H new ATOM 0 HG LEU A 106 8.719 9.165 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.617 7.637 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.741 9.035 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.734 8.968 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.536 7.865 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.557 9.247 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.784 9.402 7.356 1.00 0.00 H new ATOM 1566 N HIS A 110 6.369 14.965 -1.839 1.00 0.00 N ATOM 1567 CA HIS A 110 5.808 13.628 -1.684 1.00 0.00 C ATOM 1568 C HIS A 110 6.101 13.029 -0.297 1.00 0.00 C ATOM 1569 O HIS A 110 6.420 11.846 -0.199 1.00 0.00 O ATOM 1570 CB HIS A 110 6.372 12.711 -2.777 1.00 0.00 C ATOM 1571 CG HIS A 110 6.153 13.175 -4.194 1.00 0.00 C ATOM 1572 ND1 HIS A 110 5.117 12.791 -5.014 1.00 0.00 N ATOM 1573 CD2 HIS A 110 7.036 13.899 -4.952 1.00 0.00 C ATOM 1574 CE1 HIS A 110 5.365 13.291 -6.237 1.00 0.00 C ATOM 1575 NE2 HIS A 110 6.527 13.962 -6.254 1.00 0.00 N ATOM 0 HA HIS A 110 4.725 13.708 -1.779 1.00 0.00 H new ATOM 0 HB2 HIS A 110 7.443 12.596 -2.613 1.00 0.00 H new ATOM 0 HB3 HIS A 110 5.925 11.723 -2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 110 7.959 14.341 -4.607 1.00 0.00 H new ATOM 0 HE1 HIS A 110 4.716 13.169 -7.092 1.00 0.00 H new ATOM 0 HE2 HIS A 110 6.954 14.426 -7.056 1.00 0.00 H new ATOM 1583 N SER A 111 5.969 13.839 0.759 1.00 0.00 N ATOM 1584 CA SER A 111 6.021 13.458 2.160 1.00 0.00 C ATOM 1585 C SER A 111 4.858 12.513 2.457 1.00 0.00 C ATOM 1586 O SER A 111 3.724 12.953 2.636 1.00 0.00 O ATOM 1587 CB SER A 111 5.935 14.716 3.040 1.00 0.00 C ATOM 1588 OG SER A 111 5.504 14.405 4.352 1.00 0.00 O ATOM 0 H SER A 111 5.813 14.840 0.642 1.00 0.00 H new ATOM 0 HA SER A 111 6.960 12.950 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.911 15.199 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.245 15.430 2.589 1.00 0.00 H new ATOM 0 HG SER A 111 5.461 15.226 4.886 1.00 0.00 H new ATOM 1594 N ILE A 112 5.155 11.224 2.586 1.00 0.00 N ATOM 1595 CA ILE A 112 4.217 10.225 3.069 1.00 0.00 C ATOM 1596 C ILE A 112 3.780 10.503 4.510 1.00 0.00 C ATOM 1597 O ILE A 112 2.718 10.052 4.926 1.00 0.00 O ATOM 1598 CB ILE A 112 4.829 8.821 2.932 1.00 0.00 C ATOM 1599 CG1 ILE A 112 6.060 8.644 3.841 1.00 0.00 C ATOM 1600 CG2 ILE A 112 5.165 8.558 1.459 1.00 0.00 C ATOM 1601 CD1 ILE A 112 6.629 7.232 3.776 1.00 0.00 C ATOM 0 H ILE A 112 6.071 10.841 2.353 1.00 0.00 H new ATOM 0 HA ILE A 112 3.319 10.277 2.454 1.00 0.00 H new ATOM 0 HB ILE A 112 4.099 8.083 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.830 9.358 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.785 8.876 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.599 7.563 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.255 8.620 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.880 9.304 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.495 7.158 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.869 6.518 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.931 7.008 2.753 1.00 0.00 H new ATOM 1613 N ILE A 113 4.588 11.228 5.288 1.00 0.00 N ATOM 1614 CA ILE A 113 4.224 11.616 6.636 1.00 0.00 C ATOM 1615 C ILE A 113 2.979 12.480 6.514 1.00 0.00 C ATOM 1616 O ILE A 113 3.006 13.523 5.861 1.00 0.00 O ATOM 1617 CB ILE A 113 5.389 12.353 7.325 1.00 0.00 C ATOM 1618 CG1 ILE A 113 6.570 11.411 7.602 1.00 0.00 C ATOM 1619 CG2 ILE A 113 4.942 13.048 8.621 1.00 0.00 C ATOM 1620 CD1 ILE A 113 6.235 10.260 8.557 1.00 0.00 C ATOM 0 H ILE A 113 5.508 11.557 4.994 1.00 0.00 H new ATOM 0 HA ILE A 113 4.015 10.749 7.263 1.00 0.00 H new ATOM 0 HB ILE A 113 5.724 13.123 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.920 10.996 6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.393 11.990 8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.794 13.555 9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.165 13.777 8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.550 12.305 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.119 9.639 8.703 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.914 10.665 9.517 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.434 9.656 8.132 1.00 0.00 H new ATOM 1632 N GLY A 114 1.884 12.000 7.099 1.00 0.00 N ATOM 1633 CA GLY A 114 0.594 12.643 7.002 1.00 0.00 C ATOM 1634 C GLY A 114 -0.191 12.224 5.758 1.00 0.00 C ATOM 1635 O GLY A 114 -1.102 12.932 5.339 1.00 0.00 O ATOM 0 H GLY A 114 1.877 11.146 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.009 12.407 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.733 13.724 6.990 1.00 0.00 H new ATOM 1639 N ARG A 115 0.130 11.070 5.162 1.00 0.00 N ATOM 1640 CA ARG A 115 -0.742 10.412 4.198 1.00 0.00 C ATOM 1641 C ARG A 115 -1.468 9.238 4.857 1.00 0.00 C ATOM 1642 O ARG A 115 -1.102 8.821 5.955 1.00 0.00 O ATOM 1643 CB ARG A 115 0.057 9.961 2.973 1.00 0.00 C ATOM 1644 CG ARG A 115 0.385 11.134 2.045 1.00 0.00 C ATOM 1645 CD ARG A 115 -0.822 11.447 1.147 1.00 0.00 C ATOM 1646 NE ARG A 115 -0.728 12.790 0.560 1.00 0.00 N ATOM 1647 CZ ARG A 115 -1.109 13.928 1.170 1.00 0.00 C ATOM 1648 NH1 ARG A 115 -1.563 13.916 2.432 1.00 0.00 N ATOM 1649 NH2 ARG A 115 -1.001 15.083 0.507 1.00 0.00 N ATOM 0 H ARG A 115 1.002 10.571 5.338 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.495 11.123 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.982 9.485 3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.512 9.211 2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.648 12.012 2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.252 10.891 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.885 10.705 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.740 11.368 1.730 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.345 12.866 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.623 13.036 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.848 14.787 2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -0.635 15.092 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.285 15.955 0.953 1.00 0.00 H new ATOM 1663 N THR A 116 -2.490 8.703 4.181 1.00 0.00 N ATOM 1664 CA THR A 116 -3.297 7.586 4.631 1.00 0.00 C ATOM 1665 C THR A 116 -3.014 6.362 3.766 1.00 0.00 C ATOM 1666 O THR A 116 -3.258 6.384 2.561 1.00 0.00 O ATOM 1667 CB THR A 116 -4.775 7.964 4.587 1.00 0.00 C ATOM 1668 OG1 THR A 116 -4.952 9.145 5.326 1.00 0.00 O ATOM 1669 CG2 THR A 116 -5.676 6.903 5.221 1.00 0.00 C ATOM 0 H THR A 116 -2.782 9.057 3.270 1.00 0.00 H new ATOM 0 HA THR A 116 -3.040 7.341 5.661 1.00 0.00 H new ATOM 0 HB THR A 116 -5.049 8.073 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.897 9.404 5.307 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.715 7.225 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.557 5.959 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.398 6.767 6.266 1.00 0.00 H new ATOM 1677 N LEU A 117 -2.519 5.290 4.380 1.00 0.00 N ATOM 1678 CA LEU A 117 -2.234 4.024 3.732 1.00 0.00 C ATOM 1679 C LEU A 117 -3.401 3.078 4.004 1.00 0.00 C ATOM 1680 O LEU A 117 -3.824 2.947 5.154 1.00 0.00 O ATOM 1681 CB LEU A 117 -0.909 3.475 4.279 1.00 0.00 C ATOM 1682 CG LEU A 117 0.035 3.053 3.149 1.00 0.00 C ATOM 1683 CD1 LEU A 117 1.418 2.746 3.721 1.00 0.00 C ATOM 1684 CD2 LEU A 117 -0.490 1.812 2.429 1.00 0.00 C ATOM 0 H LEU A 117 -2.300 5.285 5.376 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.127 4.139 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.426 4.235 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.108 2.621 4.926 1.00 0.00 H new ATOM 0 HG LEU A 117 0.096 3.875 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.087 2.446 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.815 3.636 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.340 1.937 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.200 1.535 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.575 0.989 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.470 2.026 2.003 1.00 0.00 H new ATOM 1696 N VAL A 118 -3.958 2.452 2.965 1.00 0.00 N ATOM 1697 CA VAL A 118 -5.149 1.622 3.101 1.00 0.00 C ATOM 1698 C VAL A 118 -4.951 0.318 2.318 1.00 0.00 C ATOM 1699 O VAL A 118 -4.398 0.344 1.214 1.00 0.00 O ATOM 1700 CB VAL A 118 -6.388 2.415 2.640 1.00 0.00 C ATOM 1701 CG1 VAL A 118 -7.677 1.741 3.108 1.00 0.00 C ATOM 1702 CG2 VAL A 118 -6.419 3.848 3.191 1.00 0.00 C ATOM 0 H VAL A 118 -3.596 2.508 2.013 1.00 0.00 H new ATOM 0 HA VAL A 118 -5.313 1.352 4.144 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.320 2.440 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.535 2.322 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.733 0.735 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.684 1.685 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -7.314 4.356 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.430 3.819 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.535 4.387 2.852 1.00 0.00 H new ATOM 1712 N VAL A 119 -5.389 -0.810 2.900 1.00 0.00 N ATOM 1713 CA VAL A 119 -5.394 -2.119 2.259 1.00 0.00 C ATOM 1714 C VAL A 119 -6.808 -2.414 1.762 1.00 0.00 C ATOM 1715 O VAL A 119 -7.785 -1.983 2.374 1.00 0.00 O ATOM 1716 CB VAL A 119 -4.883 -3.211 3.214 1.00 0.00 C ATOM 1717 CG1 VAL A 119 -5.836 -3.486 4.374 1.00 0.00 C ATOM 1718 CG2 VAL A 119 -4.685 -4.543 2.488 1.00 0.00 C ATOM 0 H VAL A 119 -5.756 -0.829 3.851 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.712 -2.113 1.409 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.939 -2.822 3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.418 -4.266 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.972 -2.575 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.799 -3.814 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.323 -5.291 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.634 -4.872 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.956 -4.416 1.688 1.00 0.00 H new ATOM 1728 N HIS A 120 -6.917 -3.166 0.669 1.00 0.00 N ATOM 1729 CA HIS A 120 -8.176 -3.520 0.025 1.00 0.00 C ATOM 1730 C HIS A 120 -8.455 -4.998 0.193 1.00 0.00 C ATOM 1731 O HIS A 120 -7.525 -5.769 0.403 1.00 0.00 O ATOM 1732 CB HIS A 120 -8.116 -3.176 -1.458 1.00 0.00 C ATOM 1733 CG HIS A 120 -8.114 -1.703 -1.660 1.00 0.00 C ATOM 1734 ND1 HIS A 120 -9.198 -0.887 -1.828 1.00 0.00 N ATOM 1735 CD2 HIS A 120 -6.975 -0.978 -1.576 1.00 0.00 C ATOM 1736 CE1 HIS A 120 -8.736 0.368 -1.883 1.00 0.00 C ATOM 1737 NE2 HIS A 120 -7.393 0.337 -1.730 1.00 0.00 N ATOM 0 H HIS A 120 -6.104 -3.557 0.193 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.979 -2.952 0.495 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.219 -3.609 -1.900 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.970 -3.617 -1.973 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -10.173 -1.179 -1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.969 -1.340 -1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -9.335 1.255 -2.026 1.00 0.00 H new ATOM 1745 N GLU A 121 -9.727 -5.389 0.099 1.00 0.00 N ATOM 1746 CA GLU A 121 -10.134 -6.781 0.148 1.00 0.00 C ATOM 1747 C GLU A 121 -9.539 -7.517 -1.052 1.00 0.00 C ATOM 1748 O GLU A 121 -8.671 -8.367 -0.902 1.00 0.00 O ATOM 1749 CB GLU A 121 -11.669 -6.878 0.193 1.00 0.00 C ATOM 1750 CG GLU A 121 -12.147 -8.237 0.726 1.00 0.00 C ATOM 1751 CD GLU A 121 -11.956 -9.362 -0.279 1.00 0.00 C ATOM 1752 OE1 GLU A 121 -12.735 -9.389 -1.260 1.00 0.00 O ATOM 1753 OE2 GLU A 121 -11.017 -10.154 -0.052 1.00 0.00 O ATOM 0 H GLU A 121 -10.504 -4.738 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 121 -9.758 -7.257 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.064 -6.082 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.071 -6.720 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -11.603 -8.476 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -13.202 -8.168 0.992 1.00 0.00 H new ATOM 1760 N LYS A 122 -9.965 -7.178 -2.263 1.00 0.00 N ATOM 1761 CA LYS A 122 -9.455 -7.884 -3.424 1.00 0.00 C ATOM 1762 C LYS A 122 -8.037 -7.412 -3.761 1.00 0.00 C ATOM 1763 O LYS A 122 -7.524 -6.425 -3.222 1.00 0.00 O ATOM 1764 CB LYS A 122 -10.418 -7.735 -4.609 1.00 0.00 C ATOM 1765 CG LYS A 122 -11.801 -8.335 -4.328 1.00 0.00 C ATOM 1766 CD LYS A 122 -11.754 -9.873 -4.347 1.00 0.00 C ATOM 1767 CE LYS A 122 -12.874 -10.459 -5.214 1.00 0.00 C ATOM 1768 NZ LYS A 122 -14.208 -10.115 -4.683 1.00 0.00 N ATOM 0 H LYS A 122 -10.642 -6.441 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.391 -8.948 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -10.528 -6.678 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -9.987 -8.220 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.159 -7.991 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.512 -7.981 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.787 -10.204 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -11.843 -10.253 -3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -12.780 -10.085 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.769 -11.543 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -14.940 -10.583 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -14.282 -10.434 -3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.343 -9.085 -4.724 1.00 0.00 H new ATOM 1782 N ALA A 123 -7.414 -8.140 -4.687 1.00 0.00 N ATOM 1783 CA ALA A 123 -6.198 -7.725 -5.355 1.00 0.00 C ATOM 1784 C ALA A 123 -6.512 -6.473 -6.159 1.00 0.00 C ATOM 1785 O ALA A 123 -7.651 -6.299 -6.588 1.00 0.00 O ATOM 1786 CB ALA A 123 -5.773 -8.834 -6.318 1.00 0.00 C ATOM 0 H ALA A 123 -7.753 -9.051 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.404 -7.530 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.858 -8.539 -6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -5.596 -9.753 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.562 -9.001 -7.051 1.00 0.00 H new ATOM 1792 N ASP A 124 -5.520 -5.622 -6.402 1.00 0.00 N ATOM 1793 CA ASP A 124 -5.678 -4.606 -7.425 1.00 0.00 C ATOM 1794 C ASP A 124 -5.466 -5.207 -8.821 1.00 0.00 C ATOM 1795 O ASP A 124 -4.565 -6.008 -9.046 1.00 0.00 O ATOM 1796 CB ASP A 124 -4.840 -3.346 -7.188 1.00 0.00 C ATOM 1797 CG ASP A 124 -3.483 -3.495 -6.552 1.00 0.00 C ATOM 1798 OD1 ASP A 124 -2.916 -4.603 -6.573 1.00 0.00 O ATOM 1799 OD2 ASP A 124 -3.043 -2.435 -6.066 1.00 0.00 O ATOM 0 H ASP A 124 -4.623 -5.617 -5.917 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.708 -4.256 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.703 -2.853 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -5.426 -2.670 -6.565 1.00 0.00 H new ATOM 1804 N ASP A 125 -6.296 -4.769 -9.767 1.00 0.00 N ATOM 1805 CA ASP A 125 -6.229 -5.056 -11.194 1.00 0.00 C ATOM 1806 C ASP A 125 -5.047 -4.363 -11.866 1.00 0.00 C ATOM 1807 O ASP A 125 -4.792 -4.622 -13.035 1.00 0.00 O ATOM 1808 CB ASP A 125 -7.524 -4.585 -11.884 1.00 0.00 C ATOM 1809 CG ASP A 125 -8.644 -5.615 -11.923 1.00 0.00 C ATOM 1810 OD1 ASP A 125 -9.023 -6.114 -10.843 1.00 0.00 O ATOM 1811 OD2 ASP A 125 -9.139 -5.851 -13.046 1.00 0.00 O ATOM 0 H ASP A 125 -7.085 -4.164 -9.538 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.103 -6.134 -11.297 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.888 -3.694 -11.371 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.287 -4.290 -12.906 1.00 0.00 H new ATOM 1816 N LEU A 126 -4.382 -3.410 -11.207 1.00 0.00 N ATOM 1817 CA LEU A 126 -3.408 -2.530 -11.848 1.00 0.00 C ATOM 1818 C LEU A 126 -3.940 -1.996 -13.185 1.00 0.00 C ATOM 1819 O LEU A 126 -3.259 -2.005 -14.207 1.00 0.00 O ATOM 1820 CB LEU A 126 -2.044 -3.216 -12.028 1.00 0.00 C ATOM 1821 CG LEU A 126 -1.279 -3.574 -10.743 1.00 0.00 C ATOM 1822 CD1 LEU A 126 -1.576 -2.668 -9.544 1.00 0.00 C ATOM 1823 CD2 LEU A 126 -1.468 -5.030 -10.338 1.00 0.00 C ATOM 0 H LEU A 126 -4.506 -3.229 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.255 -1.681 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.196 -4.131 -12.600 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.412 -2.564 -12.631 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.237 -3.406 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.991 -2.998 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.311 -1.640 -9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.637 -2.721 -9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.907 -5.229 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.526 -5.225 -10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.106 -5.679 -11.135 1.00 0.00 H new ATOM 1835 N GLY A 127 -5.191 -1.543 -13.174 1.00 0.00 N ATOM 1836 CA GLY A 127 -5.819 -0.917 -14.328 1.00 0.00 C ATOM 1837 C GLY A 127 -6.359 -1.918 -15.352 1.00 0.00 C ATOM 1838 O GLY A 127 -7.171 -1.528 -16.193 1.00 0.00 O ATOM 0 H GLY A 127 -5.799 -1.602 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -6.637 -0.283 -13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.094 -0.266 -14.817 1.00 0.00 H new ATOM 1842 N LYS A 128 -5.967 -3.196 -15.277 1.00 0.00 N ATOM 1843 CA LYS A 128 -6.267 -4.201 -16.294 1.00 0.00 C ATOM 1844 C LYS A 128 -7.773 -4.293 -16.585 1.00 0.00 C ATOM 1845 O LYS A 128 -8.156 -4.571 -17.719 1.00 0.00 O ATOM 1846 CB LYS A 128 -5.716 -5.573 -15.871 1.00 0.00 C ATOM 1847 CG LYS A 128 -4.204 -5.594 -15.568 1.00 0.00 C ATOM 1848 CD LYS A 128 -3.305 -6.124 -16.688 1.00 0.00 C ATOM 1849 CE LYS A 128 -1.871 -6.180 -16.126 1.00 0.00 C ATOM 1850 NZ LYS A 128 -0.902 -6.765 -17.071 1.00 0.00 N ATOM 0 H LYS A 128 -5.425 -3.562 -14.495 1.00 0.00 H new ATOM 0 HA LYS A 128 -5.776 -3.890 -17.216 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -6.255 -5.909 -14.985 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -5.924 -6.293 -16.663 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -3.888 -4.580 -15.324 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -4.040 -6.202 -14.678 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -3.632 -7.113 -17.010 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -3.352 -5.473 -17.561 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -1.550 -5.172 -15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.870 -6.764 -15.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 0.043 -6.776 -16.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -1.187 -7.738 -17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.877 -6.195 -17.940 1.00 0.00 H new ATOM 1864 N GLY A 129 -8.627 -4.038 -15.585 1.00 0.00 N ATOM 1865 CA GLY A 129 -10.072 -4.074 -15.730 1.00 0.00 C ATOM 1866 C GLY A 129 -10.597 -3.117 -16.805 1.00 0.00 C ATOM 1867 O GLY A 129 -11.673 -3.349 -17.350 1.00 0.00 O ATOM 0 H GLY A 129 -8.320 -3.798 -14.642 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -10.380 -5.090 -15.976 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.533 -3.824 -14.774 1.00 0.00 H new ATOM 1871 N GLY A 130 -9.867 -2.039 -17.117 1.00 0.00 N ATOM 1872 CA GLY A 130 -10.223 -1.164 -18.228 1.00 0.00 C ATOM 1873 C GLY A 130 -11.565 -0.464 -18.011 1.00 0.00 C ATOM 1874 O GLY A 130 -12.401 -0.407 -18.910 1.00 0.00 O ATOM 0 H GLY A 130 -9.027 -1.756 -16.612 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -9.443 -0.415 -18.361 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.265 -1.748 -19.148 1.00 0.00 H new ATOM 1878 N ASN A 131 -11.752 0.119 -16.826 1.00 0.00 N ATOM 1879 CA ASN A 131 -12.876 0.986 -16.492 1.00 0.00 C ATOM 1880 C ASN A 131 -12.399 1.983 -15.459 1.00 0.00 C ATOM 1881 O ASN A 131 -11.463 1.640 -14.743 1.00 0.00 O ATOM 1882 CB ASN A 131 -14.132 0.219 -16.055 1.00 0.00 C ATOM 1883 CG ASN A 131 -13.824 -0.841 -15.015 1.00 0.00 C ATOM 1884 OD1 ASN A 131 -12.962 -0.525 -14.059 1.00 0.00 O flip ATOM 1885 ND2 ASN A 131 -14.301 -1.965 -15.092 1.00 0.00 N flip ATOM 0 H ASN A 131 -11.103 -0.005 -16.049 1.00 0.00 H new ATOM 0 HA ASN A 131 -13.201 1.514 -17.388 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.862 0.921 -15.651 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -14.590 -0.251 -16.925 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.963 -2.188 -15.835 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.037 -2.679 -14.413 1.00 0.00 H new ATOM 1892 N GLU A 132 -13.026 3.154 -15.311 1.00 0.00 N ATOM 1893 CA GLU A 132 -12.593 4.126 -14.315 1.00 0.00 C ATOM 1894 C GLU A 132 -12.270 3.480 -12.975 1.00 0.00 C ATOM 1895 O GLU A 132 -11.211 3.753 -12.430 1.00 0.00 O ATOM 1896 CB GLU A 132 -13.637 5.218 -14.094 1.00 0.00 C ATOM 1897 CG GLU A 132 -13.751 6.187 -15.268 1.00 0.00 C ATOM 1898 CD GLU A 132 -14.623 7.358 -14.842 1.00 0.00 C ATOM 1899 OE1 GLU A 132 -15.836 7.117 -14.669 1.00 0.00 O ATOM 1900 OE2 GLU A 132 -14.044 8.442 -14.623 1.00 0.00 O ATOM 0 H GLU A 132 -13.830 3.446 -15.867 1.00 0.00 H new ATOM 0 HA GLU A 132 -11.684 4.571 -14.719 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -14.608 4.754 -13.919 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -13.384 5.777 -13.193 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -12.763 6.539 -15.567 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -14.186 5.685 -16.133 1.00 0.00 H new ATOM 1907 N GLN A 133 -13.154 2.620 -12.460 1.00 0.00 N ATOM 1908 CA GLN A 133 -12.966 2.017 -11.151 1.00 0.00 C ATOM 1909 C GLN A 133 -11.584 1.358 -11.039 1.00 0.00 C ATOM 1910 O GLN A 133 -10.717 1.889 -10.368 1.00 0.00 O ATOM 1911 CB GLN A 133 -14.136 1.081 -10.794 1.00 0.00 C ATOM 1912 CG GLN A 133 -14.746 1.482 -9.443 1.00 0.00 C ATOM 1913 CD GLN A 133 -13.692 1.601 -8.354 1.00 0.00 C ATOM 1914 OE1 GLN A 133 -13.519 2.659 -7.751 1.00 0.00 O ATOM 1915 NE2 GLN A 133 -12.930 0.536 -8.171 1.00 0.00 N ATOM 0 H GLN A 133 -14.007 2.329 -12.937 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.980 2.804 -10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.898 1.126 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -13.786 0.050 -10.751 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.267 2.434 -9.549 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -15.490 0.742 -9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -13.114 -0.319 -8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -12.158 0.570 -7.505 1.00 0.00 H new ATOM 1924 N SER A 134 -11.349 0.241 -11.723 1.00 0.00 N ATOM 1925 CA SER A 134 -10.045 -0.383 -11.938 1.00 0.00 C ATOM 1926 C SER A 134 -8.963 0.653 -12.214 1.00 0.00 C ATOM 1927 O SER A 134 -7.962 0.712 -11.511 1.00 0.00 O ATOM 1928 CB SER A 134 -10.095 -1.422 -13.069 1.00 0.00 C ATOM 1929 OG SER A 134 -8.829 -2.013 -13.260 1.00 0.00 O ATOM 0 H SER A 134 -12.104 -0.282 -12.167 1.00 0.00 H new ATOM 0 HA SER A 134 -9.788 -0.900 -11.014 1.00 0.00 H new ATOM 0 HB2 SER A 134 -10.829 -2.192 -12.830 1.00 0.00 H new ATOM 0 HB3 SER A 134 -10.422 -0.945 -13.993 1.00 0.00 H new ATOM 0 HG SER A 134 -8.283 -1.884 -12.457 1.00 0.00 H new ATOM 1935 N THR A 135 -9.164 1.486 -13.224 1.00 0.00 N ATOM 1936 CA THR A 135 -8.163 2.404 -13.730 1.00 0.00 C ATOM 1937 C THR A 135 -7.938 3.582 -12.763 1.00 0.00 C ATOM 1938 O THR A 135 -7.083 4.429 -13.008 1.00 0.00 O ATOM 1939 CB THR A 135 -8.577 2.761 -15.167 1.00 0.00 C ATOM 1940 OG1 THR A 135 -8.891 1.553 -15.842 1.00 0.00 O ATOM 1941 CG2 THR A 135 -7.478 3.455 -15.965 1.00 0.00 C ATOM 0 H THR A 135 -10.051 1.541 -13.725 1.00 0.00 H new ATOM 0 HA THR A 135 -7.169 1.960 -13.781 1.00 0.00 H new ATOM 0 HB THR A 135 -9.419 3.450 -15.097 1.00 0.00 H new ATOM 0 HG1 THR A 135 -9.833 1.328 -15.689 1.00 0.00 H new ATOM 0 HG21 THR A 135 -7.842 3.676 -16.968 1.00 0.00 H new ATOM 0 HG22 THR A 135 -7.198 4.383 -15.467 1.00 0.00 H new ATOM 0 HG23 THR A 135 -6.608 2.802 -16.030 1.00 0.00 H new ATOM 1949 N LYS A 136 -8.637 3.592 -11.622 1.00 0.00 N ATOM 1950 CA LYS A 136 -8.470 4.498 -10.503 1.00 0.00 C ATOM 1951 C LYS A 136 -8.095 3.730 -9.230 1.00 0.00 C ATOM 1952 O LYS A 136 -7.451 4.326 -8.366 1.00 0.00 O ATOM 1953 CB LYS A 136 -9.802 5.227 -10.321 1.00 0.00 C ATOM 1954 CG LYS A 136 -9.831 6.252 -9.186 1.00 0.00 C ATOM 1955 CD LYS A 136 -11.201 6.947 -9.135 1.00 0.00 C ATOM 1956 CE LYS A 136 -12.354 5.976 -8.803 1.00 0.00 C ATOM 1957 NZ LYS A 136 -13.657 6.668 -8.746 1.00 0.00 N ATOM 0 H LYS A 136 -9.383 2.917 -11.455 1.00 0.00 H new ATOM 0 HA LYS A 136 -7.663 5.205 -10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.052 5.733 -11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -10.582 4.487 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.629 5.759 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.045 6.992 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.173 7.740 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -11.398 7.422 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.394 5.189 -9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -12.157 5.493 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -14.405 5.982 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -13.628 7.403 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -13.857 7.108 -9.667 1.00 0.00 H new ATOM 1971 N THR A 137 -8.500 2.458 -9.067 1.00 0.00 N ATOM 1972 CA THR A 137 -8.287 1.764 -7.784 1.00 0.00 C ATOM 1973 C THR A 137 -7.694 0.366 -7.920 1.00 0.00 C ATOM 1974 O THR A 137 -7.051 -0.134 -6.998 1.00 0.00 O ATOM 1975 CB THR A 137 -9.556 1.706 -6.917 1.00 0.00 C ATOM 1976 OG1 THR A 137 -10.359 0.592 -7.248 1.00 0.00 O ATOM 1977 CG2 THR A 137 -10.391 2.987 -6.972 1.00 0.00 C ATOM 0 H THR A 137 -8.964 1.902 -9.785 1.00 0.00 H new ATOM 0 HA THR A 137 -7.545 2.382 -7.278 1.00 0.00 H new ATOM 0 HB THR A 137 -9.201 1.600 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 137 -10.593 0.103 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 137 -11.270 2.876 -6.338 1.00 0.00 H new ATOM 0 HG22 THR A 137 -9.793 3.827 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 137 -10.706 3.172 -7.999 1.00 0.00 H new ATOM 1985 N GLY A 138 -7.986 -0.297 -9.032 1.00 0.00 N ATOM 1986 CA GLY A 138 -7.657 -1.676 -9.288 1.00 0.00 C ATOM 1987 C GLY A 138 -8.853 -2.550 -8.967 1.00 0.00 C ATOM 1988 O GLY A 138 -8.670 -3.740 -8.772 1.00 0.00 O ATOM 0 H GLY A 138 -8.481 0.140 -9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.369 -1.804 -10.331 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.802 -1.975 -8.682 1.00 0.00 H new ATOM 1992 N ASN A 139 -10.067 -1.991 -8.852 1.00 0.00 N ATOM 1993 CA ASN A 139 -11.245 -2.802 -8.582 1.00 0.00 C ATOM 1994 C ASN A 139 -11.053 -3.643 -7.310 1.00 0.00 C ATOM 1995 O ASN A 139 -11.706 -4.661 -7.103 1.00 0.00 O ATOM 1996 CB ASN A 139 -11.577 -3.650 -9.819 1.00 0.00 C ATOM 1997 CG ASN A 139 -12.867 -4.445 -9.663 1.00 0.00 C ATOM 1998 OD1 ASN A 139 -13.877 -3.908 -9.216 1.00 0.00 O ATOM 1999 ND2 ASN A 139 -12.847 -5.716 -10.050 1.00 0.00 N ATOM 0 H ASN A 139 -10.249 -0.991 -8.942 1.00 0.00 H new ATOM 0 HA ASN A 139 -12.101 -2.156 -8.387 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -11.661 -2.998 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -10.754 -4.337 -10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -13.692 -6.283 -9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -11.987 -6.124 -10.416 1.00 0.00 H new ATOM 2006 N ALA A 140 -10.168 -3.178 -6.421 1.00 0.00 N ATOM 2007 CA ALA A 140 -9.714 -3.943 -5.276 1.00 0.00 C ATOM 2008 C ALA A 140 -10.804 -4.040 -4.205 1.00 0.00 C ATOM 2009 O ALA A 140 -10.634 -4.701 -3.184 1.00 0.00 O ATOM 2010 CB ALA A 140 -8.418 -3.319 -4.757 1.00 0.00 C ATOM 0 H ALA A 140 -9.749 -2.250 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 140 -9.505 -4.972 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -8.062 -3.883 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -7.663 -3.343 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.604 -2.286 -4.463 1.00 0.00 H new ATOM 2016 N GLY A 141 -11.946 -3.391 -4.427 1.00 0.00 N ATOM 2017 CA GLY A 141 -13.070 -3.498 -3.532 1.00 0.00 C ATOM 2018 C GLY A 141 -12.795 -2.772 -2.221 1.00 0.00 C ATOM 2019 O GLY A 141 -11.917 -1.902 -2.123 1.00 0.00 O ATOM 0 H GLY A 141 -12.106 -2.783 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -13.958 -3.078 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.282 -4.548 -3.333 1.00 0.00 H new ATOM 2023 N SER A 142 -13.609 -3.123 -1.227 1.00 0.00 N ATOM 2024 CA SER A 142 -13.681 -2.409 0.030 1.00 0.00 C ATOM 2025 C SER A 142 -12.341 -2.431 0.765 1.00 0.00 C ATOM 2026 O SER A 142 -11.504 -3.309 0.555 1.00 0.00 O ATOM 2027 CB SER A 142 -14.824 -2.976 0.874 1.00 0.00 C ATOM 2028 OG SER A 142 -14.525 -4.279 1.332 1.00 0.00 O ATOM 0 H SER A 142 -14.241 -3.922 -1.280 1.00 0.00 H new ATOM 0 HA SER A 142 -13.895 -1.358 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.009 -2.322 1.726 1.00 0.00 H new ATOM 0 HB3 SER A 142 -15.740 -2.997 0.283 1.00 0.00 H new ATOM 0 HG SER A 142 -15.272 -4.616 1.870 1.00 0.00 H new ATOM 2034 N ARG A 143 -12.140 -1.418 1.602 1.00 0.00 N ATOM 2035 CA ARG A 143 -10.909 -1.181 2.325 1.00 0.00 C ATOM 2036 C ARG A 143 -10.953 -1.920 3.664 1.00 0.00 C ATOM 2037 O ARG A 143 -11.521 -1.404 4.621 1.00 0.00 O ATOM 2038 CB ARG A 143 -10.751 0.336 2.475 1.00 0.00 C ATOM 2039 CG ARG A 143 -10.345 0.934 1.113 1.00 0.00 C ATOM 2040 CD ARG A 143 -10.586 2.451 1.016 1.00 0.00 C ATOM 2041 NE ARG A 143 -11.478 2.789 -0.108 1.00 0.00 N ATOM 2042 CZ ARG A 143 -11.970 4.011 -0.379 1.00 0.00 C ATOM 2043 NH1 ARG A 143 -11.688 5.046 0.419 1.00 0.00 N ATOM 2044 NH2 ARG A 143 -12.733 4.192 -1.462 1.00 0.00 N ATOM 0 H ARG A 143 -12.858 -0.720 1.798 1.00 0.00 H new ATOM 0 HA ARG A 143 -10.038 -1.566 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -11.686 0.780 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -9.995 0.564 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -9.289 0.729 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -10.905 0.433 0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -11.022 2.811 1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -9.632 2.964 0.891 1.00 0.00 H new ATOM 0 HE ARG A 143 -11.745 2.030 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.096 4.911 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -12.064 5.970 0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -12.939 3.405 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -13.109 5.117 -1.672 1.00 0.00 H new ATOM 2058 N LEU A 144 -10.375 -3.127 3.725 1.00 0.00 N ATOM 2059 CA LEU A 144 -10.374 -3.953 4.932 1.00 0.00 C ATOM 2060 C LEU A 144 -9.778 -3.186 6.119 1.00 0.00 C ATOM 2061 O LEU A 144 -10.365 -3.196 7.197 1.00 0.00 O ATOM 2062 CB LEU A 144 -9.632 -5.293 4.701 1.00 0.00 C ATOM 2063 CG LEU A 144 -10.445 -6.507 4.182 1.00 0.00 C ATOM 2064 CD1 LEU A 144 -10.691 -7.517 5.309 1.00 0.00 C ATOM 2065 CD2 LEU A 144 -11.819 -6.121 3.615 1.00 0.00 C ATOM 0 H LEU A 144 -9.894 -3.556 2.934 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.410 -4.192 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -8.824 -5.107 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.169 -5.583 5.644 1.00 0.00 H new ATOM 0 HG LEU A 144 -9.840 -6.935 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -11.263 -8.361 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.735 -7.872 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -11.250 -7.037 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -12.335 -7.017 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -12.411 -5.638 4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -11.688 -5.433 2.780 1.00 0.00 H new ATOM 2077 N ALA A 145 -8.619 -2.543 5.939 1.00 0.00 N ATOM 2078 CA ALA A 145 -7.978 -1.743 6.981 1.00 0.00 C ATOM 2079 C ALA A 145 -7.356 -0.470 6.411 1.00 0.00 C ATOM 2080 O ALA A 145 -7.041 -0.396 5.223 1.00 0.00 O ATOM 2081 CB ALA A 145 -6.927 -2.570 7.719 1.00 0.00 C ATOM 0 H ALA A 145 -8.099 -2.565 5.062 1.00 0.00 H new ATOM 0 HA ALA A 145 -8.750 -1.443 7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.460 -1.959 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.403 -3.436 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -6.167 -2.906 7.013 1.00 0.00 H new ATOM 2087 N CYS A 146 -7.193 0.526 7.282 1.00 0.00 N ATOM 2088 CA CYS A 146 -6.921 1.919 6.982 1.00 0.00 C ATOM 2089 C CYS A 146 -5.961 2.410 8.066 1.00 0.00 C ATOM 2090 O CYS A 146 -6.159 2.082 9.232 1.00 0.00 O ATOM 2091 CB CYS A 146 -8.242 2.718 7.044 1.00 0.00 C ATOM 2092 SG CYS A 146 -9.804 1.809 6.822 1.00 0.00 S ATOM 0 H CYS A 146 -7.253 0.361 8.287 1.00 0.00 H new ATOM 0 HA CYS A 146 -6.490 2.046 5.989 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -8.283 3.221 8.010 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -8.197 3.496 6.282 1.00 0.00 H new ATOM 0 HG CYS A 146 -10.803 2.636 6.907 1.00 0.00 H new ATOM 2097 N GLY A 147 -4.910 3.154 7.722 1.00 0.00 N ATOM 2098 CA GLY A 147 -3.976 3.683 8.708 1.00 0.00 C ATOM 2099 C GLY A 147 -3.380 4.998 8.228 1.00 0.00 C ATOM 2100 O GLY A 147 -3.251 5.210 7.025 1.00 0.00 O ATOM 0 H GLY A 147 -4.686 3.404 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -4.489 3.835 9.658 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.180 2.960 8.887 1.00 0.00 H new ATOM 2104 N VAL A 148 -3.005 5.875 9.161 1.00 0.00 N ATOM 2105 CA VAL A 148 -2.298 7.112 8.860 1.00 0.00 C ATOM 2106 C VAL A 148 -0.796 6.859 9.011 1.00 0.00 C ATOM 2107 O VAL A 148 -0.385 6.115 9.901 1.00 0.00 O ATOM 2108 CB VAL A 148 -2.831 8.261 9.736 1.00 0.00 C ATOM 2109 CG1 VAL A 148 -2.573 8.050 11.234 1.00 0.00 C ATOM 2110 CG2 VAL A 148 -2.251 9.607 9.285 1.00 0.00 C ATOM 0 H VAL A 148 -3.187 5.741 10.156 1.00 0.00 H new ATOM 0 HA VAL A 148 -2.474 7.428 7.832 1.00 0.00 H new ATOM 0 HB VAL A 148 -3.912 8.268 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.973 8.895 11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -3.062 7.133 11.562 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -1.500 7.972 11.411 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -2.642 10.403 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -1.164 9.580 9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -2.533 9.796 8.249 1.00 0.00 H new ATOM 2120 N ILE A 149 0.014 7.439 8.125 1.00 0.00 N ATOM 2121 CA ILE A 149 1.462 7.295 8.111 1.00 0.00 C ATOM 2122 C ILE A 149 2.060 8.417 8.964 1.00 0.00 C ATOM 2123 O ILE A 149 1.807 9.593 8.687 1.00 0.00 O ATOM 2124 CB ILE A 149 1.976 7.368 6.662 1.00 0.00 C ATOM 2125 CG1 ILE A 149 1.247 6.393 5.716 1.00 0.00 C ATOM 2126 CG2 ILE A 149 3.496 7.141 6.635 1.00 0.00 C ATOM 2127 CD1 ILE A 149 1.721 6.519 4.266 1.00 0.00 C ATOM 0 H ILE A 149 -0.334 8.039 7.377 1.00 0.00 H new ATOM 0 HA ILE A 149 1.759 6.330 8.522 1.00 0.00 H new ATOM 0 HB ILE A 149 1.756 8.368 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.407 5.371 6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.174 6.581 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 149 3.854 7.194 5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 149 3.989 7.909 7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.725 6.159 7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 149 1.176 5.811 3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 149 1.537 7.533 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.788 6.304 4.212 1.00 0.00 H new ATOM 2139 N GLY A 150 2.850 8.074 9.986 1.00 0.00 N ATOM 2140 CA GLY A 150 3.409 9.030 10.926 1.00 0.00 C ATOM 2141 C GLY A 150 4.796 8.588 11.383 1.00 0.00 C ATOM 2142 O GLY A 150 5.308 7.560 10.945 1.00 0.00 O ATOM 0 H GLY A 150 3.118 7.109 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.470 10.013 10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 150 2.750 9.127 11.789 1.00 0.00 H new ATOM 2146 N ILE A 151 5.406 9.382 12.262 1.00 0.00 N ATOM 2147 CA ILE A 151 6.707 9.113 12.850 1.00 0.00 C ATOM 2148 C ILE A 151 6.530 8.006 13.890 1.00 0.00 C ATOM 2149 O ILE A 151 5.534 7.987 14.612 1.00 0.00 O ATOM 2150 CB ILE A 151 7.264 10.401 13.488 1.00 0.00 C ATOM 2151 CG1 ILE A 151 7.332 11.587 12.505 1.00 0.00 C ATOM 2152 CG2 ILE A 151 8.643 10.159 14.118 1.00 0.00 C ATOM 2153 CD1 ILE A 151 8.390 11.431 11.408 1.00 0.00 C ATOM 0 H ILE A 151 4.992 10.254 12.591 1.00 0.00 H new ATOM 0 HA ILE A 151 7.421 8.787 12.093 1.00 0.00 H new ATOM 0 HB ILE A 151 6.555 10.674 14.270 1.00 0.00 H new ATOM 0 HG12 ILE A 151 6.356 11.714 12.038 1.00 0.00 H new ATOM 0 HG13 ILE A 151 7.538 12.499 13.066 1.00 0.00 H new ATOM 0 HG21 ILE A 151 9.009 11.086 14.560 1.00 0.00 H new ATOM 0 HG22 ILE A 151 8.561 9.396 14.892 1.00 0.00 H new ATOM 0 HG23 ILE A 151 9.340 9.823 13.350 1.00 0.00 H new ATOM 0 HD11 ILE A 151 8.373 12.307 10.759 1.00 0.00 H new ATOM 0 HD12 ILE A 151 9.376 11.336 11.864 1.00 0.00 H new ATOM 0 HD13 ILE A 151 8.175 10.539 10.819 1.00 0.00 H new ATOM 2165 N ALA A 152 7.485 7.080 13.956 1.00 0.00 N ATOM 2166 CA ALA A 152 7.481 6.022 14.954 1.00 0.00 C ATOM 2167 C ALA A 152 7.931 6.546 16.307 1.00 0.00 C ATOM 2168 O ALA A 152 8.822 7.391 16.389 1.00 0.00 O ATOM 2169 CB ALA A 152 8.356 4.854 14.499 1.00 0.00 C ATOM 0 H ALA A 152 8.280 7.045 13.318 1.00 0.00 H new ATOM 0 HA ALA A 152 6.459 5.660 15.063 1.00 0.00 H new ATOM 0 HB1 ALA A 152 8.342 4.071 15.258 1.00 0.00 H new ATOM 0 HB2 ALA A 152 7.972 4.456 13.560 1.00 0.00 H new ATOM 0 HB3 ALA A 152 9.379 5.201 14.355 1.00 0.00 H new ATOM 2175 N GLN A 153 7.293 6.023 17.352 1.00 0.00 N ATOM 2176 CA GLN A 153 7.769 6.160 18.708 1.00 0.00 C ATOM 2177 C GLN A 153 8.870 5.121 18.942 1.00 0.00 C ATOM 2178 O GLN A 153 8.939 4.162 18.138 1.00 0.00 O ATOM 2179 CB GLN A 153 6.590 5.974 19.674 1.00 0.00 C ATOM 2180 CG GLN A 153 5.666 7.205 19.641 1.00 0.00 C ATOM 2181 CD GLN A 153 4.204 6.895 19.960 1.00 0.00 C ATOM 2182 OE1 GLN A 153 3.811 5.750 20.161 1.00 0.00 O ATOM 2183 NE2 GLN A 153 3.364 7.926 19.990 1.00 0.00 N ATOM 2184 OXT GLN A 153 9.623 5.305 19.923 1.00 0.00 O ATOM 0 H GLN A 153 6.427 5.491 17.271 1.00 0.00 H new ATOM 0 HA GLN A 153 8.189 7.151 18.882 1.00 0.00 H new ATOM 0 HB2 GLN A 153 6.026 5.082 19.402 1.00 0.00 H new ATOM 0 HB3 GLN A 153 6.963 5.819 20.686 1.00 0.00 H new ATOM 0 HG2 GLN A 153 6.034 7.942 20.355 1.00 0.00 H new ATOM 0 HG3 GLN A 153 5.722 7.662 18.653 1.00 0.00 H new ATOM 0 HE21 GLN A 153 3.710 8.871 19.820 1.00 0.00 H new ATOM 0 HE22 GLN A 153 2.374 7.772 20.183 1.00 0.00 H new