USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 92 HIS : no HE2:sc= 1.06 K(o=0.96,f=-5!) USER MOD Set 1.2: A 93 SER OG : rot 71:sc= -0.105 USER MOD Set 2.1: A 49 HIS : no HD1:sc= -0.191 K(o=2.6,f=0.63) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.7 K(o=2.6,f=-6!) USER MOD Set 2.3: A 70 THR OG1 : rot 85:sc= 1.1 USER MOD Set 3.1: A 21 TYR OH : rot -143:sc= 1.03 USER MOD Set 3.2: A 28 ASN : amide:sc= 0.804! C(o=1.8!,f=-4.8!) USER MOD Set 4.1: A 8 SER OG : rot -43:sc= 0.936 USER MOD Set 4.2: A 10 THR OG1 : rot 180:sc= 0.959 USER MOD Set 4.3: A 22 GLN : amide:sc= 0.0828 K(o=1.9,f=1) USER MOD Set 4.4: A 100 HIS : no HD1:sc= -0.039 K(o=1.9,f=3) USER MOD Single : A 7 THR OG1 : rot 26:sc= 0.0543 USER MOD Single : A 12 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.393 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0605 K(o=-0.061,f=-0.74) USER MOD Single : A 37 GLN : amide:sc= -1.85! C(o=-1.9!,f=-7.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.43! C(o=-2.4!,f=-8.3!) USER MOD Single : A 71 THR OG1 : rot -150:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.94 K(o=1.9,f=-9!) USER MOD Single : A 74 ASN : amide:sc= -0.0867 X(o=-0.087,f=0.34) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 81 GLN : amide:sc= -0.0439 K(o=-0.044,f=-1) USER MOD Single : A 99 MET CE :methyl 178:sc=-0.00704 (180deg=-0.0193) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.484 -8.921 2.803 1.00 20.03 N ATOM 63 CA THR A 7 -4.087 -7.630 3.217 1.00 12.43 C ATOM 64 C THR A 7 -4.216 -6.680 2.040 1.00 54.31 C ATOM 65 O THR A 7 -3.564 -6.863 1.012 1.00 64.24 O ATOM 66 CB THR A 7 -2.604 -7.649 3.695 1.00 70.21 C ATOM 67 OG1 THR A 7 -2.446 -8.562 4.802 1.00 4.22 O ATOM 68 CG2 THR A 7 -2.126 -6.256 4.103 1.00 34.13 C ATOM 0 HA THR A 7 -4.721 -7.305 4.042 1.00 12.43 H new ATOM 0 HB THR A 7 -1.994 -7.985 2.857 1.00 70.21 H new ATOM 0 HG1 THR A 7 -3.140 -9.252 4.758 1.00 4.22 H new ATOM 0 HG21 THR A 7 -1.088 -6.309 4.430 1.00 34.13 H new ATOM 0 HG22 THR A 7 -2.204 -5.581 3.251 1.00 34.13 H new ATOM 0 HG23 THR A 7 -2.745 -5.883 4.919 1.00 34.13 H new ATOM 76 N SER A 8 -5.082 -5.733 2.167 1.00 2.45 N ATOM 77 CA SER A 8 -5.181 -4.679 1.219 1.00 21.34 C ATOM 78 C SER A 8 -4.966 -3.377 1.963 1.00 21.15 C ATOM 79 O SER A 8 -5.684 -3.071 2.918 1.00 53.33 O ATOM 80 CB SER A 8 -6.521 -4.741 0.451 1.00 75.30 C ATOM 81 OG SER A 8 -7.658 -4.788 1.321 1.00 32.21 O ATOM 0 H SER A 8 -5.746 -5.669 2.938 1.00 2.45 H new ATOM 0 HA SER A 8 -4.416 -4.770 0.447 1.00 21.34 H new ATOM 0 HB2 SER A 8 -6.603 -3.870 -0.199 1.00 75.30 H new ATOM 0 HB3 SER A 8 -6.525 -5.621 -0.193 1.00 75.30 H new ATOM 0 HG SER A 8 -7.483 -5.415 2.054 1.00 32.21 H new ATOM 87 N VAL A 9 -3.950 -2.657 1.594 1.00 14.54 N ATOM 88 CA VAL A 9 -3.583 -1.478 2.313 1.00 61.41 C ATOM 89 C VAL A 9 -4.159 -0.232 1.662 1.00 40.34 C ATOM 90 O VAL A 9 -3.942 0.054 0.474 1.00 31.23 O ATOM 91 CB VAL A 9 -2.043 -1.393 2.550 1.00 13.02 C ATOM 92 CG1 VAL A 9 -1.275 -1.574 1.265 1.00 72.33 C ATOM 93 CG2 VAL A 9 -1.650 -0.091 3.235 1.00 50.34 C ATOM 0 H VAL A 9 -3.357 -2.869 0.792 1.00 14.54 H new ATOM 0 HA VAL A 9 -4.030 -1.541 3.305 1.00 61.41 H new ATOM 0 HB VAL A 9 -1.779 -2.213 3.218 1.00 13.02 H new ATOM 0 HG11 VAL A 9 -0.206 -1.509 1.468 1.00 72.33 H new ATOM 0 HG12 VAL A 9 -1.505 -2.550 0.838 1.00 72.33 H new ATOM 0 HG13 VAL A 9 -1.558 -0.794 0.559 1.00 72.33 H new ATOM 0 HG21 VAL A 9 -0.570 -0.069 3.383 1.00 50.34 H new ATOM 0 HG22 VAL A 9 -1.948 0.752 2.612 1.00 50.34 H new ATOM 0 HG23 VAL A 9 -2.150 -0.023 4.201 1.00 50.34 H new ATOM 103 N THR A 10 -4.891 0.475 2.439 1.00 12.54 N ATOM 104 CA THR A 10 -5.575 1.624 2.019 1.00 44.31 C ATOM 105 C THR A 10 -5.051 2.798 2.802 1.00 2.04 C ATOM 106 O THR A 10 -4.929 2.735 4.030 1.00 60.32 O ATOM 107 CB THR A 10 -7.083 1.456 2.285 1.00 42.34 C ATOM 108 OG1 THR A 10 -7.528 0.189 1.767 1.00 12.22 O ATOM 109 CG2 THR A 10 -7.883 2.562 1.625 1.00 2.33 C ATOM 0 H THR A 10 -5.031 0.254 3.425 1.00 12.54 H new ATOM 0 HA THR A 10 -5.421 1.784 0.952 1.00 44.31 H new ATOM 0 HB THR A 10 -7.241 1.502 3.362 1.00 42.34 H new ATOM 0 HG1 THR A 10 -8.487 0.084 1.939 1.00 12.22 H new ATOM 0 HG21 THR A 10 -8.943 2.416 1.830 1.00 2.33 H new ATOM 0 HG22 THR A 10 -7.566 3.527 2.021 1.00 2.33 H new ATOM 0 HG23 THR A 10 -7.716 2.539 0.548 1.00 2.33 H new ATOM 117 N LEU A 11 -4.694 3.829 2.123 1.00 14.55 N ATOM 118 CA LEU A 11 -4.257 4.988 2.788 1.00 32.33 C ATOM 119 C LEU A 11 -5.444 5.897 2.989 1.00 41.54 C ATOM 120 O LEU A 11 -6.245 6.103 2.063 1.00 5.33 O ATOM 121 CB LEU A 11 -3.053 5.658 2.058 1.00 44.44 C ATOM 122 CG LEU A 11 -3.224 6.227 0.630 1.00 5.05 C ATOM 123 CD1 LEU A 11 -3.923 7.589 0.623 1.00 51.40 C ATOM 124 CD2 LEU A 11 -1.873 6.323 -0.054 1.00 34.13 C ATOM 0 H LEU A 11 -4.698 3.887 1.105 1.00 14.55 H new ATOM 0 HA LEU A 11 -3.861 4.735 3.771 1.00 32.33 H new ATOM 0 HB2 LEU A 11 -2.706 6.475 2.691 1.00 44.44 H new ATOM 0 HB3 LEU A 11 -2.250 4.922 2.018 1.00 44.44 H new ATOM 0 HG LEU A 11 -3.865 5.538 0.079 1.00 5.05 H new ATOM 0 HD11 LEU A 11 -4.018 7.944 -0.403 1.00 51.40 H new ATOM 0 HD12 LEU A 11 -4.914 7.492 1.067 1.00 51.40 H new ATOM 0 HD13 LEU A 11 -3.335 8.303 1.201 1.00 51.40 H new ATOM 0 HD21 LEU A 11 -2.002 6.725 -1.059 1.00 34.13 H new ATOM 0 HD22 LEU A 11 -1.221 6.982 0.519 1.00 34.13 H new ATOM 0 HD23 LEU A 11 -1.424 5.331 -0.114 1.00 34.13 H new ATOM 136 N GLN A 12 -5.619 6.353 4.187 1.00 51.42 N ATOM 137 CA GLN A 12 -6.692 7.252 4.491 1.00 50.03 C ATOM 138 C GLN A 12 -6.114 8.635 4.555 1.00 61.34 C ATOM 139 O GLN A 12 -5.316 8.936 5.429 1.00 11.35 O ATOM 140 CB GLN A 12 -7.377 6.924 5.820 1.00 50.20 C ATOM 141 CG GLN A 12 -8.652 7.737 6.029 1.00 42.20 C ATOM 142 CD GLN A 12 -9.182 7.679 7.434 1.00 72.52 C ATOM 143 OE1 GLN A 12 -9.978 6.804 7.789 1.00 45.31 O ATOM 144 NE2 GLN A 12 -8.777 8.624 8.225 1.00 61.42 N ATOM 0 H GLN A 12 -5.026 6.116 4.982 1.00 51.42 H new ATOM 0 HA GLN A 12 -7.454 7.163 3.716 1.00 50.03 H new ATOM 0 HB2 GLN A 12 -7.617 5.861 5.850 1.00 50.20 H new ATOM 0 HB3 GLN A 12 -6.686 7.118 6.640 1.00 50.20 H new ATOM 0 HG2 GLN A 12 -8.456 8.777 5.767 1.00 42.20 H new ATOM 0 HG3 GLN A 12 -9.420 7.375 5.345 1.00 42.20 H new ATOM 0 HE21 GLN A 12 -8.118 9.325 7.886 1.00 61.42 H new ATOM 0 HE22 GLN A 12 -9.117 8.666 9.186 1.00 61.42 H new ATOM 153 N LEU A 13 -6.521 9.452 3.665 1.00 24.20 N ATOM 154 CA LEU A 13 -5.986 10.763 3.521 1.00 72.34 C ATOM 155 C LEU A 13 -7.038 11.740 3.918 1.00 63.10 C ATOM 156 O LEU A 13 -8.148 11.717 3.365 1.00 45.21 O ATOM 157 CB LEU A 13 -5.625 11.009 2.061 1.00 41.25 C ATOM 158 CG LEU A 13 -5.152 12.415 1.735 1.00 33.01 C ATOM 159 CD1 LEU A 13 -3.750 12.676 2.272 1.00 45.53 C ATOM 160 CD2 LEU A 13 -5.257 12.697 0.249 1.00 64.31 C ATOM 0 H LEU A 13 -7.256 9.230 2.993 1.00 24.20 H new ATOM 0 HA LEU A 13 -5.097 10.872 4.142 1.00 72.34 H new ATOM 0 HB2 LEU A 13 -4.844 10.305 1.774 1.00 41.25 H new ATOM 0 HB3 LEU A 13 -6.497 10.785 1.446 1.00 41.25 H new ATOM 0 HG LEU A 13 -5.816 13.114 2.243 1.00 33.01 H new ATOM 0 HD11 LEU A 13 -3.447 13.692 2.019 1.00 45.53 H new ATOM 0 HD12 LEU A 13 -3.747 12.556 3.355 1.00 45.53 H new ATOM 0 HD13 LEU A 13 -3.052 11.967 1.826 1.00 45.53 H new ATOM 0 HD21 LEU A 13 -4.912 13.711 0.046 1.00 64.31 H new ATOM 0 HD22 LEU A 13 -4.640 11.986 -0.301 1.00 64.31 H new ATOM 0 HD23 LEU A 13 -6.295 12.597 -0.068 1.00 64.31 H new ATOM 172 N ASP A 14 -6.754 12.598 4.831 1.00 30.11 N ATOM 173 CA ASP A 14 -7.758 13.523 5.176 1.00 24.14 C ATOM 174 C ASP A 14 -7.500 14.865 4.595 1.00 11.03 C ATOM 175 O ASP A 14 -6.666 15.631 5.070 1.00 43.35 O ATOM 176 CB ASP A 14 -8.081 13.606 6.646 1.00 31.32 C ATOM 177 CG ASP A 14 -9.204 14.582 6.854 1.00 72.03 C ATOM 178 OD1 ASP A 14 -10.225 14.500 6.108 1.00 42.40 O ATOM 179 OD2 ASP A 14 -9.092 15.459 7.725 1.00 25.44 O ATOM 0 H ASP A 14 -5.869 12.676 5.333 1.00 30.11 H new ATOM 0 HA ASP A 14 -8.661 13.117 4.721 1.00 24.14 H new ATOM 0 HB2 ASP A 14 -8.363 12.623 7.024 1.00 31.32 H new ATOM 0 HB3 ASP A 14 -7.201 13.922 7.206 1.00 31.32 H new ATOM 184 N ASP A 15 -8.204 15.120 3.543 1.00 42.23 N ATOM 185 CA ASP A 15 -8.183 16.396 2.866 1.00 41.34 C ATOM 186 C ASP A 15 -9.141 17.344 3.584 1.00 64.40 C ATOM 187 O ASP A 15 -9.053 18.553 3.471 1.00 24.21 O ATOM 188 CB ASP A 15 -8.641 16.183 1.410 1.00 53.43 C ATOM 189 CG ASP A 15 -8.805 17.464 0.611 1.00 43.35 C ATOM 190 OD1 ASP A 15 -7.806 17.971 0.071 1.00 14.12 O ATOM 191 OD2 ASP A 15 -9.956 17.955 0.472 1.00 32.42 O ATOM 0 H ASP A 15 -8.828 14.438 3.111 1.00 42.23 H new ATOM 0 HA ASP A 15 -7.180 16.824 2.872 1.00 41.34 H new ATOM 0 HB2 ASP A 15 -7.918 15.544 0.904 1.00 53.43 H new ATOM 0 HB3 ASP A 15 -9.591 15.648 1.415 1.00 53.43 H new ATOM 196 N GLY A 16 -9.975 16.755 4.401 1.00 31.30 N ATOM 197 CA GLY A 16 -11.060 17.439 5.034 1.00 73.03 C ATOM 198 C GLY A 16 -12.321 16.759 4.614 1.00 30.11 C ATOM 199 O GLY A 16 -13.317 17.398 4.285 1.00 22.54 O ATOM 0 H GLY A 16 -9.913 15.767 4.646 1.00 31.30 H new ATOM 0 HA2 GLY A 16 -10.951 17.411 6.118 1.00 73.03 H new ATOM 0 HA3 GLY A 16 -11.074 18.489 4.742 1.00 73.03 H new ATOM 203 N SER A 17 -12.258 15.432 4.598 1.00 42.53 N ATOM 204 CA SER A 17 -13.316 14.582 4.055 1.00 4.12 C ATOM 205 C SER A 17 -13.160 13.106 4.510 1.00 12.33 C ATOM 206 O SER A 17 -14.152 12.375 4.596 1.00 25.43 O ATOM 207 CB SER A 17 -13.274 14.617 2.510 1.00 64.12 C ATOM 208 OG SER A 17 -13.348 15.945 2.003 1.00 60.32 O ATOM 0 H SER A 17 -11.463 14.909 4.965 1.00 42.53 H new ATOM 0 HA SER A 17 -14.265 14.968 4.428 1.00 4.12 H new ATOM 0 HB2 SER A 17 -12.354 14.147 2.162 1.00 64.12 H new ATOM 0 HB3 SER A 17 -14.102 14.031 2.112 1.00 64.12 H new ATOM 0 HG SER A 17 -13.317 15.924 1.024 1.00 60.32 H new ATOM 214 N GLY A 18 -11.926 12.685 4.828 1.00 3.43 N ATOM 215 CA GLY A 18 -11.679 11.286 5.109 1.00 74.01 C ATOM 216 C GLY A 18 -11.671 10.467 3.826 1.00 32.21 C ATOM 217 O GLY A 18 -12.582 9.689 3.573 1.00 1.15 O ATOM 0 H GLY A 18 -11.107 13.289 4.893 1.00 3.43 H new ATOM 0 HA2 GLY A 18 -10.723 11.177 5.621 1.00 74.01 H new ATOM 0 HA3 GLY A 18 -12.446 10.905 5.783 1.00 74.01 H new ATOM 221 N ARG A 19 -10.647 10.651 3.010 1.00 24.14 N ATOM 222 CA ARG A 19 -10.550 9.956 1.731 1.00 14.23 C ATOM 223 C ARG A 19 -9.771 8.689 1.903 1.00 11.43 C ATOM 224 O ARG A 19 -9.017 8.554 2.856 1.00 23.22 O ATOM 225 CB ARG A 19 -9.801 10.780 0.696 1.00 44.14 C ATOM 226 CG ARG A 19 -10.380 12.134 0.365 1.00 3.14 C ATOM 227 CD ARG A 19 -11.782 12.041 -0.190 1.00 23.44 C ATOM 228 NE ARG A 19 -12.236 13.347 -0.672 1.00 12.12 N ATOM 229 CZ ARG A 19 -13.485 13.662 -1.029 1.00 31.42 C ATOM 230 NH1 ARG A 19 -14.451 12.763 -0.951 1.00 23.24 N ATOM 231 NH2 ARG A 19 -13.749 14.878 -1.469 1.00 34.11 N ATOM 0 H ARG A 19 -9.867 11.277 3.209 1.00 24.14 H new ATOM 0 HA ARG A 19 -11.570 9.770 1.396 1.00 14.23 H new ATOM 0 HB2 ARG A 19 -8.779 10.923 1.048 1.00 44.14 H new ATOM 0 HB3 ARG A 19 -9.743 10.200 -0.225 1.00 44.14 H new ATOM 0 HG2 ARG A 19 -10.388 12.752 1.263 1.00 3.14 H new ATOM 0 HG3 ARG A 19 -9.738 12.633 -0.360 1.00 3.14 H new ATOM 0 HD2 ARG A 19 -11.808 11.318 -1.005 1.00 23.44 H new ATOM 0 HD3 ARG A 19 -12.460 11.677 0.582 1.00 23.44 H new ATOM 0 HE ARG A 19 -11.535 14.084 -0.742 1.00 12.12 H new ATOM 0 HH11 ARG A 19 -14.246 11.822 -0.617 1.00 23.24 H new ATOM 0 HH12 ARG A 19 -15.402 13.011 -1.225 1.00 23.24 H new ATOM 0 HH21 ARG A 19 -13.002 15.570 -1.535 1.00 34.11 H new ATOM 0 HH22 ARG A 19 -14.700 15.126 -1.743 1.00 34.11 H new ATOM 245 N THR A 20 -9.907 7.787 0.975 1.00 25.41 N ATOM 246 CA THR A 20 -9.180 6.553 1.015 1.00 31.15 C ATOM 247 C THR A 20 -8.670 6.185 -0.382 1.00 61.02 C ATOM 248 O THR A 20 -9.378 6.334 -1.376 1.00 3.31 O ATOM 249 CB THR A 20 -10.035 5.390 1.609 1.00 44.32 C ATOM 250 OG1 THR A 20 -11.286 5.259 0.908 1.00 11.43 O ATOM 251 CG2 THR A 20 -10.306 5.602 3.087 1.00 34.23 C ATOM 0 H THR A 20 -10.525 7.887 0.170 1.00 25.41 H new ATOM 0 HA THR A 20 -8.326 6.700 1.676 1.00 31.15 H new ATOM 0 HB THR A 20 -9.458 4.473 1.486 1.00 44.32 H new ATOM 0 HG1 THR A 20 -11.803 4.523 1.297 1.00 11.43 H new ATOM 0 HG21 THR A 20 -10.904 4.775 3.470 1.00 34.23 H new ATOM 0 HG22 THR A 20 -9.361 5.647 3.627 1.00 34.23 H new ATOM 0 HG23 THR A 20 -10.849 6.537 3.227 1.00 34.23 H new ATOM 259 N TYR A 21 -7.441 5.774 -0.456 1.00 5.11 N ATOM 260 CA TYR A 21 -6.848 5.306 -1.688 1.00 53.42 C ATOM 261 C TYR A 21 -6.177 3.993 -1.414 1.00 12.42 C ATOM 262 O TYR A 21 -5.273 3.917 -0.580 1.00 50.22 O ATOM 263 CB TYR A 21 -5.849 6.336 -2.259 1.00 53.55 C ATOM 264 CG TYR A 21 -5.009 5.834 -3.432 1.00 64.13 C ATOM 265 CD1 TYR A 21 -5.561 5.635 -4.695 1.00 4.05 C ATOM 266 CD2 TYR A 21 -3.654 5.567 -3.265 1.00 40.43 C ATOM 267 CE1 TYR A 21 -4.782 5.179 -5.749 1.00 55.54 C ATOM 268 CE2 TYR A 21 -2.874 5.116 -4.309 1.00 61.11 C ATOM 269 CZ TYR A 21 -3.435 4.921 -5.546 1.00 54.13 C ATOM 270 OH TYR A 21 -2.642 4.468 -6.592 1.00 42.32 O ATOM 0 H TYR A 21 -6.807 5.751 0.343 1.00 5.11 H new ATOM 0 HA TYR A 21 -7.624 5.175 -2.443 1.00 53.42 H new ATOM 0 HB2 TYR A 21 -6.403 7.219 -2.579 1.00 53.55 H new ATOM 0 HB3 TYR A 21 -5.179 6.652 -1.460 1.00 53.55 H new ATOM 0 HD1 TYR A 21 -6.609 5.838 -4.856 1.00 4.05 H new ATOM 0 HD2 TYR A 21 -3.202 5.716 -2.295 1.00 40.43 H new ATOM 0 HE1 TYR A 21 -5.223 5.026 -6.723 1.00 55.54 H new ATOM 0 HE2 TYR A 21 -1.824 4.917 -4.153 1.00 61.11 H new ATOM 0 HH TYR A 21 -1.991 3.819 -6.252 1.00 42.32 H new ATOM 280 N GLN A 22 -6.640 2.959 -2.048 1.00 53.03 N ATOM 281 CA GLN A 22 -6.069 1.672 -1.829 1.00 14.34 C ATOM 282 C GLN A 22 -4.918 1.451 -2.771 1.00 23.33 C ATOM 283 O GLN A 22 -5.048 1.652 -3.989 1.00 31.43 O ATOM 284 CB GLN A 22 -7.115 0.567 -1.899 1.00 51.52 C ATOM 285 CG GLN A 22 -6.574 -0.791 -1.514 1.00 73.21 C ATOM 286 CD GLN A 22 -7.663 -1.791 -1.267 1.00 42.34 C ATOM 287 OE1 GLN A 22 -8.096 -2.495 -2.161 1.00 22.13 O ATOM 288 NE2 GLN A 22 -8.133 -1.837 -0.060 1.00 10.03 N ATOM 0 H GLN A 22 -7.409 2.984 -2.718 1.00 53.03 H new ATOM 0 HA GLN A 22 -5.673 1.634 -0.814 1.00 14.34 H new ATOM 0 HB2 GLN A 22 -7.946 0.820 -1.240 1.00 51.52 H new ATOM 0 HB3 GLN A 22 -7.515 0.518 -2.912 1.00 51.52 H new ATOM 0 HG2 GLN A 22 -5.921 -1.157 -2.307 1.00 73.21 H new ATOM 0 HG3 GLN A 22 -5.963 -0.695 -0.617 1.00 73.21 H new ATOM 0 HE21 GLN A 22 -7.744 -1.231 0.662 1.00 10.03 H new ATOM 0 HE22 GLN A 22 -8.892 -2.479 0.168 1.00 10.03 H new ATOM 297 N LEU A 23 -3.801 1.066 -2.204 1.00 55.04 N ATOM 298 CA LEU A 23 -2.570 0.908 -2.931 1.00 43.23 C ATOM 299 C LEU A 23 -2.654 -0.191 -3.950 1.00 62.23 C ATOM 300 O LEU A 23 -3.206 -1.276 -3.692 1.00 60.15 O ATOM 301 CB LEU A 23 -1.404 0.663 -1.981 1.00 42.31 C ATOM 302 CG LEU A 23 -1.053 1.814 -1.034 1.00 31.30 C ATOM 303 CD1 LEU A 23 0.088 1.417 -0.134 1.00 53.33 C ATOM 304 CD2 LEU A 23 -0.686 3.067 -1.816 1.00 13.11 C ATOM 0 H LEU A 23 -3.723 0.851 -1.210 1.00 55.04 H new ATOM 0 HA LEU A 23 -2.395 1.841 -3.467 1.00 43.23 H new ATOM 0 HB2 LEU A 23 -1.630 -0.218 -1.381 1.00 42.31 H new ATOM 0 HB3 LEU A 23 -0.521 0.426 -2.575 1.00 42.31 H new ATOM 0 HG LEU A 23 -1.930 2.033 -0.424 1.00 31.30 H new ATOM 0 HD11 LEU A 23 0.328 2.243 0.535 1.00 53.33 H new ATOM 0 HD12 LEU A 23 -0.199 0.546 0.455 1.00 53.33 H new ATOM 0 HD13 LEU A 23 0.961 1.174 -0.739 1.00 53.33 H new ATOM 0 HD21 LEU A 23 -0.441 3.871 -1.122 1.00 13.11 H new ATOM 0 HD22 LEU A 23 0.176 2.860 -2.451 1.00 13.11 H new ATOM 0 HD23 LEU A 23 -1.530 3.369 -2.437 1.00 13.11 H new ATOM 316 N ARG A 24 -2.128 0.101 -5.095 1.00 43.23 N ATOM 317 CA ARG A 24 -2.093 -0.809 -6.195 1.00 22.21 C ATOM 318 C ARG A 24 -0.795 -1.563 -6.173 1.00 40.00 C ATOM 319 O ARG A 24 0.151 -1.144 -5.500 1.00 40.15 O ATOM 320 CB ARG A 24 -2.252 -0.038 -7.495 1.00 4.13 C ATOM 321 CG ARG A 24 -3.596 0.641 -7.610 1.00 2.11 C ATOM 322 CD ARG A 24 -3.661 1.551 -8.807 1.00 13.20 C ATOM 323 NE ARG A 24 -4.998 2.128 -8.958 1.00 71.24 N ATOM 324 CZ ARG A 24 -5.293 3.427 -9.108 1.00 2.43 C ATOM 325 NH1 ARG A 24 -4.353 4.363 -8.981 1.00 72.33 N ATOM 326 NH2 ARG A 24 -6.546 3.787 -9.326 1.00 72.43 N ATOM 0 H ARG A 24 -1.699 1.004 -5.297 1.00 43.23 H new ATOM 0 HA ARG A 24 -2.912 -1.524 -6.117 1.00 22.21 H new ATOM 0 HB2 ARG A 24 -1.464 0.711 -7.567 1.00 4.13 H new ATOM 0 HB3 ARG A 24 -2.121 -0.720 -8.335 1.00 4.13 H new ATOM 0 HG2 ARG A 24 -4.379 -0.113 -7.684 1.00 2.11 H new ATOM 0 HG3 ARG A 24 -3.791 1.216 -6.705 1.00 2.11 H new ATOM 0 HD2 ARG A 24 -2.927 2.350 -8.701 1.00 13.20 H new ATOM 0 HD3 ARG A 24 -3.398 0.994 -9.706 1.00 13.20 H new ATOM 0 HE ARG A 24 -5.783 1.477 -8.948 1.00 71.24 H new ATOM 0 HH11 ARG A 24 -3.392 4.095 -8.767 1.00 72.33 H new ATOM 0 HH12 ARG A 24 -4.594 5.347 -9.098 1.00 72.33 H new ATOM 0 HH21 ARG A 24 -7.278 3.079 -9.379 1.00 72.43 H new ATOM 0 HH22 ARG A 24 -6.781 4.773 -9.441 1.00 72.43 H new ATOM 340 N GLU A 25 -0.748 -2.649 -6.895 1.00 64.53 N ATOM 341 CA GLU A 25 0.436 -3.492 -6.956 1.00 51.23 C ATOM 342 C GLU A 25 1.617 -2.742 -7.579 1.00 63.02 C ATOM 343 O GLU A 25 1.494 -2.143 -8.657 1.00 12.13 O ATOM 344 CB GLU A 25 0.125 -4.808 -7.694 1.00 52.15 C ATOM 345 CG GLU A 25 -0.533 -4.635 -9.057 1.00 71.51 C ATOM 346 CD GLU A 25 -0.851 -5.949 -9.725 1.00 24.02 C ATOM 347 OE1 GLU A 25 -1.927 -6.534 -9.458 1.00 55.23 O ATOM 348 OE2 GLU A 25 -0.056 -6.411 -10.549 1.00 62.13 O ATOM 0 H GLU A 25 -1.527 -2.983 -7.463 1.00 64.53 H new ATOM 0 HA GLU A 25 0.731 -3.751 -5.939 1.00 51.23 H new ATOM 0 HB2 GLU A 25 1.053 -5.365 -7.822 1.00 52.15 H new ATOM 0 HB3 GLU A 25 -0.527 -5.415 -7.066 1.00 52.15 H new ATOM 0 HG2 GLU A 25 -1.452 -4.060 -8.941 1.00 71.51 H new ATOM 0 HG3 GLU A 25 0.127 -4.055 -9.703 1.00 71.51 H new ATOM 355 N GLY A 26 2.724 -2.732 -6.883 1.00 24.45 N ATOM 356 CA GLY A 26 3.880 -2.032 -7.354 1.00 22.41 C ATOM 357 C GLY A 26 4.073 -0.752 -6.603 1.00 22.43 C ATOM 358 O GLY A 26 3.510 -0.573 -5.519 1.00 44.24 O ATOM 0 H GLY A 26 2.845 -3.203 -5.987 1.00 24.45 H new ATOM 0 HA2 GLY A 26 4.763 -2.662 -7.240 1.00 22.41 H new ATOM 0 HA3 GLY A 26 3.774 -1.821 -8.418 1.00 22.41 H new ATOM 362 N SER A 27 4.839 0.148 -7.141 1.00 23.54 N ATOM 363 CA SER A 27 5.065 1.369 -6.456 1.00 34.32 C ATOM 364 C SER A 27 4.097 2.451 -6.898 1.00 71.21 C ATOM 365 O SER A 27 3.949 2.742 -8.096 1.00 41.23 O ATOM 366 CB SER A 27 6.532 1.808 -6.529 1.00 4.21 C ATOM 367 OG SER A 27 6.985 1.945 -7.876 1.00 53.02 O ATOM 0 H SER A 27 5.310 0.056 -8.041 1.00 23.54 H new ATOM 0 HA SER A 27 4.860 1.191 -5.400 1.00 34.32 H new ATOM 0 HB2 SER A 27 6.652 2.758 -6.008 1.00 4.21 H new ATOM 0 HB3 SER A 27 7.154 1.079 -6.010 1.00 4.21 H new ATOM 0 HG SER A 27 7.923 2.228 -7.878 1.00 53.02 H new ATOM 373 N ASN A 28 3.430 3.019 -5.930 1.00 63.33 N ATOM 374 CA ASN A 28 2.462 4.056 -6.163 1.00 11.34 C ATOM 375 C ASN A 28 3.168 5.346 -5.891 1.00 21.32 C ATOM 376 O ASN A 28 3.844 5.481 -4.860 1.00 11.43 O ATOM 377 CB ASN A 28 1.191 3.920 -5.271 1.00 15.04 C ATOM 378 CG ASN A 28 0.373 2.621 -5.464 1.00 1.14 C ATOM 379 OD1 ASN A 28 -0.868 2.633 -5.402 1.00 50.42 O ATOM 380 ND2 ASN A 28 1.038 1.499 -5.632 1.00 2.31 N ATOM 0 H ASN A 28 3.545 2.772 -4.947 1.00 63.33 H new ATOM 0 HA ASN A 28 2.093 3.996 -7.187 1.00 11.34 H new ATOM 0 HB2 ASN A 28 1.494 3.985 -4.226 1.00 15.04 H new ATOM 0 HB3 ASN A 28 0.539 4.771 -5.467 1.00 15.04 H new ATOM 0 HD21 ASN A 28 0.535 0.615 -5.714 1.00 2.31 H new ATOM 0 HD22 ASN A 28 2.057 1.512 -5.680 1.00 2.31 H new ATOM 387 N ILE A 29 3.072 6.266 -6.801 1.00 51.12 N ATOM 388 CA ILE A 29 3.863 7.476 -6.727 1.00 42.41 C ATOM 389 C ILE A 29 3.021 8.695 -6.331 1.00 21.43 C ATOM 390 O ILE A 29 1.882 8.870 -6.815 1.00 21.21 O ATOM 391 CB ILE A 29 4.543 7.762 -8.093 1.00 31.44 C ATOM 392 CG1 ILE A 29 5.298 6.519 -8.627 1.00 73.24 C ATOM 393 CG2 ILE A 29 5.487 8.955 -7.991 1.00 23.01 C ATOM 394 CD1 ILE A 29 6.444 6.035 -7.763 1.00 53.41 C ATOM 0 H ILE A 29 2.454 6.210 -7.610 1.00 51.12 H new ATOM 0 HA ILE A 29 4.616 7.312 -5.956 1.00 42.41 H new ATOM 0 HB ILE A 29 3.753 8.003 -8.804 1.00 31.44 H new ATOM 0 HG12 ILE A 29 4.584 5.704 -8.744 1.00 73.24 H new ATOM 0 HG13 ILE A 29 5.685 6.749 -9.620 1.00 73.24 H new ATOM 0 HG21 ILE A 29 5.951 9.136 -8.961 1.00 23.01 H new ATOM 0 HG22 ILE A 29 4.925 9.838 -7.687 1.00 23.01 H new ATOM 0 HG23 ILE A 29 6.260 8.745 -7.252 1.00 23.01 H new ATOM 0 HD11 ILE A 29 6.905 5.162 -8.225 1.00 53.41 H new ATOM 0 HD12 ILE A 29 7.186 6.828 -7.665 1.00 53.41 H new ATOM 0 HD13 ILE A 29 6.067 5.766 -6.776 1.00 53.41 H new ATOM 406 N ILE A 30 3.579 9.504 -5.449 1.00 21.14 N ATOM 407 CA ILE A 30 3.011 10.770 -5.027 1.00 44.14 C ATOM 408 C ILE A 30 3.945 11.887 -5.512 1.00 12.24 C ATOM 409 O ILE A 30 5.174 11.735 -5.443 1.00 32.21 O ATOM 410 CB ILE A 30 2.869 10.836 -3.464 1.00 21.24 C ATOM 411 CG1 ILE A 30 1.851 9.790 -2.963 1.00 12.15 C ATOM 412 CG2 ILE A 30 2.531 12.246 -2.965 1.00 52.25 C ATOM 413 CD1 ILE A 30 1.638 9.786 -1.459 1.00 14.53 C ATOM 0 H ILE A 30 4.466 9.291 -4.993 1.00 21.14 H new ATOM 0 HA ILE A 30 2.014 10.883 -5.452 1.00 44.14 H new ATOM 0 HB ILE A 30 3.842 10.590 -3.039 1.00 21.24 H new ATOM 0 HG12 ILE A 30 0.894 9.970 -3.452 1.00 12.15 H new ATOM 0 HG13 ILE A 30 2.185 8.800 -3.272 1.00 12.15 H new ATOM 0 HG21 ILE A 30 2.444 12.236 -1.879 1.00 52.25 H new ATOM 0 HG22 ILE A 30 3.322 12.936 -3.260 1.00 52.25 H new ATOM 0 HG23 ILE A 30 1.586 12.570 -3.402 1.00 52.25 H new ATOM 0 HD11 ILE A 30 0.908 9.021 -1.197 1.00 14.53 H new ATOM 0 HD12 ILE A 30 2.582 9.573 -0.958 1.00 14.53 H new ATOM 0 HD13 ILE A 30 1.271 10.762 -1.141 1.00 14.53 H new ATOM 425 N GLY A 31 3.379 12.950 -6.050 1.00 12.05 N ATOM 426 CA GLY A 31 4.153 14.091 -6.504 1.00 23.11 C ATOM 427 C GLY A 31 3.464 14.754 -7.649 1.00 61.25 C ATOM 428 O GLY A 31 2.251 14.707 -7.724 1.00 65.21 O ATOM 0 H GLY A 31 2.373 13.048 -6.185 1.00 12.05 H new ATOM 0 HA2 GLY A 31 4.283 14.801 -5.687 1.00 23.11 H new ATOM 0 HA3 GLY A 31 5.149 13.768 -6.806 1.00 23.11 H new ATOM 432 N ARG A 32 4.194 15.398 -8.520 1.00 42.22 N ATOM 433 CA ARG A 32 3.593 15.923 -9.734 1.00 42.51 C ATOM 434 C ARG A 32 4.448 15.528 -10.901 1.00 63.13 C ATOM 435 O ARG A 32 5.529 16.078 -11.079 1.00 31.44 O ATOM 436 CB ARG A 32 3.506 17.445 -9.747 1.00 61.21 C ATOM 437 CG ARG A 32 2.744 18.111 -8.631 1.00 21.35 C ATOM 438 CD ARG A 32 2.549 19.567 -9.012 1.00 22.53 C ATOM 439 NE ARG A 32 1.887 20.374 -7.997 1.00 24.20 N ATOM 440 CZ ARG A 32 1.191 21.489 -8.259 1.00 41.41 C ATOM 441 NH1 ARG A 32 0.919 21.845 -9.517 1.00 50.21 N ATOM 442 NH2 ARG A 32 0.759 22.237 -7.271 1.00 53.03 N ATOM 0 H ARG A 32 5.194 15.574 -8.422 1.00 42.22 H new ATOM 0 HA ARG A 32 2.583 15.516 -9.787 1.00 42.51 H new ATOM 0 HB2 ARG A 32 4.522 17.839 -9.742 1.00 61.21 H new ATOM 0 HB3 ARG A 32 3.052 17.747 -10.691 1.00 61.21 H new ATOM 0 HG2 ARG A 32 1.781 17.623 -8.480 1.00 21.35 H new ATOM 0 HG3 ARG A 32 3.292 18.031 -7.692 1.00 21.35 H new ATOM 0 HD2 ARG A 32 3.523 20.006 -9.229 1.00 22.53 H new ATOM 0 HD3 ARG A 32 1.966 19.614 -9.932 1.00 22.53 H new ATOM 0 HE ARG A 32 1.957 20.072 -7.025 1.00 24.20 H new ATOM 0 HH11 ARG A 32 1.242 21.266 -10.292 1.00 50.21 H new ATOM 0 HH12 ARG A 32 0.388 22.696 -9.703 1.00 50.21 H new ATOM 0 HH21 ARG A 32 0.953 21.969 -6.306 1.00 53.03 H new ATOM 0 HH22 ARG A 32 0.229 23.086 -7.468 1.00 53.03 H new ATOM 456 N GLY A 33 4.003 14.597 -11.680 1.00 25.50 N ATOM 457 CA GLY A 33 4.756 14.212 -12.816 1.00 10.23 C ATOM 458 C GLY A 33 4.137 13.069 -13.531 1.00 71.24 C ATOM 459 O GLY A 33 3.004 12.684 -13.232 1.00 13.42 O ATOM 0 H GLY A 33 3.126 14.094 -11.547 1.00 25.50 H new ATOM 0 HA2 GLY A 33 4.846 15.059 -13.496 1.00 10.23 H new ATOM 0 HA3 GLY A 33 5.766 13.943 -12.507 1.00 10.23 H new ATOM 463 N GLN A 34 4.898 12.501 -14.445 1.00 72.04 N ATOM 464 CA GLN A 34 4.495 11.329 -15.213 1.00 42.15 C ATOM 465 C GLN A 34 4.304 10.149 -14.289 1.00 34.31 C ATOM 466 O GLN A 34 3.333 9.397 -14.395 1.00 14.32 O ATOM 467 CB GLN A 34 5.573 10.983 -16.237 1.00 41.33 C ATOM 468 CG GLN A 34 5.818 12.059 -17.269 1.00 51.14 C ATOM 469 CD GLN A 34 4.587 12.357 -18.085 1.00 3.22 C ATOM 470 OE1 GLN A 34 3.741 11.488 -18.304 1.00 31.41 O ATOM 471 NE2 GLN A 34 4.468 13.565 -18.537 1.00 61.44 N ATOM 0 H GLN A 34 5.829 12.843 -14.682 1.00 72.04 H new ATOM 0 HA GLN A 34 3.559 11.552 -15.724 1.00 42.15 H new ATOM 0 HB2 GLN A 34 6.506 10.781 -15.711 1.00 41.33 H new ATOM 0 HB3 GLN A 34 5.290 10.063 -16.748 1.00 41.33 H new ATOM 0 HG2 GLN A 34 6.150 12.969 -16.770 1.00 51.14 H new ATOM 0 HG3 GLN A 34 6.625 11.747 -17.932 1.00 51.14 H new ATOM 0 HE21 GLN A 34 5.189 14.258 -18.336 1.00 61.44 H new ATOM 0 HE22 GLN A 34 3.654 13.823 -19.094 1.00 61.44 H new ATOM 480 N ASP A 35 5.241 10.007 -13.378 1.00 21.23 N ATOM 481 CA ASP A 35 5.246 8.942 -12.392 1.00 51.01 C ATOM 482 C ASP A 35 4.109 9.110 -11.429 1.00 53.52 C ATOM 483 O ASP A 35 3.469 8.144 -11.018 1.00 50.20 O ATOM 484 CB ASP A 35 6.530 8.994 -11.565 1.00 12.43 C ATOM 485 CG ASP A 35 7.798 8.850 -12.345 1.00 31.34 C ATOM 486 OD1 ASP A 35 8.245 9.839 -12.966 1.00 35.34 O ATOM 487 OD2 ASP A 35 8.394 7.763 -12.323 1.00 13.21 O ATOM 0 H ASP A 35 6.037 10.639 -13.298 1.00 21.23 H new ATOM 0 HA ASP A 35 5.162 7.999 -12.932 1.00 51.01 H new ATOM 0 HB2 ASP A 35 6.559 9.942 -11.028 1.00 12.43 H new ATOM 0 HB3 ASP A 35 6.492 8.204 -10.815 1.00 12.43 H new ATOM 492 N ALA A 36 3.833 10.343 -11.108 1.00 74.23 N ATOM 493 CA ALA A 36 2.906 10.673 -10.068 1.00 14.05 C ATOM 494 C ALA A 36 1.459 10.423 -10.423 1.00 64.13 C ATOM 495 O ALA A 36 0.835 11.166 -11.202 1.00 21.31 O ATOM 496 CB ALA A 36 3.116 12.070 -9.605 1.00 23.21 C ATOM 0 H ALA A 36 4.250 11.153 -11.567 1.00 74.23 H new ATOM 0 HA ALA A 36 3.119 9.987 -9.248 1.00 14.05 H new ATOM 0 HB1 ALA A 36 2.402 12.303 -8.815 1.00 23.21 H new ATOM 0 HB2 ALA A 36 4.130 12.177 -9.221 1.00 23.21 H new ATOM 0 HB3 ALA A 36 2.969 12.756 -10.439 1.00 23.21 H new ATOM 502 N GLN A 37 0.949 9.370 -9.845 1.00 51.10 N ATOM 503 CA GLN A 37 -0.436 8.983 -9.949 1.00 42.43 C ATOM 504 C GLN A 37 -1.224 9.894 -9.025 1.00 21.23 C ATOM 505 O GLN A 37 -2.235 10.495 -9.407 1.00 2.35 O ATOM 506 CB GLN A 37 -0.578 7.534 -9.477 1.00 51.43 C ATOM 507 CG GLN A 37 0.239 6.539 -10.278 1.00 2.14 C ATOM 508 CD GLN A 37 0.315 5.183 -9.613 1.00 40.43 C ATOM 509 OE1 GLN A 37 1.222 4.923 -8.827 1.00 74.05 O ATOM 510 NE2 GLN A 37 -0.614 4.317 -9.914 1.00 52.01 N ATOM 0 H GLN A 37 1.502 8.735 -9.269 1.00 51.10 H new ATOM 0 HA GLN A 37 -0.797 9.064 -10.974 1.00 42.43 H new ATOM 0 HB2 GLN A 37 -0.280 7.473 -8.430 1.00 51.43 H new ATOM 0 HB3 GLN A 37 -1.629 7.248 -9.526 1.00 51.43 H new ATOM 0 HG2 GLN A 37 -0.199 6.429 -11.270 1.00 2.14 H new ATOM 0 HG3 GLN A 37 1.247 6.929 -10.416 1.00 2.14 H new ATOM 0 HE21 GLN A 37 -1.352 4.569 -10.571 1.00 52.01 H new ATOM 0 HE22 GLN A 37 -0.602 3.389 -9.492 1.00 52.01 H new ATOM 519 N PHE A 38 -0.710 10.013 -7.823 1.00 1.32 N ATOM 520 CA PHE A 38 -1.265 10.843 -6.796 1.00 72.13 C ATOM 521 C PHE A 38 -0.525 12.170 -6.856 1.00 35.00 C ATOM 522 O PHE A 38 0.688 12.224 -6.634 1.00 74.32 O ATOM 523 CB PHE A 38 -1.045 10.153 -5.445 1.00 1.25 C ATOM 524 CG PHE A 38 -1.609 10.844 -4.234 1.00 61.02 C ATOM 525 CD1 PHE A 38 -0.991 11.961 -3.703 1.00 23.42 C ATOM 526 CD2 PHE A 38 -2.739 10.355 -3.609 1.00 42.44 C ATOM 527 CE1 PHE A 38 -1.481 12.577 -2.588 1.00 30.31 C ATOM 528 CE2 PHE A 38 -3.237 10.968 -2.479 1.00 72.54 C ATOM 529 CZ PHE A 38 -2.601 12.083 -1.968 1.00 41.10 C ATOM 0 H PHE A 38 0.132 9.517 -7.531 1.00 1.32 H new ATOM 0 HA PHE A 38 -2.334 11.008 -6.927 1.00 72.13 H new ATOM 0 HB2 PHE A 38 -1.477 9.154 -5.499 1.00 1.25 H new ATOM 0 HB3 PHE A 38 0.028 10.029 -5.297 1.00 1.25 H new ATOM 0 HD1 PHE A 38 -0.104 12.353 -4.179 1.00 23.42 H new ATOM 0 HD2 PHE A 38 -3.237 9.484 -4.009 1.00 42.44 H new ATOM 0 HE1 PHE A 38 -0.987 13.453 -2.194 1.00 30.31 H new ATOM 0 HE2 PHE A 38 -4.120 10.578 -1.995 1.00 72.54 H new ATOM 0 HZ PHE A 38 -2.985 12.565 -1.081 1.00 41.10 H new ATOM 539 N ARG A 39 -1.227 13.211 -7.178 1.00 35.31 N ATOM 540 CA ARG A 39 -0.618 14.495 -7.368 1.00 13.14 C ATOM 541 C ARG A 39 -0.982 15.456 -6.253 1.00 23.25 C ATOM 542 O ARG A 39 -2.134 15.503 -5.810 1.00 3.32 O ATOM 543 CB ARG A 39 -0.984 15.040 -8.744 1.00 74.11 C ATOM 544 CG ARG A 39 -0.540 14.110 -9.869 1.00 22.32 C ATOM 545 CD ARG A 39 -0.936 14.619 -11.233 1.00 73.23 C ATOM 546 NE ARG A 39 -0.574 13.661 -12.289 1.00 41.43 N ATOM 547 CZ ARG A 39 -0.884 13.791 -13.588 1.00 33.42 C ATOM 548 NH1 ARG A 39 -1.470 14.905 -14.031 1.00 32.23 N ATOM 549 NH2 ARG A 39 -0.582 12.819 -14.442 1.00 63.31 N ATOM 0 H ARG A 39 -2.237 13.198 -7.317 1.00 35.31 H new ATOM 0 HA ARG A 39 0.465 14.380 -7.326 1.00 13.14 H new ATOM 0 HB2 ARG A 39 -2.063 15.186 -8.800 1.00 74.11 H new ATOM 0 HB3 ARG A 39 -0.523 16.018 -8.880 1.00 74.11 H new ATOM 0 HG2 ARG A 39 0.543 13.990 -9.830 1.00 22.32 H new ATOM 0 HG3 ARG A 39 -0.976 13.123 -9.713 1.00 22.32 H new ATOM 0 HD2 ARG A 39 -2.010 14.801 -11.257 1.00 73.23 H new ATOM 0 HD3 ARG A 39 -0.447 15.574 -11.423 1.00 73.23 H new ATOM 0 HE ARG A 39 -0.046 12.833 -12.012 1.00 41.43 H new ATOM 0 HH11 ARG A 39 -1.684 15.662 -13.381 1.00 32.23 H new ATOM 0 HH12 ARG A 39 -1.704 15.000 -15.019 1.00 32.23 H new ATOM 0 HH21 ARG A 39 -0.115 11.975 -14.110 1.00 63.31 H new ATOM 0 HH22 ARG A 39 -0.817 12.917 -15.430 1.00 63.31 H new ATOM 563 N LEU A 40 0.006 16.200 -5.791 1.00 43.44 N ATOM 564 CA LEU A 40 -0.181 17.145 -4.701 1.00 73.41 C ATOM 565 C LEU A 40 -0.564 18.530 -5.207 1.00 23.10 C ATOM 566 O LEU A 40 0.032 19.024 -6.156 1.00 25.02 O ATOM 567 CB LEU A 40 1.066 17.237 -3.807 1.00 73.33 C ATOM 568 CG LEU A 40 1.379 16.009 -2.948 1.00 64.41 C ATOM 569 CD1 LEU A 40 2.643 16.236 -2.141 1.00 13.13 C ATOM 570 CD2 LEU A 40 0.217 15.710 -2.014 1.00 32.12 C ATOM 0 H LEU A 40 0.957 16.168 -6.158 1.00 43.44 H new ATOM 0 HA LEU A 40 -1.007 16.762 -4.101 1.00 73.41 H new ATOM 0 HB2 LEU A 40 1.928 17.438 -4.443 1.00 73.33 H new ATOM 0 HB3 LEU A 40 0.950 18.096 -3.146 1.00 73.33 H new ATOM 0 HG LEU A 40 1.532 15.156 -3.609 1.00 64.41 H new ATOM 0 HD11 LEU A 40 2.852 15.354 -1.536 1.00 13.13 H new ATOM 0 HD12 LEU A 40 3.478 16.418 -2.817 1.00 13.13 H new ATOM 0 HD13 LEU A 40 2.509 17.099 -1.489 1.00 13.13 H new ATOM 0 HD21 LEU A 40 0.453 14.835 -1.409 1.00 32.12 H new ATOM 0 HD22 LEU A 40 0.045 16.566 -1.362 1.00 32.12 H new ATOM 0 HD23 LEU A 40 -0.681 15.515 -2.601 1.00 32.12 H new ATOM 582 N PRO A 41 -1.579 19.169 -4.583 1.00 71.24 N ATOM 583 CA PRO A 41 -2.038 20.526 -4.956 1.00 25.55 C ATOM 584 C PRO A 41 -1.045 21.642 -4.569 1.00 14.22 C ATOM 585 O PRO A 41 -1.091 22.739 -5.121 1.00 20.11 O ATOM 586 CB PRO A 41 -3.350 20.696 -4.170 1.00 13.42 C ATOM 587 CG PRO A 41 -3.715 19.321 -3.718 1.00 10.33 C ATOM 588 CD PRO A 41 -2.417 18.607 -3.508 1.00 1.20 C ATOM 0 HA PRO A 41 -2.146 20.615 -6.037 1.00 25.55 H new ATOM 0 HB2 PRO A 41 -3.217 21.367 -3.322 1.00 13.42 H new ATOM 0 HB3 PRO A 41 -4.132 21.125 -4.797 1.00 13.42 H new ATOM 0 HG2 PRO A 41 -4.298 19.353 -2.797 1.00 10.33 H new ATOM 0 HG3 PRO A 41 -4.326 18.813 -4.464 1.00 10.33 H new ATOM 0 HD2 PRO A 41 -1.999 18.803 -2.521 1.00 1.20 H new ATOM 0 HD3 PRO A 41 -2.527 17.526 -3.599 1.00 1.20 H new ATOM 596 N ASP A 42 -0.153 21.359 -3.643 1.00 25.13 N ATOM 597 CA ASP A 42 0.849 22.351 -3.201 1.00 1.41 C ATOM 598 C ASP A 42 2.110 22.288 -4.042 1.00 33.11 C ATOM 599 O ASP A 42 2.205 21.477 -4.969 1.00 52.15 O ATOM 600 CB ASP A 42 1.213 22.182 -1.715 1.00 75.04 C ATOM 601 CG ASP A 42 0.195 22.769 -0.769 1.00 54.31 C ATOM 602 OD1 ASP A 42 -0.755 22.081 -0.389 1.00 42.54 O ATOM 603 OD2 ASP A 42 0.350 23.945 -0.369 1.00 61.33 O ATOM 0 H ASP A 42 -0.088 20.456 -3.173 1.00 25.13 H new ATOM 0 HA ASP A 42 0.386 23.329 -3.334 1.00 1.41 H new ATOM 0 HB2 ASP A 42 1.328 21.120 -1.497 1.00 75.04 H new ATOM 0 HB3 ASP A 42 2.179 22.652 -1.531 1.00 75.04 H new ATOM 608 N THR A 43 3.047 23.159 -3.738 1.00 72.42 N ATOM 609 CA THR A 43 4.337 23.218 -4.382 1.00 32.15 C ATOM 610 C THR A 43 5.419 22.735 -3.361 1.00 44.01 C ATOM 611 O THR A 43 5.117 22.581 -2.168 1.00 2.51 O ATOM 612 CB THR A 43 4.590 24.680 -4.888 1.00 13.23 C ATOM 613 OG1 THR A 43 3.537 25.050 -5.797 1.00 42.51 O ATOM 614 CG2 THR A 43 5.910 24.819 -5.621 1.00 75.01 C ATOM 0 H THR A 43 2.927 23.867 -3.013 1.00 72.42 H new ATOM 0 HA THR A 43 4.383 22.564 -5.253 1.00 32.15 H new ATOM 0 HB THR A 43 4.615 25.327 -4.011 1.00 13.23 H new ATOM 0 HG1 THR A 43 3.687 25.964 -6.117 1.00 42.51 H new ATOM 0 HG21 THR A 43 6.036 25.850 -5.950 1.00 75.01 H new ATOM 0 HG22 THR A 43 6.728 24.549 -4.953 1.00 75.01 H new ATOM 0 HG23 THR A 43 5.916 24.158 -6.488 1.00 75.01 H new ATOM 622 N GLY A 44 6.647 22.481 -3.819 1.00 15.31 N ATOM 623 CA GLY A 44 7.662 21.907 -2.950 1.00 63.22 C ATOM 624 C GLY A 44 7.722 20.431 -3.203 1.00 21.12 C ATOM 625 O GLY A 44 8.365 19.662 -2.490 1.00 30.23 O ATOM 0 H GLY A 44 6.954 22.663 -4.774 1.00 15.31 H new ATOM 0 HA2 GLY A 44 8.632 22.365 -3.145 1.00 63.22 H new ATOM 0 HA3 GLY A 44 7.422 22.103 -1.905 1.00 63.22 H new ATOM 629 N VAL A 45 7.027 20.057 -4.237 1.00 43.13 N ATOM 630 CA VAL A 45 6.840 18.711 -4.619 1.00 33.34 C ATOM 631 C VAL A 45 7.437 18.480 -6.019 1.00 53.22 C ATOM 632 O VAL A 45 7.081 19.152 -6.990 1.00 24.15 O ATOM 633 CB VAL A 45 5.313 18.369 -4.570 1.00 24.33 C ATOM 634 CG1 VAL A 45 4.482 19.279 -5.456 1.00 51.43 C ATOM 635 CG2 VAL A 45 5.058 16.935 -4.900 1.00 73.31 C ATOM 0 H VAL A 45 6.560 20.720 -4.856 1.00 43.13 H new ATOM 0 HA VAL A 45 7.358 18.046 -3.928 1.00 33.34 H new ATOM 0 HB VAL A 45 4.997 18.544 -3.542 1.00 24.33 H new ATOM 0 HG11 VAL A 45 3.432 18.997 -5.384 1.00 51.43 H new ATOM 0 HG12 VAL A 45 4.604 20.313 -5.132 1.00 51.43 H new ATOM 0 HG13 VAL A 45 4.813 19.182 -6.490 1.00 51.43 H new ATOM 0 HG21 VAL A 45 3.987 16.736 -4.856 1.00 73.31 H new ATOM 0 HG22 VAL A 45 5.425 16.722 -5.904 1.00 73.31 H new ATOM 0 HG23 VAL A 45 5.575 16.299 -4.182 1.00 73.31 H new ATOM 645 N SER A 46 8.370 17.585 -6.103 1.00 35.14 N ATOM 646 CA SER A 46 9.006 17.259 -7.360 1.00 61.14 C ATOM 647 C SER A 46 8.114 16.256 -8.141 1.00 32.34 C ATOM 648 O SER A 46 6.951 16.016 -7.751 1.00 74.32 O ATOM 649 CB SER A 46 10.366 16.659 -7.041 1.00 13.40 C ATOM 650 OG SER A 46 11.064 17.493 -6.116 1.00 62.34 O ATOM 0 H SER A 46 8.720 17.053 -5.306 1.00 35.14 H new ATOM 0 HA SER A 46 9.136 18.143 -7.985 1.00 61.14 H new ATOM 0 HB2 SER A 46 10.243 15.661 -6.621 1.00 13.40 H new ATOM 0 HB3 SER A 46 10.948 16.550 -7.956 1.00 13.40 H new ATOM 0 HG SER A 46 11.938 17.098 -5.915 1.00 62.34 H new ATOM 656 N ARG A 47 8.625 15.674 -9.239 1.00 73.32 N ATOM 657 CA ARG A 47 7.828 14.696 -9.987 1.00 11.42 C ATOM 658 C ARG A 47 7.561 13.453 -9.163 1.00 40.54 C ATOM 659 O ARG A 47 6.551 12.776 -9.338 1.00 51.01 O ATOM 660 CB ARG A 47 8.391 14.368 -11.384 1.00 1.00 C ATOM 661 CG ARG A 47 9.757 13.708 -11.431 1.00 55.12 C ATOM 662 CD ARG A 47 10.178 13.494 -12.876 1.00 64.41 C ATOM 663 NE ARG A 47 11.424 12.733 -13.002 1.00 42.44 N ATOM 664 CZ ARG A 47 12.031 12.454 -14.166 1.00 61.15 C ATOM 665 NH1 ARG A 47 11.553 12.952 -15.305 1.00 14.03 N ATOM 666 NH2 ARG A 47 13.111 11.675 -14.186 1.00 52.52 N ATOM 0 H ARG A 47 9.555 15.857 -9.616 1.00 73.32 H new ATOM 0 HA ARG A 47 6.869 15.176 -10.180 1.00 11.42 H new ATOM 0 HB2 ARG A 47 7.681 13.716 -11.893 1.00 1.00 H new ATOM 0 HB3 ARG A 47 8.441 15.294 -11.957 1.00 1.00 H new ATOM 0 HG2 ARG A 47 10.490 14.331 -10.918 1.00 55.12 H new ATOM 0 HG3 ARG A 47 9.728 12.753 -10.906 1.00 55.12 H new ATOM 0 HD2 ARG A 47 9.383 12.970 -13.407 1.00 64.41 H new ATOM 0 HD3 ARG A 47 10.300 14.463 -13.361 1.00 64.41 H new ATOM 0 HE ARG A 47 11.860 12.392 -12.146 1.00 42.44 H new ATOM 0 HH11 ARG A 47 10.724 13.547 -15.294 1.00 14.03 H new ATOM 0 HH12 ARG A 47 12.016 12.739 -16.189 1.00 14.03 H new ATOM 0 HH21 ARG A 47 13.478 11.289 -13.316 1.00 52.52 H new ATOM 0 HH22 ARG A 47 13.571 11.464 -15.071 1.00 52.52 H new ATOM 680 N ARG A 48 8.467 13.173 -8.260 1.00 50.54 N ATOM 681 CA ARG A 48 8.288 12.134 -7.298 1.00 30.51 C ATOM 682 C ARG A 48 8.635 12.679 -5.944 1.00 30.42 C ATOM 683 O ARG A 48 9.741 13.149 -5.729 1.00 33.11 O ATOM 684 CB ARG A 48 9.099 10.878 -7.611 1.00 75.52 C ATOM 685 CG ARG A 48 8.715 10.229 -8.914 1.00 51.03 C ATOM 686 CD ARG A 48 9.202 8.797 -9.013 1.00 52.40 C ATOM 687 NE ARG A 48 10.652 8.640 -9.002 1.00 63.44 N ATOM 688 CZ ARG A 48 11.289 7.697 -9.706 1.00 10.32 C ATOM 689 NH1 ARG A 48 10.677 7.096 -10.739 1.00 63.43 N ATOM 690 NH2 ARG A 48 12.560 7.420 -9.441 1.00 24.23 N ATOM 0 H ARG A 48 9.355 13.669 -8.178 1.00 50.54 H new ATOM 0 HA ARG A 48 7.245 11.818 -7.326 1.00 30.51 H new ATOM 0 HB2 ARG A 48 10.158 11.136 -7.640 1.00 75.52 H new ATOM 0 HB3 ARG A 48 8.968 10.159 -6.803 1.00 75.52 H new ATOM 0 HG2 ARG A 48 7.630 10.249 -9.021 1.00 51.03 H new ATOM 0 HG3 ARG A 48 9.127 10.808 -9.740 1.00 51.03 H new ATOM 0 HD2 ARG A 48 8.783 8.228 -8.183 1.00 52.40 H new ATOM 0 HD3 ARG A 48 8.810 8.358 -9.931 1.00 52.40 H new ATOM 0 HE ARG A 48 11.206 9.279 -8.431 1.00 63.44 H new ATOM 0 HH11 ARG A 48 9.723 7.358 -10.989 1.00 63.43 H new ATOM 0 HH12 ARG A 48 11.166 6.378 -11.273 1.00 63.43 H new ATOM 0 HH21 ARG A 48 13.049 7.926 -8.702 1.00 24.23 H new ATOM 0 HH22 ARG A 48 13.048 6.702 -9.976 1.00 24.23 H new ATOM 704 N HIS A 49 7.673 12.666 -5.086 1.00 72.13 N ATOM 705 CA HIS A 49 7.779 13.160 -3.732 1.00 21.54 C ATOM 706 C HIS A 49 7.886 11.991 -2.798 1.00 32.22 C ATOM 707 O HIS A 49 8.506 12.072 -1.758 1.00 21.34 O ATOM 708 CB HIS A 49 6.521 13.997 -3.406 1.00 50.15 C ATOM 709 CG HIS A 49 6.372 14.466 -1.969 1.00 62.55 C ATOM 710 ND1 HIS A 49 6.717 15.732 -1.585 1.00 3.00 N ATOM 711 CD2 HIS A 49 5.894 13.793 -0.891 1.00 11.11 C ATOM 712 CE1 HIS A 49 6.446 15.796 -0.283 1.00 41.32 C ATOM 713 NE2 HIS A 49 5.951 14.647 0.173 1.00 32.42 N ATOM 0 H HIS A 49 6.747 12.298 -5.306 1.00 72.13 H new ATOM 0 HA HIS A 49 8.663 13.788 -3.620 1.00 21.54 H new ATOM 0 HB2 HIS A 49 6.518 14.874 -4.053 1.00 50.15 H new ATOM 0 HB3 HIS A 49 5.642 13.407 -3.665 1.00 50.15 H new ATOM 0 HD2 HIS A 49 5.536 12.774 -0.878 1.00 11.11 H new ATOM 0 HE1 HIS A 49 6.608 16.672 0.328 1.00 41.32 H new ATOM 0 HE2 HIS A 49 5.669 14.444 1.132 1.00 32.42 H new ATOM 721 N LEU A 50 7.271 10.906 -3.174 1.00 41.02 N ATOM 722 CA LEU A 50 7.275 9.731 -2.371 1.00 41.12 C ATOM 723 C LEU A 50 6.765 8.579 -3.191 1.00 22.23 C ATOM 724 O LEU A 50 5.942 8.773 -4.106 1.00 63.32 O ATOM 725 CB LEU A 50 6.423 9.980 -1.094 1.00 73.11 C ATOM 726 CG LEU A 50 6.273 8.840 -0.089 1.00 70.14 C ATOM 727 CD1 LEU A 50 6.033 9.419 1.283 1.00 2.02 C ATOM 728 CD2 LEU A 50 5.085 7.977 -0.458 1.00 24.50 C ATOM 0 H LEU A 50 6.754 10.818 -4.049 1.00 41.02 H new ATOM 0 HA LEU A 50 8.284 9.482 -2.044 1.00 41.12 H new ATOM 0 HB2 LEU A 50 6.854 10.832 -0.568 1.00 73.11 H new ATOM 0 HB3 LEU A 50 5.424 10.275 -1.414 1.00 73.11 H new ATOM 0 HG LEU A 50 7.182 8.238 -0.097 1.00 70.14 H new ATOM 0 HD11 LEU A 50 5.925 8.610 2.006 1.00 2.02 H new ATOM 0 HD12 LEU A 50 6.878 10.047 1.566 1.00 2.02 H new ATOM 0 HD13 LEU A 50 5.123 10.018 1.271 1.00 2.02 H new ATOM 0 HD21 LEU A 50 4.986 7.167 0.264 1.00 24.50 H new ATOM 0 HD22 LEU A 50 4.179 8.583 -0.450 1.00 24.50 H new ATOM 0 HD23 LEU A 50 5.234 7.559 -1.454 1.00 24.50 H new ATOM 740 N GLU A 51 7.278 7.420 -2.914 1.00 50.15 N ATOM 741 CA GLU A 51 6.842 6.219 -3.562 1.00 74.00 C ATOM 742 C GLU A 51 6.539 5.156 -2.535 1.00 41.43 C ATOM 743 O GLU A 51 7.243 5.015 -1.531 1.00 13.14 O ATOM 744 CB GLU A 51 7.867 5.717 -4.590 1.00 73.42 C ATOM 745 CG GLU A 51 9.280 5.520 -4.055 1.00 42.10 C ATOM 746 CD GLU A 51 10.263 5.101 -5.130 1.00 22.22 C ATOM 747 OE1 GLU A 51 10.174 3.963 -5.625 1.00 31.31 O ATOM 748 OE2 GLU A 51 11.154 5.897 -5.489 1.00 13.02 O ATOM 0 H GLU A 51 8.018 7.278 -2.226 1.00 50.15 H new ATOM 0 HA GLU A 51 5.929 6.448 -4.111 1.00 74.00 H new ATOM 0 HB2 GLU A 51 7.515 4.769 -4.997 1.00 73.42 H new ATOM 0 HB3 GLU A 51 7.905 6.426 -5.417 1.00 73.42 H new ATOM 0 HG2 GLU A 51 9.623 6.448 -3.598 1.00 42.10 H new ATOM 0 HG3 GLU A 51 9.264 4.764 -3.270 1.00 42.10 H new ATOM 755 N ILE A 52 5.459 4.474 -2.736 1.00 4.43 N ATOM 756 CA ILE A 52 5.107 3.380 -1.887 1.00 44.13 C ATOM 757 C ILE A 52 5.135 2.127 -2.709 1.00 1.22 C ATOM 758 O ILE A 52 4.300 1.946 -3.586 1.00 0.52 O ATOM 759 CB ILE A 52 3.702 3.522 -1.267 1.00 42.11 C ATOM 760 CG1 ILE A 52 3.572 4.838 -0.502 1.00 10.14 C ATOM 761 CG2 ILE A 52 3.459 2.345 -0.335 1.00 32.10 C ATOM 762 CD1 ILE A 52 2.184 5.110 0.049 1.00 22.34 C ATOM 0 H ILE A 52 4.797 4.657 -3.490 1.00 4.43 H new ATOM 0 HA ILE A 52 5.823 3.356 -1.066 1.00 44.13 H new ATOM 0 HB ILE A 52 2.957 3.527 -2.063 1.00 42.11 H new ATOM 0 HG12 ILE A 52 4.283 4.836 0.324 1.00 10.14 H new ATOM 0 HG13 ILE A 52 3.854 5.658 -1.163 1.00 10.14 H new ATOM 0 HG21 ILE A 52 2.468 2.433 0.111 1.00 32.10 H new ATOM 0 HG22 ILE A 52 3.522 1.415 -0.900 1.00 32.10 H new ATOM 0 HG23 ILE A 52 4.212 2.343 0.453 1.00 32.10 H new ATOM 0 HD11 ILE A 52 2.182 6.064 0.577 1.00 22.34 H new ATOM 0 HD12 ILE A 52 1.468 5.148 -0.772 1.00 22.34 H new ATOM 0 HD13 ILE A 52 1.904 4.314 0.738 1.00 22.34 H new ATOM 774 N ARG A 53 6.083 1.290 -2.462 1.00 13.11 N ATOM 775 CA ARG A 53 6.181 0.072 -3.183 1.00 12.14 C ATOM 776 C ARG A 53 5.428 -0.991 -2.449 1.00 43.14 C ATOM 777 O ARG A 53 5.838 -1.457 -1.386 1.00 75.14 O ATOM 778 CB ARG A 53 7.639 -0.299 -3.419 1.00 52.00 C ATOM 779 CG ARG A 53 7.851 -1.596 -4.182 1.00 13.01 C ATOM 780 CD ARG A 53 9.305 -1.731 -4.598 1.00 1.01 C ATOM 781 NE ARG A 53 9.668 -0.679 -5.559 1.00 2.33 N ATOM 782 CZ ARG A 53 10.464 0.382 -5.313 1.00 21.54 C ATOM 783 NH1 ARG A 53 11.129 0.495 -4.151 1.00 53.31 N ATOM 784 NH2 ARG A 53 10.615 1.303 -6.241 1.00 44.10 N ATOM 0 H ARG A 53 6.808 1.431 -1.758 1.00 13.11 H new ATOM 0 HA ARG A 53 5.731 0.184 -4.170 1.00 12.14 H new ATOM 0 HB2 ARG A 53 8.121 0.511 -3.966 1.00 52.00 H new ATOM 0 HB3 ARG A 53 8.141 -0.375 -2.454 1.00 52.00 H new ATOM 0 HG2 ARG A 53 7.564 -2.443 -3.559 1.00 13.01 H new ATOM 0 HG3 ARG A 53 7.210 -1.616 -5.063 1.00 13.01 H new ATOM 0 HD2 ARG A 53 9.948 -1.666 -3.720 1.00 1.01 H new ATOM 0 HD3 ARG A 53 9.472 -2.712 -5.044 1.00 1.01 H new ATOM 0 HE ARG A 53 9.282 -0.759 -6.500 1.00 2.33 H new ATOM 0 HH11 ARG A 53 11.036 -0.228 -3.438 1.00 53.31 H new ATOM 0 HH12 ARG A 53 11.727 1.304 -3.982 1.00 53.31 H new ATOM 0 HH21 ARG A 53 10.133 1.210 -7.135 1.00 44.10 H new ATOM 0 HH22 ARG A 53 11.214 2.110 -6.066 1.00 44.10 H new ATOM 798 N TRP A 54 4.319 -1.335 -2.995 1.00 44.44 N ATOM 799 CA TRP A 54 3.471 -2.304 -2.426 1.00 74.11 C ATOM 800 C TRP A 54 3.708 -3.651 -3.068 1.00 72.04 C ATOM 801 O TRP A 54 3.350 -3.886 -4.235 1.00 63.23 O ATOM 802 CB TRP A 54 1.994 -1.864 -2.524 1.00 23.45 C ATOM 803 CG TRP A 54 1.008 -2.950 -2.157 1.00 5.43 C ATOM 804 CD1 TRP A 54 0.045 -3.486 -2.956 1.00 52.43 C ATOM 805 CD2 TRP A 54 0.933 -3.660 -0.913 1.00 54.25 C ATOM 806 NE1 TRP A 54 -0.630 -4.480 -2.281 1.00 11.14 N ATOM 807 CE2 TRP A 54 -0.096 -4.608 -1.030 1.00 23.44 C ATOM 808 CE3 TRP A 54 1.639 -3.583 0.280 1.00 23.01 C ATOM 809 CZ2 TRP A 54 -0.433 -5.475 0.010 1.00 20.13 C ATOM 810 CZ3 TRP A 54 1.312 -4.434 1.310 1.00 23.22 C ATOM 811 CH2 TRP A 54 0.284 -5.374 1.173 1.00 43.10 C ATOM 0 H TRP A 54 3.973 -0.939 -3.869 1.00 44.44 H new ATOM 0 HA TRP A 54 3.705 -2.401 -1.366 1.00 74.11 H new ATOM 0 HB2 TRP A 54 1.836 -1.007 -1.870 1.00 23.45 H new ATOM 0 HB3 TRP A 54 1.791 -1.530 -3.542 1.00 23.45 H new ATOM 0 HD1 TRP A 54 -0.160 -3.177 -3.970 1.00 52.43 H new ATOM 0 HE1 TRP A 54 -1.403 -5.031 -2.655 1.00 11.14 H new ATOM 0 HE3 TRP A 54 2.436 -2.863 0.398 1.00 23.01 H new ATOM 0 HZ2 TRP A 54 -1.228 -6.198 -0.098 1.00 20.13 H new ATOM 0 HZ3 TRP A 54 1.858 -4.376 2.240 1.00 23.22 H new ATOM 0 HH2 TRP A 54 0.052 -6.031 1.998 1.00 43.10 H new ATOM 822 N ASP A 55 4.334 -4.502 -2.320 1.00 51.11 N ATOM 823 CA ASP A 55 4.596 -5.856 -2.732 1.00 10.31 C ATOM 824 C ASP A 55 3.651 -6.725 -1.912 1.00 55.24 C ATOM 825 O ASP A 55 2.940 -6.199 -1.071 1.00 4.03 O ATOM 826 CB ASP A 55 6.071 -6.213 -2.443 1.00 31.50 C ATOM 827 CG ASP A 55 6.513 -7.517 -3.077 1.00 12.34 C ATOM 828 OD1 ASP A 55 6.336 -8.586 -2.464 1.00 53.24 O ATOM 829 OD2 ASP A 55 7.044 -7.484 -4.216 1.00 42.41 O ATOM 0 H ASP A 55 4.686 -4.278 -1.389 1.00 51.11 H new ATOM 0 HA ASP A 55 4.435 -6.003 -3.800 1.00 10.31 H new ATOM 0 HB2 ASP A 55 6.709 -5.407 -2.806 1.00 31.50 H new ATOM 0 HB3 ASP A 55 6.217 -6.275 -1.365 1.00 31.50 H new ATOM 834 N GLY A 56 3.675 -8.022 -2.078 1.00 44.13 N ATOM 835 CA GLY A 56 2.744 -8.864 -1.346 1.00 44.41 C ATOM 836 C GLY A 56 3.194 -9.114 0.077 1.00 11.50 C ATOM 837 O GLY A 56 2.564 -9.868 0.828 1.00 4.23 O ATOM 0 H GLY A 56 4.313 -8.518 -2.700 1.00 44.13 H new ATOM 0 HA2 GLY A 56 1.761 -8.393 -1.337 1.00 44.41 H new ATOM 0 HA3 GLY A 56 2.635 -9.817 -1.863 1.00 44.41 H new ATOM 841 N GLN A 57 4.276 -8.491 0.440 1.00 23.33 N ATOM 842 CA GLN A 57 4.821 -8.585 1.759 1.00 64.43 C ATOM 843 C GLN A 57 4.377 -7.391 2.611 1.00 12.44 C ATOM 844 O GLN A 57 3.480 -7.509 3.445 1.00 52.53 O ATOM 845 CB GLN A 57 6.334 -8.627 1.681 1.00 41.53 C ATOM 846 CG GLN A 57 6.887 -9.812 0.917 1.00 75.52 C ATOM 847 CD GLN A 57 8.393 -9.785 0.830 1.00 21.13 C ATOM 848 OE1 GLN A 57 9.005 -8.723 0.820 1.00 23.54 O ATOM 849 NE2 GLN A 57 8.997 -10.933 0.754 1.00 4.43 N ATOM 0 H GLN A 57 4.814 -7.892 -0.186 1.00 23.33 H new ATOM 0 HA GLN A 57 4.455 -9.499 2.226 1.00 64.43 H new ATOM 0 HB2 GLN A 57 6.687 -7.710 1.210 1.00 41.53 H new ATOM 0 HB3 GLN A 57 6.738 -8.642 2.693 1.00 41.53 H new ATOM 0 HG2 GLN A 57 6.570 -10.735 1.403 1.00 75.52 H new ATOM 0 HG3 GLN A 57 6.467 -9.821 -0.089 1.00 75.52 H new ATOM 0 HE21 GLN A 57 8.454 -11.797 0.765 1.00 4.43 H new ATOM 0 HE22 GLN A 57 10.014 -10.971 0.683 1.00 4.43 H new ATOM 858 N VAL A 58 4.982 -6.240 2.354 1.00 25.21 N ATOM 859 CA VAL A 58 4.749 -5.018 3.113 1.00 40.10 C ATOM 860 C VAL A 58 4.732 -3.829 2.172 1.00 3.33 C ATOM 861 O VAL A 58 5.210 -3.929 1.029 1.00 73.44 O ATOM 862 CB VAL A 58 5.830 -4.769 4.227 1.00 21.22 C ATOM 863 CG1 VAL A 58 5.765 -5.826 5.325 1.00 3.33 C ATOM 864 CG2 VAL A 58 7.238 -4.711 3.629 1.00 24.01 C ATOM 0 H VAL A 58 5.660 -6.126 1.600 1.00 25.21 H new ATOM 0 HA VAL A 58 3.787 -5.138 3.611 1.00 40.10 H new ATOM 0 HB VAL A 58 5.605 -3.803 4.678 1.00 21.22 H new ATOM 0 HG11 VAL A 58 6.528 -5.618 6.075 1.00 3.33 H new ATOM 0 HG12 VAL A 58 4.781 -5.805 5.793 1.00 3.33 H new ATOM 0 HG13 VAL A 58 5.940 -6.811 4.893 1.00 3.33 H new ATOM 0 HG21 VAL A 58 7.964 -4.538 4.423 1.00 24.01 H new ATOM 0 HG22 VAL A 58 7.462 -5.655 3.133 1.00 24.01 H new ATOM 0 HG23 VAL A 58 7.292 -3.899 2.904 1.00 24.01 H new ATOM 874 N ALA A 59 4.159 -2.737 2.618 1.00 1.15 N ATOM 875 CA ALA A 59 4.127 -1.534 1.839 1.00 41.52 C ATOM 876 C ALA A 59 5.357 -0.721 2.167 1.00 1.03 C ATOM 877 O ALA A 59 5.474 -0.133 3.248 1.00 13.31 O ATOM 878 CB ALA A 59 2.857 -0.748 2.104 1.00 32.43 C ATOM 0 H ALA A 59 3.705 -2.662 3.528 1.00 1.15 H new ATOM 0 HA ALA A 59 4.128 -1.781 0.777 1.00 41.52 H new ATOM 0 HB1 ALA A 59 2.858 0.160 1.501 1.00 32.43 H new ATOM 0 HB2 ALA A 59 1.991 -1.356 1.842 1.00 32.43 H new ATOM 0 HB3 ALA A 59 2.808 -0.482 3.160 1.00 32.43 H new ATOM 884 N LEU A 60 6.273 -0.742 1.259 1.00 52.21 N ATOM 885 CA LEU A 60 7.547 -0.096 1.404 1.00 1.54 C ATOM 886 C LEU A 60 7.391 1.396 1.101 1.00 43.24 C ATOM 887 O LEU A 60 7.136 1.792 -0.028 1.00 43.43 O ATOM 888 CB LEU A 60 8.550 -0.802 0.449 1.00 11.23 C ATOM 889 CG LEU A 60 10.050 -0.442 0.510 1.00 51.13 C ATOM 890 CD1 LEU A 60 10.839 -1.460 -0.294 1.00 11.24 C ATOM 891 CD2 LEU A 60 10.331 0.948 -0.048 1.00 63.13 C ATOM 0 H LEU A 60 6.159 -1.222 0.366 1.00 52.21 H new ATOM 0 HA LEU A 60 7.930 -0.175 2.421 1.00 1.54 H new ATOM 0 HB2 LEU A 60 8.466 -1.875 0.624 1.00 11.23 H new ATOM 0 HB3 LEU A 60 8.213 -0.618 -0.571 1.00 11.23 H new ATOM 0 HG LEU A 60 10.350 -0.451 1.558 1.00 51.13 H new ATOM 0 HD11 LEU A 60 11.900 -1.211 -0.255 1.00 11.24 H new ATOM 0 HD12 LEU A 60 10.684 -2.454 0.125 1.00 11.24 H new ATOM 0 HD13 LEU A 60 10.501 -1.446 -1.330 1.00 11.24 H new ATOM 0 HD21 LEU A 60 11.399 1.157 0.016 1.00 63.13 H new ATOM 0 HD22 LEU A 60 10.014 0.993 -1.090 1.00 63.13 H new ATOM 0 HD23 LEU A 60 9.781 1.690 0.530 1.00 63.13 H new ATOM 903 N LEU A 61 7.523 2.184 2.114 1.00 32.04 N ATOM 904 CA LEU A 61 7.391 3.615 2.043 1.00 41.22 C ATOM 905 C LEU A 61 8.770 4.207 1.817 1.00 22.22 C ATOM 906 O LEU A 61 9.693 3.970 2.601 1.00 43.55 O ATOM 907 CB LEU A 61 6.779 4.110 3.395 1.00 22.31 C ATOM 908 CG LEU A 61 6.394 5.606 3.601 1.00 24.22 C ATOM 909 CD1 LEU A 61 7.587 6.561 3.600 1.00 74.24 C ATOM 910 CD2 LEU A 61 5.361 6.023 2.587 1.00 14.40 C ATOM 0 H LEU A 61 7.734 1.845 3.053 1.00 32.04 H new ATOM 0 HA LEU A 61 6.739 3.923 1.225 1.00 41.22 H new ATOM 0 HB2 LEU A 61 5.879 3.521 3.573 1.00 22.31 H new ATOM 0 HB3 LEU A 61 7.489 3.852 4.181 1.00 22.31 H new ATOM 0 HG LEU A 61 5.969 5.678 4.602 1.00 24.22 H new ATOM 0 HD11 LEU A 61 7.236 7.582 3.749 1.00 74.24 H new ATOM 0 HD12 LEU A 61 8.270 6.291 4.406 1.00 74.24 H new ATOM 0 HD13 LEU A 61 8.108 6.492 2.645 1.00 74.24 H new ATOM 0 HD21 LEU A 61 5.101 7.070 2.742 1.00 14.40 H new ATOM 0 HD22 LEU A 61 5.764 5.894 1.583 1.00 14.40 H new ATOM 0 HD23 LEU A 61 4.469 5.407 2.702 1.00 14.40 H new ATOM 922 N ALA A 62 8.920 4.932 0.754 1.00 33.34 N ATOM 923 CA ALA A 62 10.144 5.622 0.480 1.00 74.55 C ATOM 924 C ALA A 62 9.847 7.081 0.199 1.00 31.13 C ATOM 925 O ALA A 62 9.192 7.415 -0.800 1.00 1.50 O ATOM 926 CB ALA A 62 10.876 4.982 -0.688 1.00 31.05 C ATOM 0 H ALA A 62 8.196 5.064 0.048 1.00 33.34 H new ATOM 0 HA ALA A 62 10.795 5.554 1.352 1.00 74.55 H new ATOM 0 HB1 ALA A 62 11.803 5.524 -0.877 1.00 31.05 H new ATOM 0 HB2 ALA A 62 11.105 3.943 -0.449 1.00 31.05 H new ATOM 0 HB3 ALA A 62 10.246 5.019 -1.577 1.00 31.05 H new ATOM 932 N ASP A 63 10.279 7.940 1.091 1.00 74.13 N ATOM 933 CA ASP A 63 10.083 9.374 0.926 1.00 23.04 C ATOM 934 C ASP A 63 11.127 9.891 -0.029 1.00 64.44 C ATOM 935 O ASP A 63 12.309 9.495 0.053 1.00 13.53 O ATOM 936 CB ASP A 63 10.160 10.115 2.272 1.00 21.31 C ATOM 937 CG ASP A 63 10.108 11.628 2.119 1.00 11.01 C ATOM 938 OD1 ASP A 63 9.013 12.181 1.901 1.00 50.43 O ATOM 939 OD2 ASP A 63 11.178 12.279 2.225 1.00 71.55 O ATOM 0 H ASP A 63 10.771 7.677 1.945 1.00 74.13 H new ATOM 0 HA ASP A 63 9.086 9.555 0.524 1.00 23.04 H new ATOM 0 HB2 ASP A 63 9.336 9.791 2.907 1.00 21.31 H new ATOM 0 HB3 ASP A 63 11.083 9.838 2.781 1.00 21.31 H new ATOM 944 N LEU A 64 10.726 10.719 -0.938 1.00 44.44 N ATOM 945 CA LEU A 64 11.620 11.203 -1.937 1.00 12.22 C ATOM 946 C LEU A 64 11.463 12.720 -2.084 1.00 44.10 C ATOM 947 O LEU A 64 10.892 13.215 -3.051 1.00 23.14 O ATOM 948 CB LEU A 64 11.287 10.449 -3.249 1.00 14.03 C ATOM 949 CG LEU A 64 12.132 10.713 -4.492 1.00 60.41 C ATOM 950 CD1 LEU A 64 13.610 10.588 -4.182 1.00 51.05 C ATOM 951 CD2 LEU A 64 11.756 9.705 -5.556 1.00 3.23 C ATOM 0 H LEU A 64 9.774 11.077 -1.009 1.00 44.44 H new ATOM 0 HA LEU A 64 12.661 11.022 -1.670 1.00 12.22 H new ATOM 0 HB2 LEU A 64 11.340 9.381 -3.037 1.00 14.03 H new ATOM 0 HB3 LEU A 64 10.251 10.673 -3.503 1.00 14.03 H new ATOM 0 HG LEU A 64 11.941 11.728 -4.840 1.00 60.41 H new ATOM 0 HD11 LEU A 64 14.189 10.781 -5.085 1.00 51.05 H new ATOM 0 HD12 LEU A 64 13.883 11.312 -3.414 1.00 51.05 H new ATOM 0 HD13 LEU A 64 13.823 9.581 -3.823 1.00 51.05 H new ATOM 0 HD21 LEU A 64 12.352 9.881 -6.451 1.00 3.23 H new ATOM 0 HD22 LEU A 64 11.946 8.697 -5.186 1.00 3.23 H new ATOM 0 HD23 LEU A 64 10.698 9.809 -5.798 1.00 3.23 H new ATOM 963 N ASN A 65 12.015 13.454 -1.150 1.00 52.33 N ATOM 964 CA ASN A 65 11.924 14.910 -1.158 1.00 4.51 C ATOM 965 C ASN A 65 12.993 15.439 -0.218 1.00 2.45 C ATOM 966 O ASN A 65 13.555 14.672 0.573 1.00 63.31 O ATOM 967 CB ASN A 65 10.536 15.378 -0.652 1.00 10.23 C ATOM 968 CG ASN A 65 10.228 16.833 -1.011 1.00 2.22 C ATOM 969 OD1 ASN A 65 10.680 17.762 -0.355 1.00 25.03 O ATOM 970 ND2 ASN A 65 9.386 17.036 -1.981 1.00 20.20 N ATOM 0 H ASN A 65 12.539 13.071 -0.363 1.00 52.33 H new ATOM 0 HA ASN A 65 12.062 15.281 -2.173 1.00 4.51 H new ATOM 0 HB2 ASN A 65 9.765 14.734 -1.075 1.00 10.23 H new ATOM 0 HB3 ASN A 65 10.491 15.259 0.431 1.00 10.23 H new ATOM 0 HD21 ASN A 65 9.089 17.985 -2.209 1.00 20.20 H new ATOM 0 HD22 ASN A 65 9.022 16.246 -2.514 1.00 20.20 H new ATOM 977 N SER A 66 13.300 16.701 -0.309 1.00 30.05 N ATOM 978 CA SER A 66 14.261 17.303 0.563 1.00 23.45 C ATOM 979 C SER A 66 13.584 18.203 1.617 1.00 53.53 C ATOM 980 O SER A 66 13.723 17.978 2.822 1.00 61.51 O ATOM 981 CB SER A 66 15.225 18.116 -0.302 1.00 44.42 C ATOM 982 OG SER A 66 14.483 18.924 -1.220 1.00 53.01 O ATOM 0 H SER A 66 12.890 17.340 -0.990 1.00 30.05 H new ATOM 0 HA SER A 66 14.797 16.528 1.112 1.00 23.45 H new ATOM 0 HB2 SER A 66 15.851 18.747 0.329 1.00 44.42 H new ATOM 0 HB3 SER A 66 15.892 17.448 -0.847 1.00 44.42 H new ATOM 0 HG SER A 66 15.103 19.445 -1.772 1.00 53.01 H new ATOM 988 N THR A 67 12.779 19.138 1.149 1.00 15.45 N ATOM 989 CA THR A 67 12.204 20.179 1.985 1.00 23.54 C ATOM 990 C THR A 67 10.864 19.791 2.616 1.00 0.33 C ATOM 991 O THR A 67 10.583 20.131 3.763 1.00 54.15 O ATOM 992 CB THR A 67 12.043 21.509 1.167 1.00 73.40 C ATOM 993 OG1 THR A 67 11.492 22.551 1.982 1.00 4.20 O ATOM 994 CG2 THR A 67 11.163 21.312 -0.081 1.00 22.54 C ATOM 0 H THR A 67 12.502 19.198 0.169 1.00 15.45 H new ATOM 0 HA THR A 67 12.904 20.326 2.808 1.00 23.54 H new ATOM 0 HB THR A 67 13.042 21.799 0.840 1.00 73.40 H new ATOM 0 HG1 THR A 67 11.403 23.369 1.450 1.00 4.20 H new ATOM 0 HG21 THR A 67 11.077 22.256 -0.618 1.00 22.54 H new ATOM 0 HG22 THR A 67 11.616 20.564 -0.732 1.00 22.54 H new ATOM 0 HG23 THR A 67 10.171 20.976 0.222 1.00 22.54 H new ATOM 1002 N ASN A 68 10.076 19.061 1.906 1.00 1.33 N ATOM 1003 CA ASN A 68 8.719 18.793 2.317 1.00 61.23 C ATOM 1004 C ASN A 68 8.576 17.314 2.617 1.00 41.11 C ATOM 1005 O ASN A 68 7.492 16.739 2.518 1.00 61.33 O ATOM 1006 CB ASN A 68 7.785 19.238 1.181 1.00 2.24 C ATOM 1007 CG ASN A 68 6.339 19.370 1.596 1.00 11.42 C ATOM 1008 OD1 ASN A 68 6.033 19.662 2.746 1.00 31.12 O ATOM 1009 ND2 ASN A 68 5.447 19.200 0.659 1.00 61.32 N ATOM 0 H ASN A 68 10.343 18.627 1.022 1.00 1.33 H new ATOM 0 HA ASN A 68 8.458 19.341 3.222 1.00 61.23 H new ATOM 0 HB2 ASN A 68 8.131 20.196 0.793 1.00 2.24 H new ATOM 0 HB3 ASN A 68 7.855 18.520 0.364 1.00 2.24 H new ATOM 0 HD21 ASN A 68 4.456 19.310 0.873 1.00 61.32 H new ATOM 0 HD22 ASN A 68 5.741 18.957 -0.287 1.00 61.32 H new ATOM 1016 N GLY A 69 9.710 16.726 3.009 1.00 42.44 N ATOM 1017 CA GLY A 69 9.816 15.312 3.317 1.00 74.12 C ATOM 1018 C GLY A 69 8.753 14.816 4.274 1.00 22.51 C ATOM 1019 O GLY A 69 8.444 15.458 5.295 1.00 70.11 O ATOM 0 H GLY A 69 10.588 17.233 3.120 1.00 42.44 H new ATOM 0 HA2 GLY A 69 9.753 14.742 2.390 1.00 74.12 H new ATOM 0 HA3 GLY A 69 10.799 15.115 3.746 1.00 74.12 H new ATOM 1023 N THR A 70 8.229 13.691 3.953 1.00 35.42 N ATOM 1024 CA THR A 70 7.156 13.080 4.654 1.00 45.00 C ATOM 1025 C THR A 70 7.652 12.428 5.957 1.00 14.34 C ATOM 1026 O THR A 70 8.695 11.775 5.989 1.00 53.14 O ATOM 1027 CB THR A 70 6.537 12.032 3.738 1.00 51.24 C ATOM 1028 OG1 THR A 70 6.392 12.605 2.420 1.00 42.21 O ATOM 1029 CG2 THR A 70 5.183 11.610 4.244 1.00 44.35 C ATOM 0 H THR A 70 8.551 13.143 3.155 1.00 35.42 H new ATOM 0 HA THR A 70 6.415 13.831 4.928 1.00 45.00 H new ATOM 0 HB THR A 70 7.184 11.155 3.711 1.00 51.24 H new ATOM 0 HG1 THR A 70 7.230 12.499 1.923 1.00 42.21 H new ATOM 0 HG21 THR A 70 4.761 10.861 3.573 1.00 44.35 H new ATOM 0 HG22 THR A 70 5.284 11.187 5.243 1.00 44.35 H new ATOM 0 HG23 THR A 70 4.523 12.476 4.282 1.00 44.35 H new ATOM 1037 N THR A 71 6.913 12.625 7.013 1.00 51.14 N ATOM 1038 CA THR A 71 7.264 12.122 8.315 1.00 13.02 C ATOM 1039 C THR A 71 6.368 10.909 8.622 1.00 62.42 C ATOM 1040 O THR A 71 5.199 10.906 8.248 1.00 11.53 O ATOM 1041 CB THR A 71 6.977 13.227 9.337 1.00 62.20 C ATOM 1042 OG1 THR A 71 7.138 14.494 8.681 1.00 73.53 O ATOM 1043 CG2 THR A 71 7.968 13.172 10.471 1.00 30.25 C ATOM 0 H THR A 71 6.037 13.147 6.995 1.00 51.14 H new ATOM 0 HA THR A 71 8.313 11.830 8.355 1.00 13.02 H new ATOM 0 HB THR A 71 5.968 13.095 9.728 1.00 62.20 H new ATOM 0 HG1 THR A 71 7.432 15.165 9.332 1.00 73.53 H new ATOM 0 HG21 THR A 71 7.747 13.965 11.186 1.00 30.25 H new ATOM 0 HG22 THR A 71 7.898 12.205 10.969 1.00 30.25 H new ATOM 0 HG23 THR A 71 8.976 13.307 10.080 1.00 30.25 H new ATOM 1051 N VAL A 72 6.903 9.888 9.261 1.00 32.11 N ATOM 1052 CA VAL A 72 6.119 8.708 9.601 1.00 41.40 C ATOM 1053 C VAL A 72 6.054 8.554 11.115 1.00 3.34 C ATOM 1054 O VAL A 72 7.072 8.478 11.774 1.00 32.24 O ATOM 1055 CB VAL A 72 6.679 7.406 8.937 1.00 25.44 C ATOM 1056 CG1 VAL A 72 6.541 7.477 7.428 1.00 31.33 C ATOM 1057 CG2 VAL A 72 8.136 7.205 9.295 1.00 14.41 C ATOM 0 H VAL A 72 7.878 9.848 9.557 1.00 32.11 H new ATOM 0 HA VAL A 72 5.114 8.853 9.205 1.00 41.40 H new ATOM 0 HB VAL A 72 6.099 6.564 9.314 1.00 25.44 H new ATOM 0 HG11 VAL A 72 6.935 6.563 6.983 1.00 31.33 H new ATOM 0 HG12 VAL A 72 5.489 7.585 7.163 1.00 31.33 H new ATOM 0 HG13 VAL A 72 7.099 8.334 7.052 1.00 31.33 H new ATOM 0 HG21 VAL A 72 8.504 6.294 8.823 1.00 14.41 H new ATOM 0 HG22 VAL A 72 8.718 8.057 8.943 1.00 14.41 H new ATOM 0 HG23 VAL A 72 8.236 7.119 10.377 1.00 14.41 H new ATOM 1067 N ASN A 73 4.852 8.594 11.657 1.00 13.40 N ATOM 1068 CA ASN A 73 4.604 8.486 13.111 1.00 31.21 C ATOM 1069 C ASN A 73 5.341 9.586 13.861 1.00 23.13 C ATOM 1070 O ASN A 73 5.811 9.391 14.986 1.00 51.25 O ATOM 1071 CB ASN A 73 4.988 7.091 13.647 1.00 2.43 C ATOM 1072 CG ASN A 73 4.087 5.994 13.117 1.00 14.54 C ATOM 1073 OD1 ASN A 73 2.916 6.226 12.833 1.00 52.13 O ATOM 1074 ND2 ASN A 73 4.608 4.803 12.992 1.00 70.21 N ATOM 0 H ASN A 73 4.000 8.703 11.107 1.00 13.40 H new ATOM 0 HA ASN A 73 3.535 8.614 13.281 1.00 31.21 H new ATOM 0 HB2 ASN A 73 6.020 6.872 13.373 1.00 2.43 H new ATOM 0 HB3 ASN A 73 4.942 7.099 14.736 1.00 2.43 H new ATOM 0 HD21 ASN A 73 4.037 4.030 12.649 1.00 70.21 H new ATOM 0 HD22 ASN A 73 5.585 4.646 13.237 1.00 70.21 H new ATOM 1081 N ASN A 74 5.399 10.758 13.214 1.00 51.05 N ATOM 1082 CA ASN A 74 6.081 11.975 13.709 1.00 74.44 C ATOM 1083 C ASN A 74 7.609 11.730 13.800 1.00 24.31 C ATOM 1084 O ASN A 74 8.339 12.408 14.513 1.00 23.14 O ATOM 1085 CB ASN A 74 5.483 12.435 15.070 1.00 74.11 C ATOM 1086 CG ASN A 74 5.730 13.918 15.403 1.00 74.11 C ATOM 1087 OD1 ASN A 74 6.728 14.530 15.004 1.00 40.21 O ATOM 1088 ND2 ASN A 74 4.811 14.508 16.129 1.00 10.32 N ATOM 0 H ASN A 74 4.961 10.896 12.303 1.00 51.05 H new ATOM 0 HA ASN A 74 5.914 12.786 13.000 1.00 74.44 H new ATOM 0 HB2 ASN A 74 4.409 12.251 15.062 1.00 74.11 H new ATOM 0 HB3 ASN A 74 5.906 11.821 15.865 1.00 74.11 H new ATOM 0 HD21 ASN A 74 4.911 15.493 16.376 1.00 10.32 H new ATOM 0 HD22 ASN A 74 3.997 13.982 16.446 1.00 10.32 H new ATOM 1095 N ALA A 75 8.083 10.780 13.037 1.00 73.04 N ATOM 1096 CA ALA A 75 9.489 10.451 12.995 1.00 11.35 C ATOM 1097 C ALA A 75 9.996 10.639 11.576 1.00 71.31 C ATOM 1098 O ALA A 75 9.428 10.075 10.631 1.00 52.14 O ATOM 1099 CB ALA A 75 9.717 9.015 13.461 1.00 30.22 C ATOM 0 H ALA A 75 7.503 10.208 12.423 1.00 73.04 H new ATOM 0 HA ALA A 75 10.038 11.111 13.667 1.00 11.35 H new ATOM 0 HB1 ALA A 75 10.782 8.785 13.423 1.00 30.22 H new ATOM 0 HB2 ALA A 75 9.358 8.903 14.484 1.00 30.22 H new ATOM 0 HB3 ALA A 75 9.174 8.330 12.809 1.00 30.22 H new ATOM 1105 N PRO A 76 11.003 11.486 11.369 1.00 4.10 N ATOM 1106 CA PRO A 76 11.540 11.696 10.043 1.00 1.14 C ATOM 1107 C PRO A 76 12.587 10.638 9.679 1.00 54.21 C ATOM 1108 O PRO A 76 13.591 10.445 10.386 1.00 31.41 O ATOM 1109 CB PRO A 76 12.153 13.095 10.133 1.00 71.43 C ATOM 1110 CG PRO A 76 12.538 13.266 11.576 1.00 2.10 C ATOM 1111 CD PRO A 76 11.670 12.325 12.388 1.00 71.25 C ATOM 0 HA PRO A 76 10.785 11.613 9.261 1.00 1.14 H new ATOM 0 HB2 PRO A 76 13.021 13.187 9.480 1.00 71.43 H new ATOM 0 HB3 PRO A 76 11.439 13.858 9.823 1.00 71.43 H new ATOM 0 HG2 PRO A 76 13.594 13.037 11.722 1.00 2.10 H new ATOM 0 HG3 PRO A 76 12.388 14.298 11.894 1.00 2.10 H new ATOM 0 HD2 PRO A 76 12.267 11.723 13.073 1.00 71.25 H new ATOM 0 HD3 PRO A 76 10.946 12.871 12.992 1.00 71.25 H new ATOM 1119 N VAL A 77 12.349 9.970 8.578 1.00 72.11 N ATOM 1120 CA VAL A 77 13.205 8.907 8.073 1.00 60.34 C ATOM 1121 C VAL A 77 13.204 8.991 6.555 1.00 51.05 C ATOM 1122 O VAL A 77 12.539 9.864 5.990 1.00 53.42 O ATOM 1123 CB VAL A 77 12.705 7.478 8.498 1.00 44.11 C ATOM 1124 CG1 VAL A 77 12.706 7.292 10.012 1.00 61.32 C ATOM 1125 CG2 VAL A 77 11.323 7.195 7.930 1.00 63.44 C ATOM 0 H VAL A 77 11.536 10.149 7.988 1.00 72.11 H new ATOM 0 HA VAL A 77 14.202 9.042 8.492 1.00 60.34 H new ATOM 0 HB VAL A 77 13.411 6.760 8.081 1.00 44.11 H new ATOM 0 HG11 VAL A 77 12.353 6.290 10.256 1.00 61.32 H new ATOM 0 HG12 VAL A 77 13.718 7.423 10.394 1.00 61.32 H new ATOM 0 HG13 VAL A 77 12.047 8.030 10.470 1.00 61.32 H new ATOM 0 HG21 VAL A 77 11.000 6.201 8.238 1.00 63.44 H new ATOM 0 HG22 VAL A 77 10.617 7.938 8.302 1.00 63.44 H new ATOM 0 HG23 VAL A 77 11.360 7.243 6.842 1.00 63.44 H new ATOM 1135 N GLN A 78 13.918 8.119 5.903 1.00 10.21 N ATOM 1136 CA GLN A 78 13.944 8.119 4.457 1.00 25.31 C ATOM 1137 C GLN A 78 13.090 6.973 3.925 1.00 14.41 C ATOM 1138 O GLN A 78 12.381 7.118 2.923 1.00 60.53 O ATOM 1139 CB GLN A 78 15.380 8.012 3.947 1.00 21.20 C ATOM 1140 CG GLN A 78 16.295 9.094 4.508 1.00 23.12 C ATOM 1141 CD GLN A 78 17.702 9.032 3.959 1.00 3.11 C ATOM 1142 OE1 GLN A 78 17.924 8.634 2.815 1.00 23.44 O ATOM 1143 NE2 GLN A 78 18.664 9.394 4.771 1.00 71.42 N ATOM 0 H GLN A 78 14.491 7.398 6.342 1.00 10.21 H new ATOM 0 HA GLN A 78 13.530 9.059 4.094 1.00 25.31 H new ATOM 0 HB2 GLN A 78 15.781 7.033 4.210 1.00 21.20 H new ATOM 0 HB3 GLN A 78 15.378 8.074 2.859 1.00 21.20 H new ATOM 0 HG2 GLN A 78 15.868 10.072 4.285 1.00 23.12 H new ATOM 0 HG3 GLN A 78 16.332 9.002 5.593 1.00 23.12 H new ATOM 0 HE21 GLN A 78 18.442 9.719 5.712 1.00 71.42 H new ATOM 0 HE22 GLN A 78 19.635 9.351 4.462 1.00 71.42 H new ATOM 1152 N GLU A 79 13.132 5.855 4.619 1.00 24.34 N ATOM 1153 CA GLU A 79 12.378 4.688 4.234 1.00 44.43 C ATOM 1154 C GLU A 79 11.685 4.115 5.463 1.00 5.33 C ATOM 1155 O GLU A 79 12.172 4.281 6.588 1.00 53.50 O ATOM 1156 CB GLU A 79 13.301 3.649 3.598 1.00 52.23 C ATOM 1157 CG GLU A 79 14.378 3.125 4.531 1.00 52.31 C ATOM 1158 CD GLU A 79 15.307 2.166 3.861 1.00 62.13 C ATOM 1159 OE1 GLU A 79 14.840 1.122 3.361 1.00 14.31 O ATOM 1160 OE2 GLU A 79 16.524 2.412 3.851 1.00 43.21 O ATOM 0 H GLU A 79 13.690 5.733 5.464 1.00 24.34 H new ATOM 0 HA GLU A 79 11.625 4.965 3.496 1.00 44.43 H new ATOM 0 HB2 GLU A 79 12.700 2.810 3.247 1.00 52.23 H new ATOM 0 HB3 GLU A 79 13.777 4.089 2.722 1.00 52.23 H new ATOM 0 HG2 GLU A 79 14.951 3.964 4.925 1.00 52.31 H new ATOM 0 HG3 GLU A 79 13.907 2.633 5.382 1.00 52.31 H new ATOM 1167 N TRP A 80 10.570 3.469 5.259 1.00 0.13 N ATOM 1168 CA TRP A 80 9.767 2.918 6.330 1.00 53.33 C ATOM 1169 C TRP A 80 8.857 1.871 5.736 1.00 60.21 C ATOM 1170 O TRP A 80 8.580 1.915 4.562 1.00 41.33 O ATOM 1171 CB TRP A 80 8.947 4.066 6.959 1.00 1.42 C ATOM 1172 CG TRP A 80 8.038 3.715 8.102 1.00 1.43 C ATOM 1173 CD1 TRP A 80 6.717 3.393 8.028 1.00 74.43 C ATOM 1174 CD2 TRP A 80 8.371 3.718 9.491 1.00 41.22 C ATOM 1175 NE1 TRP A 80 6.211 3.170 9.279 1.00 41.32 N ATOM 1176 CE2 TRP A 80 7.206 3.370 10.197 1.00 3.02 C ATOM 1177 CE3 TRP A 80 9.547 3.973 10.206 1.00 33.43 C ATOM 1178 CZ2 TRP A 80 7.181 3.276 11.582 1.00 23.12 C ATOM 1179 CZ3 TRP A 80 9.515 3.882 11.583 1.00 5.24 C ATOM 1180 CH2 TRP A 80 8.339 3.536 12.253 1.00 73.04 C ATOM 0 H TRP A 80 10.182 3.305 4.330 1.00 0.13 H new ATOM 0 HA TRP A 80 10.384 2.460 7.103 1.00 53.33 H new ATOM 0 HB2 TRP A 80 9.644 4.829 7.304 1.00 1.42 H new ATOM 0 HB3 TRP A 80 8.342 4.519 6.173 1.00 1.42 H new ATOM 0 HD1 TRP A 80 6.149 3.324 7.112 1.00 74.43 H new ATOM 0 HE1 TRP A 80 5.251 2.899 9.492 1.00 41.32 H new ATOM 0 HE3 TRP A 80 10.460 4.235 9.691 1.00 33.43 H new ATOM 0 HZ2 TRP A 80 6.277 3.007 12.109 1.00 23.12 H new ATOM 0 HZ3 TRP A 80 10.412 4.081 12.151 1.00 5.24 H new ATOM 0 HH2 TRP A 80 8.347 3.473 13.331 1.00 73.04 H new ATOM 1191 N GLN A 81 8.467 0.910 6.489 1.00 43.30 N ATOM 1192 CA GLN A 81 7.497 -0.028 6.003 1.00 62.13 C ATOM 1193 C GLN A 81 6.175 0.164 6.726 1.00 63.13 C ATOM 1194 O GLN A 81 6.084 0.007 7.941 1.00 0.53 O ATOM 1195 CB GLN A 81 8.043 -1.482 5.929 1.00 73.20 C ATOM 1196 CG GLN A 81 8.601 -2.090 7.213 1.00 54.03 C ATOM 1197 CD GLN A 81 7.559 -2.676 8.133 1.00 44.15 C ATOM 1198 OE1 GLN A 81 6.517 -3.164 7.697 1.00 71.11 O ATOM 1199 NE2 GLN A 81 7.833 -2.644 9.401 1.00 33.31 N ATOM 0 H GLN A 81 8.796 0.744 7.440 1.00 43.30 H new ATOM 0 HA GLN A 81 7.282 0.183 4.955 1.00 62.13 H new ATOM 0 HB2 GLN A 81 7.239 -2.126 5.574 1.00 73.20 H new ATOM 0 HB3 GLN A 81 8.829 -1.508 5.175 1.00 73.20 H new ATOM 0 HG2 GLN A 81 9.315 -2.870 6.950 1.00 54.03 H new ATOM 0 HG3 GLN A 81 9.154 -1.321 7.754 1.00 54.03 H new ATOM 0 HE21 GLN A 81 8.708 -2.231 9.723 1.00 33.31 H new ATOM 0 HE22 GLN A 81 7.173 -3.032 10.075 1.00 33.31 H new ATOM 1208 N LEU A 82 5.195 0.609 5.966 1.00 51.52 N ATOM 1209 CA LEU A 82 3.876 0.993 6.467 1.00 24.12 C ATOM 1210 C LEU A 82 3.156 -0.157 7.136 1.00 34.15 C ATOM 1211 O LEU A 82 2.984 -1.232 6.541 1.00 45.41 O ATOM 1212 CB LEU A 82 3.004 1.467 5.309 1.00 62.01 C ATOM 1213 CG LEU A 82 3.552 2.601 4.460 1.00 61.22 C ATOM 1214 CD1 LEU A 82 2.608 2.912 3.313 1.00 22.34 C ATOM 1215 CD2 LEU A 82 3.778 3.831 5.303 1.00 11.44 C ATOM 0 H LEU A 82 5.289 0.719 4.956 1.00 51.52 H new ATOM 0 HA LEU A 82 4.038 1.784 7.200 1.00 24.12 H new ATOM 0 HB2 LEU A 82 2.813 0.615 4.656 1.00 62.01 H new ATOM 0 HB3 LEU A 82 2.042 1.780 5.714 1.00 62.01 H new ATOM 0 HG LEU A 82 4.509 2.286 4.044 1.00 61.22 H new ATOM 0 HD11 LEU A 82 3.017 3.727 2.716 1.00 22.34 H new ATOM 0 HD12 LEU A 82 2.491 2.027 2.688 1.00 22.34 H new ATOM 0 HD13 LEU A 82 1.637 3.206 3.711 1.00 22.34 H new ATOM 0 HD21 LEU A 82 4.171 4.633 4.678 1.00 11.44 H new ATOM 0 HD22 LEU A 82 2.834 4.146 5.747 1.00 11.44 H new ATOM 0 HD23 LEU A 82 4.493 3.604 6.094 1.00 11.44 H new ATOM 1227 N ALA A 83 2.733 0.070 8.344 1.00 71.13 N ATOM 1228 CA ALA A 83 1.920 -0.862 9.063 1.00 3.13 C ATOM 1229 C ALA A 83 0.605 -0.187 9.410 1.00 33.35 C ATOM 1230 O ALA A 83 0.510 1.049 9.389 1.00 22.31 O ATOM 1231 CB ALA A 83 2.628 -1.350 10.311 1.00 72.31 C ATOM 0 H ALA A 83 2.947 0.921 8.864 1.00 71.13 H new ATOM 0 HA ALA A 83 1.729 -1.737 8.442 1.00 3.13 H new ATOM 0 HB1 ALA A 83 1.988 -2.057 10.839 1.00 72.31 H new ATOM 0 HB2 ALA A 83 3.560 -1.842 10.032 1.00 72.31 H new ATOM 0 HB3 ALA A 83 2.846 -0.502 10.961 1.00 72.31 H new ATOM 1237 N ASP A 84 -0.402 -0.976 9.707 1.00 74.43 N ATOM 1238 CA ASP A 84 -1.730 -0.457 10.027 1.00 75.23 C ATOM 1239 C ASP A 84 -1.693 0.423 11.275 1.00 62.24 C ATOM 1240 O ASP A 84 -1.281 -0.016 12.358 1.00 43.31 O ATOM 1241 CB ASP A 84 -2.726 -1.605 10.202 1.00 61.44 C ATOM 1242 CG ASP A 84 -4.131 -1.139 10.535 1.00 32.40 C ATOM 1243 OD1 ASP A 84 -4.811 -0.591 9.655 1.00 72.45 O ATOM 1244 OD2 ASP A 84 -4.594 -1.375 11.673 1.00 61.23 O ATOM 0 H ASP A 84 -0.334 -1.993 9.736 1.00 74.43 H new ATOM 0 HA ASP A 84 -2.060 0.163 9.193 1.00 75.23 H new ATOM 0 HB2 ASP A 84 -2.754 -2.194 9.285 1.00 61.44 H new ATOM 0 HB3 ASP A 84 -2.373 -2.265 10.994 1.00 61.44 H new ATOM 1249 N GLY A 85 -2.071 1.664 11.104 1.00 0.22 N ATOM 1250 CA GLY A 85 -2.079 2.600 12.190 1.00 73.10 C ATOM 1251 C GLY A 85 -0.957 3.613 12.099 1.00 40.23 C ATOM 1252 O GLY A 85 -0.826 4.469 12.973 1.00 63.54 O ATOM 0 H GLY A 85 -2.380 2.049 10.211 1.00 0.22 H new ATOM 0 HA2 GLY A 85 -3.035 3.124 12.205 1.00 73.10 H new ATOM 0 HA3 GLY A 85 -1.997 2.058 13.132 1.00 73.10 H new ATOM 1256 N ASP A 86 -0.137 3.521 11.062 1.00 64.11 N ATOM 1257 CA ASP A 86 0.956 4.492 10.892 1.00 31.23 C ATOM 1258 C ASP A 86 0.444 5.833 10.428 1.00 2.54 C ATOM 1259 O ASP A 86 -0.451 5.907 9.567 1.00 11.54 O ATOM 1260 CB ASP A 86 2.072 4.011 9.946 1.00 60.14 C ATOM 1261 CG ASP A 86 2.974 2.961 10.542 1.00 61.54 C ATOM 1262 OD1 ASP A 86 3.089 2.880 11.788 1.00 71.13 O ATOM 1263 OD2 ASP A 86 3.628 2.218 9.776 1.00 35.22 O ATOM 0 H ASP A 86 -0.196 2.806 10.337 1.00 64.11 H new ATOM 0 HA ASP A 86 1.396 4.594 11.884 1.00 31.23 H new ATOM 0 HB2 ASP A 86 1.618 3.612 9.039 1.00 60.14 H new ATOM 0 HB3 ASP A 86 2.677 4.868 9.649 1.00 60.14 H new ATOM 1268 N VAL A 87 0.996 6.881 11.001 1.00 53.21 N ATOM 1269 CA VAL A 87 0.637 8.246 10.661 1.00 23.44 C ATOM 1270 C VAL A 87 1.666 8.796 9.694 1.00 15.33 C ATOM 1271 O VAL A 87 2.816 8.973 10.043 1.00 41.33 O ATOM 1272 CB VAL A 87 0.620 9.169 11.917 1.00 2.03 C ATOM 1273 CG1 VAL A 87 0.100 10.562 11.565 1.00 62.23 C ATOM 1274 CG2 VAL A 87 -0.197 8.556 13.039 1.00 41.21 C ATOM 0 H VAL A 87 1.713 6.812 11.723 1.00 53.21 H new ATOM 0 HA VAL A 87 -0.361 8.230 10.223 1.00 23.44 H new ATOM 0 HB VAL A 87 1.647 9.269 12.268 1.00 2.03 H new ATOM 0 HG11 VAL A 87 0.098 11.186 12.459 1.00 62.23 H new ATOM 0 HG12 VAL A 87 0.745 11.011 10.810 1.00 62.23 H new ATOM 0 HG13 VAL A 87 -0.915 10.484 11.175 1.00 62.23 H new ATOM 0 HG21 VAL A 87 -0.190 9.223 13.901 1.00 41.21 H new ATOM 0 HG22 VAL A 87 -1.223 8.408 12.703 1.00 41.21 H new ATOM 0 HG23 VAL A 87 0.234 7.595 13.320 1.00 41.21 H new ATOM 1284 N ILE A 88 1.264 9.047 8.512 1.00 32.41 N ATOM 1285 CA ILE A 88 2.129 9.596 7.513 1.00 14.41 C ATOM 1286 C ILE A 88 1.773 11.079 7.368 1.00 65.55 C ATOM 1287 O ILE A 88 0.646 11.426 7.033 1.00 74.02 O ATOM 1288 CB ILE A 88 2.005 8.808 6.147 1.00 24.33 C ATOM 1289 CG1 ILE A 88 2.743 7.438 6.180 1.00 43.33 C ATOM 1290 CG2 ILE A 88 2.510 9.617 4.972 1.00 50.11 C ATOM 1291 CD1 ILE A 88 2.262 6.434 7.210 1.00 22.33 C ATOM 0 H ILE A 88 0.310 8.879 8.192 1.00 32.41 H new ATOM 0 HA ILE A 88 3.173 9.498 7.810 1.00 14.41 H new ATOM 0 HB ILE A 88 0.939 8.624 6.017 1.00 24.33 H new ATOM 0 HG12 ILE A 88 2.659 6.982 5.194 1.00 43.33 H new ATOM 0 HG13 ILE A 88 3.802 7.625 6.355 1.00 43.33 H new ATOM 0 HG21 ILE A 88 2.404 9.034 4.057 1.00 50.11 H new ATOM 0 HG22 ILE A 88 1.929 10.536 4.886 1.00 50.11 H new ATOM 0 HG23 ILE A 88 3.560 9.865 5.125 1.00 50.11 H new ATOM 0 HD11 ILE A 88 2.854 5.522 7.133 1.00 22.33 H new ATOM 0 HD12 ILE A 88 2.374 6.856 8.209 1.00 22.33 H new ATOM 0 HD13 ILE A 88 1.212 6.202 7.029 1.00 22.33 H new ATOM 1303 N ARG A 89 2.702 11.935 7.687 1.00 22.20 N ATOM 1304 CA ARG A 89 2.449 13.358 7.688 1.00 11.43 C ATOM 1305 C ARG A 89 3.297 14.005 6.604 1.00 33.13 C ATOM 1306 O ARG A 89 4.521 13.884 6.608 1.00 13.32 O ATOM 1307 CB ARG A 89 2.783 13.931 9.096 1.00 32.01 C ATOM 1308 CG ARG A 89 2.153 15.298 9.457 1.00 32.24 C ATOM 1309 CD ARG A 89 2.684 16.466 8.635 1.00 35.54 C ATOM 1310 NE ARG A 89 4.128 16.679 8.823 1.00 60.31 N ATOM 1311 CZ ARG A 89 4.853 17.610 8.180 1.00 1.50 C ATOM 1312 NH1 ARG A 89 4.262 18.474 7.358 1.00 64.13 N ATOM 1313 NH2 ARG A 89 6.162 17.689 8.386 1.00 60.14 N ATOM 0 H ARG A 89 3.652 11.674 7.953 1.00 22.20 H new ATOM 0 HA ARG A 89 1.401 13.569 7.476 1.00 11.43 H new ATOM 0 HB2 ARG A 89 2.468 13.203 9.843 1.00 32.01 H new ATOM 0 HB3 ARG A 89 3.866 14.023 9.178 1.00 32.01 H new ATOM 0 HG2 ARG A 89 1.073 15.235 9.323 1.00 32.24 H new ATOM 0 HG3 ARG A 89 2.332 15.500 10.513 1.00 32.24 H new ATOM 0 HD2 ARG A 89 2.481 16.285 7.579 1.00 35.54 H new ATOM 0 HD3 ARG A 89 2.147 17.374 8.911 1.00 35.54 H new ATOM 0 HE ARG A 89 4.613 16.077 9.489 1.00 60.31 H new ATOM 0 HH11 ARG A 89 3.253 18.432 7.213 1.00 64.13 H new ATOM 0 HH12 ARG A 89 4.818 19.178 6.873 1.00 64.13 H new ATOM 0 HH21 ARG A 89 6.617 17.043 9.032 1.00 60.14 H new ATOM 0 HH22 ARG A 89 6.713 18.395 7.898 1.00 60.14 H new ATOM 1327 N LEU A 90 2.648 14.667 5.692 1.00 64.25 N ATOM 1328 CA LEU A 90 3.301 15.351 4.596 1.00 72.22 C ATOM 1329 C LEU A 90 2.966 16.817 4.682 1.00 25.44 C ATOM 1330 O LEU A 90 2.039 17.191 5.408 1.00 34.23 O ATOM 1331 CB LEU A 90 2.878 14.789 3.207 1.00 11.13 C ATOM 1332 CG LEU A 90 1.364 14.769 2.852 1.00 72.11 C ATOM 1333 CD1 LEU A 90 1.202 14.652 1.353 1.00 61.20 C ATOM 1334 CD2 LEU A 90 0.679 13.570 3.495 1.00 23.12 C ATOM 0 H LEU A 90 1.632 14.753 5.682 1.00 64.25 H new ATOM 0 HA LEU A 90 4.376 15.192 4.685 1.00 72.22 H new ATOM 0 HB2 LEU A 90 3.392 15.371 2.442 1.00 11.13 H new ATOM 0 HB3 LEU A 90 3.251 13.767 3.134 1.00 11.13 H new ATOM 0 HG LEU A 90 0.913 15.690 3.221 1.00 72.11 H new ATOM 0 HD11 LEU A 90 0.141 14.638 1.102 1.00 61.20 H new ATOM 0 HD12 LEU A 90 1.678 15.504 0.868 1.00 61.20 H new ATOM 0 HD13 LEU A 90 1.669 13.730 1.007 1.00 61.20 H new ATOM 0 HD21 LEU A 90 -0.380 13.573 3.235 1.00 23.12 H new ATOM 0 HD22 LEU A 90 1.139 12.651 3.132 1.00 23.12 H new ATOM 0 HD23 LEU A 90 0.787 13.627 4.578 1.00 23.12 H new ATOM 1346 N GLY A 91 3.713 17.657 4.008 1.00 32.15 N ATOM 1347 CA GLY A 91 3.379 19.057 4.024 1.00 70.31 C ATOM 1348 C GLY A 91 2.215 19.335 3.118 1.00 44.43 C ATOM 1349 O GLY A 91 2.401 19.667 1.941 1.00 31.42 O ATOM 0 H GLY A 91 4.533 17.405 3.457 1.00 32.15 H new ATOM 0 HA2 GLY A 91 3.137 19.367 5.041 1.00 70.31 H new ATOM 0 HA3 GLY A 91 4.241 19.645 3.708 1.00 70.31 H new ATOM 1353 N HIS A 92 1.026 19.189 3.680 1.00 53.12 N ATOM 1354 CA HIS A 92 -0.264 19.384 3.021 1.00 54.03 C ATOM 1355 C HIS A 92 -1.353 18.840 3.930 1.00 3.14 C ATOM 1356 O HIS A 92 -2.351 19.504 4.191 1.00 24.13 O ATOM 1357 CB HIS A 92 -0.337 18.672 1.630 1.00 41.42 C ATOM 1358 CG HIS A 92 -1.667 18.802 0.922 1.00 64.42 C ATOM 1359 ND1 HIS A 92 -2.100 19.942 0.287 1.00 11.55 N ATOM 1360 CD2 HIS A 92 -2.672 17.908 0.794 1.00 13.33 C ATOM 1361 CE1 HIS A 92 -3.324 19.717 -0.181 1.00 44.22 C ATOM 1362 NE2 HIS A 92 -3.718 18.490 0.098 1.00 41.35 N ATOM 0 H HIS A 92 0.925 18.917 4.658 1.00 53.12 H new ATOM 0 HA HIS A 92 -0.398 20.451 2.841 1.00 54.03 H new ATOM 0 HB2 HIS A 92 0.443 19.080 0.987 1.00 41.42 H new ATOM 0 HB3 HIS A 92 -0.116 17.614 1.767 1.00 41.42 H new ATOM 0 HD1 HIS A 92 -1.573 20.810 0.191 1.00 11.55 H new ATOM 0 HD2 HIS A 92 -2.661 16.897 1.175 1.00 13.33 H new ATOM 0 HE1 HIS A 92 -3.917 20.443 -0.718 1.00 44.22 H new ATOM 1370 N SER A 93 -1.135 17.643 4.424 1.00 22.11 N ATOM 1371 CA SER A 93 -2.107 16.945 5.225 1.00 50.14 C ATOM 1372 C SER A 93 -1.467 15.724 5.891 1.00 54.31 C ATOM 1373 O SER A 93 -0.239 15.552 5.850 1.00 10.22 O ATOM 1374 CB SER A 93 -3.243 16.503 4.305 1.00 23.41 C ATOM 1375 OG SER A 93 -2.742 15.758 3.206 1.00 31.45 O ATOM 0 H SER A 93 -0.269 17.124 4.278 1.00 22.11 H new ATOM 0 HA SER A 93 -2.486 17.599 6.011 1.00 50.14 H new ATOM 0 HB2 SER A 93 -3.956 15.898 4.865 1.00 23.41 H new ATOM 0 HB3 SER A 93 -3.783 17.377 3.941 1.00 23.41 H new ATOM 0 HG SER A 93 -2.431 14.883 3.519 1.00 31.45 H new ATOM 1381 N GLU A 94 -2.279 14.898 6.499 1.00 62.01 N ATOM 1382 CA GLU A 94 -1.815 13.678 7.090 1.00 13.53 C ATOM 1383 C GLU A 94 -2.669 12.512 6.614 1.00 11.50 C ATOM 1384 O GLU A 94 -3.857 12.679 6.263 1.00 55.31 O ATOM 1385 CB GLU A 94 -1.781 13.776 8.616 1.00 20.31 C ATOM 1386 CG GLU A 94 -3.091 14.201 9.231 1.00 55.50 C ATOM 1387 CD GLU A 94 -3.019 14.318 10.721 1.00 22.14 C ATOM 1388 OE1 GLU A 94 -2.387 15.272 11.228 1.00 44.15 O ATOM 1389 OE2 GLU A 94 -3.642 13.498 11.416 1.00 5.31 O ATOM 0 H GLU A 94 -3.282 15.056 6.596 1.00 62.01 H new ATOM 0 HA GLU A 94 -0.789 13.501 6.766 1.00 13.53 H new ATOM 0 HB2 GLU A 94 -1.496 12.807 9.026 1.00 20.31 H new ATOM 0 HB3 GLU A 94 -1.007 14.486 8.907 1.00 20.31 H new ATOM 0 HG2 GLU A 94 -3.391 15.160 8.810 1.00 55.50 H new ATOM 0 HG3 GLU A 94 -3.864 13.480 8.964 1.00 55.50 H new ATOM 1396 N ILE A 95 -2.063 11.370 6.573 1.00 14.54 N ATOM 1397 CA ILE A 95 -2.665 10.166 6.101 1.00 23.50 C ATOM 1398 C ILE A 95 -2.403 9.011 7.069 1.00 41.24 C ATOM 1399 O ILE A 95 -1.336 8.918 7.662 1.00 54.42 O ATOM 1400 CB ILE A 95 -2.241 9.871 4.585 1.00 23.05 C ATOM 1401 CG1 ILE A 95 -2.407 8.399 4.119 1.00 63.23 C ATOM 1402 CG2 ILE A 95 -0.861 10.394 4.251 1.00 31.33 C ATOM 1403 CD1 ILE A 95 -1.319 7.421 4.582 1.00 72.40 C ATOM 0 H ILE A 95 -1.098 11.246 6.879 1.00 14.54 H new ATOM 0 HA ILE A 95 -3.748 10.286 6.079 1.00 23.50 H new ATOM 0 HB ILE A 95 -2.973 10.437 4.009 1.00 23.05 H new ATOM 0 HG12 ILE A 95 -3.371 8.033 4.472 1.00 63.23 H new ATOM 0 HG13 ILE A 95 -2.441 8.385 3.030 1.00 63.23 H new ATOM 0 HG21 ILE A 95 -0.627 10.166 3.211 1.00 31.33 H new ATOM 0 HG22 ILE A 95 -0.835 11.473 4.400 1.00 31.33 H new ATOM 0 HG23 ILE A 95 -0.125 9.920 4.901 1.00 31.33 H new ATOM 0 HD11 ILE A 95 -1.538 6.425 4.198 1.00 72.40 H new ATOM 0 HD12 ILE A 95 -0.350 7.750 4.206 1.00 72.40 H new ATOM 0 HD13 ILE A 95 -1.295 7.393 5.671 1.00 72.40 H new ATOM 1415 N ILE A 96 -3.390 8.167 7.236 1.00 33.34 N ATOM 1416 CA ILE A 96 -3.314 7.021 8.119 1.00 12.14 C ATOM 1417 C ILE A 96 -3.282 5.757 7.270 1.00 32.22 C ATOM 1418 O ILE A 96 -4.108 5.599 6.366 1.00 64.30 O ATOM 1419 CB ILE A 96 -4.566 6.951 9.041 1.00 11.40 C ATOM 1420 CG1 ILE A 96 -4.754 8.266 9.800 1.00 73.31 C ATOM 1421 CG2 ILE A 96 -4.443 5.781 10.028 1.00 34.44 C ATOM 1422 CD1 ILE A 96 -6.037 8.332 10.601 1.00 41.11 C ATOM 0 H ILE A 96 -4.286 8.255 6.756 1.00 33.34 H new ATOM 0 HA ILE A 96 -2.419 7.111 8.734 1.00 12.14 H new ATOM 0 HB ILE A 96 -5.442 6.787 8.413 1.00 11.40 H new ATOM 0 HG12 ILE A 96 -3.909 8.410 10.473 1.00 73.31 H new ATOM 0 HG13 ILE A 96 -4.739 9.091 9.088 1.00 73.31 H new ATOM 0 HG21 ILE A 96 -5.327 5.748 10.665 1.00 34.44 H new ATOM 0 HG22 ILE A 96 -4.359 4.846 9.475 1.00 34.44 H new ATOM 0 HG23 ILE A 96 -3.556 5.918 10.646 1.00 34.44 H new ATOM 0 HD11 ILE A 96 -6.099 9.294 11.111 1.00 41.11 H new ATOM 0 HD12 ILE A 96 -6.890 8.221 9.932 1.00 41.11 H new ATOM 0 HD13 ILE A 96 -6.047 7.529 11.338 1.00 41.11 H new ATOM 1434 N VAL A 97 -2.339 4.889 7.523 1.00 14.42 N ATOM 1435 CA VAL A 97 -2.274 3.629 6.817 1.00 42.45 C ATOM 1436 C VAL A 97 -3.207 2.622 7.456 1.00 71.51 C ATOM 1437 O VAL A 97 -3.135 2.369 8.657 1.00 14.02 O ATOM 1438 CB VAL A 97 -0.832 3.084 6.736 1.00 20.23 C ATOM 1439 CG1 VAL A 97 -0.813 1.640 6.254 1.00 33.42 C ATOM 1440 CG2 VAL A 97 -0.054 3.933 5.771 1.00 22.31 C ATOM 0 H VAL A 97 -1.602 5.028 8.214 1.00 14.42 H new ATOM 0 HA VAL A 97 -2.600 3.804 5.792 1.00 42.45 H new ATOM 0 HB VAL A 97 -0.389 3.117 7.731 1.00 20.23 H new ATOM 0 HG11 VAL A 97 0.217 1.285 6.208 1.00 33.42 H new ATOM 0 HG12 VAL A 97 -1.380 1.018 6.946 1.00 33.42 H new ATOM 0 HG13 VAL A 97 -1.262 1.581 5.262 1.00 33.42 H new ATOM 0 HG21 VAL A 97 0.968 3.561 5.702 1.00 22.31 H new ATOM 0 HG22 VAL A 97 -0.523 3.890 4.788 1.00 22.31 H new ATOM 0 HG23 VAL A 97 -0.042 4.965 6.122 1.00 22.31 H new ATOM 1450 N ARG A 98 -4.091 2.090 6.660 1.00 54.34 N ATOM 1451 CA ARG A 98 -5.084 1.152 7.106 1.00 14.23 C ATOM 1452 C ARG A 98 -4.990 -0.124 6.315 1.00 12.31 C ATOM 1453 O ARG A 98 -4.820 -0.099 5.107 1.00 64.33 O ATOM 1454 CB ARG A 98 -6.463 1.786 6.966 1.00 23.24 C ATOM 1455 CG ARG A 98 -6.683 2.930 7.938 1.00 12.33 C ATOM 1456 CD ARG A 98 -6.912 2.396 9.339 1.00 51.00 C ATOM 1457 NE ARG A 98 -8.219 1.740 9.414 1.00 31.04 N ATOM 1458 CZ ARG A 98 -8.453 0.454 9.708 1.00 54.32 C ATOM 1459 NH1 ARG A 98 -7.456 -0.398 9.957 1.00 14.44 N ATOM 1460 NH2 ARG A 98 -9.699 0.020 9.719 1.00 44.44 N ATOM 0 H ARG A 98 -4.143 2.300 5.663 1.00 54.34 H new ATOM 0 HA ARG A 98 -4.913 0.903 8.153 1.00 14.23 H new ATOM 0 HB2 ARG A 98 -6.589 2.151 5.947 1.00 23.24 H new ATOM 0 HB3 ARG A 98 -7.226 1.025 7.128 1.00 23.24 H new ATOM 0 HG2 ARG A 98 -5.818 3.593 7.931 1.00 12.33 H new ATOM 0 HG3 ARG A 98 -7.541 3.523 7.623 1.00 12.33 H new ATOM 0 HD2 ARG A 98 -6.125 1.689 9.601 1.00 51.00 H new ATOM 0 HD3 ARG A 98 -6.862 3.211 10.061 1.00 51.00 H new ATOM 0 HE ARG A 98 -9.035 2.322 9.223 1.00 31.04 H new ATOM 0 HH11 ARG A 98 -6.489 -0.075 9.926 1.00 14.44 H new ATOM 0 HH12 ARG A 98 -7.661 -1.372 10.178 1.00 14.44 H new ATOM 0 HH21 ARG A 98 -10.464 0.660 9.506 1.00 44.44 H new ATOM 0 HH22 ARG A 98 -9.897 -0.956 9.940 1.00 44.44 H new ATOM 1474 N MET A 99 -5.048 -1.227 6.988 1.00 10.21 N ATOM 1475 CA MET A 99 -4.989 -2.507 6.333 1.00 2.25 C ATOM 1476 C MET A 99 -6.288 -3.247 6.472 1.00 54.01 C ATOM 1477 O MET A 99 -6.803 -3.449 7.580 1.00 34.31 O ATOM 1478 CB MET A 99 -3.825 -3.350 6.839 1.00 2.40 C ATOM 1479 CG MET A 99 -2.466 -2.809 6.443 1.00 11.51 C ATOM 1480 SD MET A 99 -1.103 -3.791 7.093 1.00 14.52 S ATOM 1481 CE MET A 99 0.286 -2.968 6.322 1.00 43.15 C ATOM 0 H MET A 99 -5.137 -1.274 8.003 1.00 10.21 H new ATOM 0 HA MET A 99 -4.818 -2.318 5.273 1.00 2.25 H new ATOM 0 HB2 MET A 99 -3.879 -3.413 7.926 1.00 2.40 H new ATOM 0 HB3 MET A 99 -3.929 -4.365 6.455 1.00 2.40 H new ATOM 0 HG2 MET A 99 -2.397 -2.776 5.356 1.00 11.51 H new ATOM 0 HG3 MET A 99 -2.371 -1.784 6.800 1.00 11.51 H new ATOM 0 HE1 MET A 99 1.214 -3.435 6.652 1.00 43.15 H new ATOM 0 HE2 MET A 99 0.203 -3.052 5.238 1.00 43.15 H new ATOM 0 HE3 MET A 99 0.289 -1.916 6.606 1.00 43.15 H new ATOM 1491 N HIS A 100 -6.824 -3.626 5.360 1.00 22.54 N ATOM 1492 CA HIS A 100 -8.058 -4.345 5.297 1.00 42.40 C ATOM 1493 C HIS A 100 -7.736 -5.754 4.873 1.00 23.12 C ATOM 1494 O HIS A 100 -7.811 -6.680 5.716 1.00 62.35 O ATOM 1495 CB HIS A 100 -9.029 -3.691 4.290 1.00 3.53 C ATOM 1496 CG HIS A 100 -9.339 -2.239 4.570 1.00 2.14 C ATOM 1497 ND1 HIS A 100 -10.546 -1.778 5.041 1.00 43.53 N ATOM 1498 CD2 HIS A 100 -8.568 -1.139 4.396 1.00 25.23 C ATOM 1499 CE1 HIS A 100 -10.476 -0.446 5.130 1.00 42.11 C ATOM 1500 NE2 HIS A 100 -9.289 -0.007 4.746 1.00 22.01 N ATOM 1501 OXT HIS A 100 -7.319 -5.936 3.711 1.00 36.64 O ATOM 0 H HIS A 100 -6.408 -3.441 4.447 1.00 22.54 H new ATOM 0 HA HIS A 100 -8.548 -4.335 6.270 1.00 42.40 H new ATOM 0 HB2 HIS A 100 -8.604 -3.772 3.290 1.00 3.53 H new ATOM 0 HB3 HIS A 100 -9.962 -4.254 4.286 1.00 3.53 H new ATOM 0 HD2 HIS A 100 -7.549 -1.143 4.040 1.00 25.23 H new ATOM 0 HE1 HIS A 100 -11.282 0.188 5.470 1.00 42.11 H new ATOM 0 HE2 HIS A 100 -8.970 0.961 4.714 1.00 22.01 H new