USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -168:sc= 0.35 (180deg=0.0943) USER MOD Single : A 1 LYS NZ :NH3+ -161:sc= -0.0158 (180deg=-0.373) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.82) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 158:sc= -0.122 (180deg=-0.714) USER MOD Single : B 43 LYS NZ :NH3+ 156:sc= -1.15 (180deg=-1.71) USER MOD Single : B 46 THR OG1 : rot 180:sc= -0.685! USER MOD Single : B 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 THR OG1 : rot -59:sc= 1.19 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 58 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.6!) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 164:sc= 0.285 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -20.645 7.191 -6.500 1.00 1.61 N ATOM 2 CA LYS A 1 -21.223 8.403 -5.852 1.00 0.97 C ATOM 3 C LYS A 1 -21.040 9.602 -6.793 1.00 0.57 C ATOM 4 O LYS A 1 -21.591 10.665 -6.584 1.00 1.10 O ATOM 5 CB LYS A 1 -20.491 8.650 -4.512 1.00 1.90 C ATOM 6 CG LYS A 1 -21.472 9.149 -3.442 1.00 1.99 C ATOM 7 CD LYS A 1 -22.088 10.481 -3.879 1.00 2.41 C ATOM 8 CE LYS A 1 -22.724 11.174 -2.671 1.00 3.14 C ATOM 9 NZ LYS A 1 -23.609 10.213 -1.952 1.00 3.88 N ATOM 0 H1 LYS A 1 -20.938 6.343 -5.974 1.00 1.61 H new ATOM 0 H2 LYS A 1 -20.986 7.126 -7.480 1.00 1.61 H new ATOM 0 H3 LYS A 1 -19.607 7.258 -6.498 1.00 1.61 H new ATOM 0 HA LYS A 1 -22.286 8.264 -5.655 1.00 0.97 H new ATOM 0 HB2 LYS A 1 -20.016 7.728 -4.176 1.00 1.90 H new ATOM 0 HB3 LYS A 1 -19.697 9.383 -4.655 1.00 1.90 H new ATOM 0 HG2 LYS A 1 -22.257 8.410 -3.284 1.00 1.99 H new ATOM 0 HG3 LYS A 1 -20.954 9.273 -2.491 1.00 1.99 H new ATOM 0 HD2 LYS A 1 -21.322 11.121 -4.317 1.00 2.41 H new ATOM 0 HD3 LYS A 1 -22.839 10.310 -4.650 1.00 2.41 H new ATOM 0 HE2 LYS A 1 -21.948 11.542 -2.000 1.00 3.14 H new ATOM 0 HE3 LYS A 1 -23.300 12.040 -2.997 1.00 3.14 H new ATOM 0 HZ1 LYS A 1 -24.274 10.738 -1.349 1.00 3.88 H new ATOM 0 HZ2 LYS A 1 -24.141 9.647 -2.643 1.00 3.88 H new ATOM 0 HZ3 LYS A 1 -23.030 9.583 -1.361 1.00 3.88 H new ATOM 25 N VAL A 2 -20.261 9.428 -7.823 1.00 0.65 N ATOM 26 CA VAL A 2 -20.014 10.536 -8.788 1.00 0.45 C ATOM 27 C VAL A 2 -19.159 9.988 -9.933 1.00 0.47 C ATOM 28 O VAL A 2 -19.647 9.311 -10.815 1.00 0.88 O ATOM 29 CB VAL A 2 -19.270 11.673 -8.060 1.00 0.73 C ATOM 30 CG1 VAL A 2 -18.146 11.080 -7.167 1.00 1.03 C ATOM 31 CG2 VAL A 2 -18.687 12.688 -9.086 1.00 1.00 C ATOM 0 H VAL A 2 -19.779 8.556 -8.040 1.00 0.65 H new ATOM 0 HA VAL A 2 -20.951 10.926 -9.186 1.00 0.45 H new ATOM 0 HB VAL A 2 -19.975 12.208 -7.423 1.00 0.73 H new ATOM 0 HG11 VAL A 2 -17.624 11.888 -6.655 1.00 1.03 H new ATOM 0 HG12 VAL A 2 -18.584 10.407 -6.430 1.00 1.03 H new ATOM 0 HG13 VAL A 2 -17.441 10.528 -7.788 1.00 1.03 H new ATOM 0 HG21 VAL A 2 -18.165 13.484 -8.554 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -17.989 12.176 -9.748 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -19.498 13.116 -9.675 1.00 1.00 H new ATOM 41 N GLY A 3 -17.885 10.242 -9.912 1.00 0.41 N ATOM 42 CA GLY A 3 -17.011 9.695 -10.978 1.00 0.54 C ATOM 43 C GLY A 3 -16.777 8.223 -10.659 1.00 0.41 C ATOM 44 O GLY A 3 -16.792 7.372 -11.529 1.00 0.45 O ATOM 0 H GLY A 3 -17.412 10.804 -9.204 1.00 0.41 H new ATOM 0 HA2 GLY A 3 -17.481 9.807 -11.955 1.00 0.54 H new ATOM 0 HA3 GLY A 3 -16.065 10.236 -11.015 1.00 0.54 H new ATOM 48 N PHE A 4 -16.588 7.920 -9.396 1.00 0.38 N ATOM 49 CA PHE A 4 -16.371 6.505 -8.974 1.00 0.44 C ATOM 50 C PHE A 4 -17.362 5.603 -9.707 1.00 0.47 C ATOM 51 O PHE A 4 -16.976 4.658 -10.370 1.00 0.68 O ATOM 52 CB PHE A 4 -16.581 6.381 -7.455 1.00 0.57 C ATOM 53 CG PHE A 4 -15.902 7.528 -6.719 1.00 0.70 C ATOM 54 CD1 PHE A 4 -14.687 8.065 -7.184 1.00 1.35 C ATOM 55 CD2 PHE A 4 -16.489 8.050 -5.552 1.00 1.56 C ATOM 56 CE1 PHE A 4 -14.068 9.107 -6.491 1.00 1.52 C ATOM 57 CE2 PHE A 4 -15.860 9.102 -4.858 1.00 1.74 C ATOM 58 CZ PHE A 4 -14.650 9.623 -5.332 1.00 1.26 C ATOM 0 H PHE A 4 -16.575 8.600 -8.636 1.00 0.38 H new ATOM 0 HA PHE A 4 -15.353 6.202 -9.220 1.00 0.44 H new ATOM 0 HB2 PHE A 4 -17.647 6.379 -7.230 1.00 0.57 H new ATOM 0 HB3 PHE A 4 -16.180 5.430 -7.104 1.00 0.57 H new ATOM 0 HD1 PHE A 4 -14.232 7.670 -8.080 1.00 1.35 H new ATOM 0 HD2 PHE A 4 -17.422 7.644 -5.188 1.00 1.56 H new ATOM 0 HE1 PHE A 4 -13.136 9.515 -6.853 1.00 1.52 H new ATOM 0 HE2 PHE A 4 -16.310 9.506 -3.963 1.00 1.74 H new ATOM 0 HZ PHE A 4 -14.165 10.427 -4.799 1.00 1.26 H new ATOM 68 N PHE A 5 -18.630 5.893 -9.620 1.00 0.45 N ATOM 69 CA PHE A 5 -19.610 5.050 -10.345 1.00 0.59 C ATOM 70 C PHE A 5 -19.230 5.081 -11.828 1.00 0.56 C ATOM 71 O PHE A 5 -19.051 4.063 -12.452 1.00 0.72 O ATOM 72 CB PHE A 5 -21.053 5.575 -10.084 1.00 0.72 C ATOM 73 CG PHE A 5 -21.609 6.375 -11.252 1.00 0.73 C ATOM 74 CD1 PHE A 5 -21.907 5.734 -12.461 1.00 1.39 C ATOM 75 CD2 PHE A 5 -21.839 7.751 -11.117 1.00 1.48 C ATOM 76 CE1 PHE A 5 -22.432 6.465 -13.532 1.00 1.44 C ATOM 77 CE2 PHE A 5 -22.366 8.482 -12.188 1.00 1.65 C ATOM 78 CZ PHE A 5 -22.661 7.839 -13.396 1.00 1.10 C ATOM 0 H PHE A 5 -19.023 6.667 -9.085 1.00 0.45 H new ATOM 0 HA PHE A 5 -19.591 4.017 -9.997 1.00 0.59 H new ATOM 0 HB2 PHE A 5 -21.711 4.730 -9.882 1.00 0.72 H new ATOM 0 HB3 PHE A 5 -21.052 6.199 -9.190 1.00 0.72 H new ATOM 0 HD1 PHE A 5 -21.731 4.674 -12.567 1.00 1.39 H new ATOM 0 HD2 PHE A 5 -21.609 8.248 -10.186 1.00 1.48 H new ATOM 0 HE1 PHE A 5 -22.661 5.969 -14.464 1.00 1.44 H new ATOM 0 HE2 PHE A 5 -22.545 9.542 -12.082 1.00 1.65 H new ATOM 0 HZ PHE A 5 -23.065 8.403 -14.223 1.00 1.10 H new ATOM 88 N LYS A 6 -19.081 6.249 -12.388 1.00 0.47 N ATOM 89 CA LYS A 6 -18.692 6.347 -13.824 1.00 0.55 C ATOM 90 C LYS A 6 -17.172 6.213 -13.944 1.00 0.47 C ATOM 91 O LYS A 6 -16.518 7.025 -14.568 1.00 0.56 O ATOM 92 CB LYS A 6 -19.127 7.709 -14.378 1.00 0.71 C ATOM 93 CG LYS A 6 -19.023 7.718 -15.915 1.00 1.24 C ATOM 94 CD LYS A 6 -20.307 7.157 -16.538 1.00 1.40 C ATOM 95 CE LYS A 6 -20.224 7.269 -18.061 1.00 1.81 C ATOM 96 NZ LYS A 6 -21.332 6.486 -18.676 1.00 2.26 N ATOM 0 H LYS A 6 -19.212 7.142 -11.913 1.00 0.47 H new ATOM 0 HA LYS A 6 -19.177 5.552 -14.390 1.00 0.55 H new ATOM 0 HB2 LYS A 6 -20.152 7.922 -14.075 1.00 0.71 H new ATOM 0 HB3 LYS A 6 -18.500 8.497 -13.960 1.00 0.71 H new ATOM 0 HG2 LYS A 6 -18.853 8.735 -16.269 1.00 1.24 H new ATOM 0 HG3 LYS A 6 -18.167 7.123 -16.232 1.00 1.24 H new ATOM 0 HD2 LYS A 6 -20.441 6.116 -16.246 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -21.173 7.706 -16.169 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -20.291 8.314 -18.364 1.00 1.81 H new ATOM 0 HE3 LYS A 6 -19.262 6.896 -18.412 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 -21.277 6.561 -19.712 1.00 2.26 H new ATOM 0 HZ2 LYS A 6 -21.249 5.488 -18.396 1.00 2.26 H new ATOM 0 HZ3 LYS A 6 -22.245 6.862 -18.350 1.00 2.26 H new ATOM 110 N ARG A 7 -16.602 5.196 -13.349 1.00 0.52 N ATOM 111 CA ARG A 7 -15.111 5.014 -13.430 1.00 0.56 C ATOM 112 C ARG A 7 -14.762 3.532 -13.550 1.00 0.59 C ATOM 113 O ARG A 7 -14.558 3.022 -14.634 1.00 0.71 O ATOM 114 CB ARG A 7 -14.445 5.594 -12.174 1.00 0.76 C ATOM 115 CG ARG A 7 -12.922 5.428 -12.268 1.00 1.21 C ATOM 116 CD ARG A 7 -12.248 6.076 -11.052 1.00 1.68 C ATOM 117 NE ARG A 7 -12.101 7.541 -11.288 1.00 2.21 N ATOM 118 CZ ARG A 7 -11.814 8.337 -10.294 1.00 2.78 C ATOM 119 NH1 ARG A 7 -11.679 7.854 -9.089 1.00 3.15 N ATOM 120 NH2 ARG A 7 -11.666 9.616 -10.504 1.00 3.45 N ATOM 0 H ARG A 7 -17.097 4.484 -12.812 1.00 0.52 H new ATOM 0 HA ARG A 7 -14.745 5.539 -14.313 1.00 0.56 H new ATOM 0 HB2 ARG A 7 -14.699 6.649 -12.071 1.00 0.76 H new ATOM 0 HB3 ARG A 7 -14.821 5.087 -11.285 1.00 0.76 H new ATOM 0 HG2 ARG A 7 -12.665 4.370 -12.315 1.00 1.21 H new ATOM 0 HG3 ARG A 7 -12.554 5.887 -13.186 1.00 1.21 H new ATOM 0 HD2 ARG A 7 -12.843 5.899 -10.156 1.00 1.68 H new ATOM 0 HD3 ARG A 7 -11.271 5.624 -10.881 1.00 1.68 H new ATOM 0 HE ARG A 7 -12.225 7.921 -12.226 1.00 2.21 H new ATOM 0 HH11 ARG A 7 -11.798 6.854 -8.924 1.00 3.15 H new ATOM 0 HH12 ARG A 7 -11.455 8.476 -8.312 1.00 3.15 H new ATOM 0 HH21 ARG A 7 -11.775 9.994 -11.445 1.00 3.45 H new ATOM 0 HH22 ARG A 7 -11.442 10.238 -9.727 1.00 3.45 H new ATOM 134 N ASN A 8 -14.666 2.842 -12.447 1.00 0.59 N ATOM 135 CA ASN A 8 -14.303 1.390 -12.496 1.00 0.68 C ATOM 136 C ASN A 8 -15.579 0.549 -12.461 1.00 0.60 C ATOM 137 O ASN A 8 -15.544 -0.663 -12.539 1.00 0.62 O ATOM 138 CB ASN A 8 -13.421 1.040 -11.279 1.00 0.91 C ATOM 139 CG ASN A 8 -12.743 2.296 -10.736 1.00 1.63 C ATOM 140 OD1 ASN A 8 -11.642 2.630 -11.126 1.00 2.44 O ATOM 141 ND2 ASN A 8 -13.365 3.001 -9.841 1.00 1.47 N ATOM 0 H ASN A 8 -14.823 3.218 -11.512 1.00 0.59 H new ATOM 0 HA ASN A 8 -13.753 1.181 -13.414 1.00 0.68 H new ATOM 0 HB2 ASN A 8 -14.030 0.582 -10.500 1.00 0.91 H new ATOM 0 HB3 ASN A 8 -12.667 0.307 -11.567 1.00 0.91 H new ATOM 0 HD21 ASN A 8 -12.930 3.841 -9.461 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -14.289 2.715 -9.518 1.00 1.47 H new ATOM 148 N ARG A 9 -16.696 1.187 -12.308 1.00 0.66 N ATOM 149 CA ARG A 9 -17.978 0.459 -12.222 1.00 0.76 C ATOM 150 C ARG A 9 -18.487 -0.070 -13.600 1.00 0.57 C ATOM 151 O ARG A 9 -19.063 -1.138 -13.643 1.00 0.61 O ATOM 152 CB ARG A 9 -18.992 1.440 -11.598 1.00 1.15 C ATOM 153 CG ARG A 9 -19.849 0.737 -10.551 1.00 1.16 C ATOM 154 CD ARG A 9 -20.695 -0.334 -11.231 1.00 1.56 C ATOM 155 NE ARG A 9 -21.251 0.217 -12.498 1.00 1.99 N ATOM 156 CZ ARG A 9 -21.730 -0.584 -13.408 1.00 2.90 C ATOM 157 NH1 ARG A 9 -21.736 -1.871 -13.206 1.00 3.37 N ATOM 158 NH2 ARG A 9 -22.202 -0.097 -14.522 1.00 3.67 N ATOM 0 H ARG A 9 -16.775 2.202 -12.238 1.00 0.66 H new ATOM 0 HA ARG A 9 -17.847 -0.436 -11.614 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -18.462 2.276 -11.140 1.00 1.15 H new ATOM 0 HB3 ARG A 9 -19.630 1.856 -12.378 1.00 1.15 H new ATOM 0 HG2 ARG A 9 -19.215 0.286 -9.788 1.00 1.16 H new ATOM 0 HG3 ARG A 9 -20.491 1.458 -10.046 1.00 1.16 H new ATOM 0 HD2 ARG A 9 -20.089 -1.216 -11.438 1.00 1.56 H new ATOM 0 HD3 ARG A 9 -21.503 -0.650 -10.571 1.00 1.56 H new ATOM 0 HE ARG A 9 -21.257 1.225 -12.654 1.00 1.99 H new ATOM 0 HH11 ARG A 9 -21.366 -2.252 -12.335 1.00 3.37 H new ATOM 0 HH12 ARG A 9 -22.111 -2.497 -13.918 1.00 3.37 H new ATOM 0 HH21 ARG A 9 -22.196 0.911 -14.681 1.00 3.67 H new ATOM 0 HH22 ARG A 9 -22.577 -0.724 -15.234 1.00 3.67 H new ATOM 172 N PRO A 10 -18.318 0.685 -14.675 1.00 0.48 N ATOM 173 CA PRO A 10 -18.829 0.266 -16.011 1.00 0.50 C ATOM 174 C PRO A 10 -18.249 -1.076 -16.559 1.00 0.48 C ATOM 175 O PRO A 10 -19.005 -1.862 -17.093 1.00 0.62 O ATOM 176 CB PRO A 10 -18.493 1.448 -16.955 1.00 0.58 C ATOM 177 CG PRO A 10 -17.828 2.562 -16.093 1.00 0.57 C ATOM 178 CD PRO A 10 -17.640 2.002 -14.664 1.00 0.53 C ATOM 0 HA PRO A 10 -19.896 0.055 -15.938 1.00 0.50 H new ATOM 0 HB2 PRO A 10 -17.820 1.125 -17.749 1.00 0.58 H new ATOM 0 HB3 PRO A 10 -19.396 1.823 -17.436 1.00 0.58 H new ATOM 0 HG2 PRO A 10 -16.868 2.853 -16.519 1.00 0.57 H new ATOM 0 HG3 PRO A 10 -18.452 3.455 -16.075 1.00 0.57 H new ATOM 0 HD2 PRO A 10 -16.583 1.900 -14.416 1.00 0.53 H new ATOM 0 HD3 PRO A 10 -18.079 2.666 -13.919 1.00 0.53 H new ATOM 186 N PRO A 11 -16.950 -1.291 -16.475 1.00 0.44 N ATOM 187 CA PRO A 11 -16.324 -2.520 -17.031 1.00 0.58 C ATOM 188 C PRO A 11 -16.900 -3.816 -16.411 1.00 0.60 C ATOM 189 O PRO A 11 -16.178 -4.632 -15.876 1.00 0.91 O ATOM 190 CB PRO A 11 -14.809 -2.359 -16.735 1.00 0.66 C ATOM 191 CG PRO A 11 -14.609 -0.956 -16.098 1.00 0.57 C ATOM 192 CD PRO A 11 -16.009 -0.359 -15.837 1.00 0.41 C ATOM 0 HA PRO A 11 -16.526 -2.623 -18.097 1.00 0.58 H new ATOM 0 HB2 PRO A 11 -14.465 -3.141 -16.058 1.00 0.66 H new ATOM 0 HB3 PRO A 11 -14.226 -2.451 -17.652 1.00 0.66 H new ATOM 0 HG2 PRO A 11 -14.046 -1.034 -15.168 1.00 0.57 H new ATOM 0 HG3 PRO A 11 -14.036 -0.311 -16.764 1.00 0.57 H new ATOM 0 HD2 PRO A 11 -16.206 -0.270 -14.769 1.00 0.41 H new ATOM 0 HD3 PRO A 11 -16.096 0.641 -16.262 1.00 0.41 H new ATOM 200 N LEU A 12 -18.185 -4.028 -16.526 1.00 0.55 N ATOM 201 CA LEU A 12 -18.801 -5.284 -15.992 1.00 0.62 C ATOM 202 C LEU A 12 -20.315 -5.238 -16.221 1.00 0.57 C ATOM 203 O LEU A 12 -20.916 -6.208 -16.641 1.00 0.87 O ATOM 204 CB LEU A 12 -18.515 -5.451 -14.486 1.00 0.80 C ATOM 205 CG LEU A 12 -18.765 -4.118 -13.718 1.00 0.87 C ATOM 206 CD1 LEU A 12 -19.800 -4.338 -12.607 1.00 1.13 C ATOM 207 CD2 LEU A 12 -17.460 -3.618 -13.077 1.00 1.05 C ATOM 0 H LEU A 12 -18.839 -3.383 -16.969 1.00 0.55 H new ATOM 0 HA LEU A 12 -18.364 -6.133 -16.517 1.00 0.62 H new ATOM 0 HB2 LEU A 12 -19.151 -6.236 -14.076 1.00 0.80 H new ATOM 0 HB3 LEU A 12 -17.483 -5.770 -14.342 1.00 0.80 H new ATOM 0 HG LEU A 12 -19.132 -3.379 -14.430 1.00 0.87 H new ATOM 0 HD11 LEU A 12 -19.968 -3.401 -12.076 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -20.737 -4.680 -13.046 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -19.431 -5.089 -11.909 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -17.650 -2.686 -12.544 1.00 1.05 H new ATOM 0 HD22 LEU A 12 -17.088 -4.367 -12.378 1.00 1.05 H new ATOM 0 HD23 LEU A 12 -16.715 -3.446 -13.854 1.00 1.05 H new ATOM 219 N GLU A 13 -20.937 -4.122 -15.954 1.00 0.65 N ATOM 220 CA GLU A 13 -22.410 -4.013 -16.163 1.00 0.75 C ATOM 221 C GLU A 13 -22.783 -2.544 -16.365 1.00 0.74 C ATOM 222 O GLU A 13 -21.936 -1.673 -16.355 1.00 0.95 O ATOM 223 CB GLU A 13 -23.149 -4.564 -14.938 1.00 1.03 C ATOM 224 CG GLU A 13 -22.972 -6.083 -14.863 1.00 1.27 C ATOM 225 CD GLU A 13 -23.983 -6.665 -13.874 1.00 1.82 C ATOM 226 OE1 GLU A 13 -25.094 -6.947 -14.289 1.00 2.40 O ATOM 227 OE2 GLU A 13 -23.628 -6.820 -12.717 1.00 2.42 O ATOM 0 H GLU A 13 -20.487 -3.278 -15.599 1.00 0.65 H new ATOM 0 HA GLU A 13 -22.695 -4.589 -17.043 1.00 0.75 H new ATOM 0 HB2 GLU A 13 -22.764 -4.099 -14.030 1.00 1.03 H new ATOM 0 HB3 GLU A 13 -24.208 -4.315 -14.999 1.00 1.03 H new ATOM 0 HG2 GLU A 13 -23.115 -6.526 -15.849 1.00 1.27 H new ATOM 0 HG3 GLU A 13 -21.957 -6.327 -14.548 1.00 1.27 H new ATOM 234 N GLU A 14 -24.049 -2.262 -16.549 1.00 0.68 N ATOM 235 CA GLU A 14 -24.497 -0.849 -16.755 1.00 0.89 C ATOM 236 C GLU A 14 -25.164 -0.340 -15.476 1.00 0.94 C ATOM 237 O GLU A 14 -25.830 0.676 -15.471 1.00 1.55 O ATOM 238 CB GLU A 14 -25.502 -0.798 -17.911 1.00 1.17 C ATOM 239 CG GLU A 14 -26.530 -1.925 -17.759 1.00 1.14 C ATOM 240 CD GLU A 14 -25.910 -3.255 -18.198 1.00 1.64 C ATOM 241 OE1 GLU A 14 -25.404 -3.313 -19.306 1.00 2.06 O ATOM 242 OE2 GLU A 14 -25.954 -4.191 -17.417 1.00 2.31 O ATOM 0 H GLU A 14 -24.797 -2.955 -16.565 1.00 0.68 H new ATOM 0 HA GLU A 14 -23.638 -0.222 -16.993 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -26.007 0.168 -17.923 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -24.980 -0.896 -18.863 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -26.860 -1.992 -16.722 1.00 1.14 H new ATOM 0 HG3 GLU A 14 -27.413 -1.708 -18.361 1.00 1.14 H new ATOM 249 N ASP A 15 -24.988 -1.043 -14.392 1.00 1.07 N ATOM 250 CA ASP A 15 -25.603 -0.619 -13.109 1.00 1.20 C ATOM 251 C ASP A 15 -24.811 0.560 -12.527 1.00 1.34 C ATOM 252 O ASP A 15 -23.804 0.967 -13.067 1.00 2.23 O ATOM 253 CB ASP A 15 -25.564 -1.809 -12.146 1.00 1.49 C ATOM 254 CG ASP A 15 -26.727 -2.759 -12.446 1.00 1.87 C ATOM 255 OD1 ASP A 15 -26.972 -3.014 -13.614 1.00 2.03 O ATOM 256 OD2 ASP A 15 -27.352 -3.215 -11.503 1.00 2.50 O ATOM 0 H ASP A 15 -24.439 -1.901 -14.343 1.00 1.07 H new ATOM 0 HA ASP A 15 -26.634 -0.301 -13.264 1.00 1.20 H new ATOM 0 HB2 ASP A 15 -24.616 -2.338 -12.245 1.00 1.49 H new ATOM 0 HB3 ASP A 15 -25.626 -1.457 -11.116 1.00 1.49 H new ATOM 261 N ASP A 16 -25.263 1.116 -11.427 1.00 1.38 N ATOM 262 CA ASP A 16 -24.551 2.265 -10.805 1.00 1.96 C ATOM 263 C ASP A 16 -23.794 1.775 -9.567 1.00 2.73 C ATOM 264 O ASP A 16 -22.775 1.126 -9.666 1.00 3.35 O ATOM 265 CB ASP A 16 -25.591 3.317 -10.399 1.00 1.75 C ATOM 266 CG ASP A 16 -25.970 4.170 -11.614 1.00 2.35 C ATOM 267 OD1 ASP A 16 -26.149 3.602 -12.678 1.00 3.01 O ATOM 268 OD2 ASP A 16 -26.073 5.375 -11.456 1.00 2.63 O ATOM 0 H ASP A 16 -26.103 0.816 -10.933 1.00 1.38 H new ATOM 0 HA ASP A 16 -23.841 2.701 -11.508 1.00 1.96 H new ATOM 0 HB2 ASP A 16 -26.478 2.828 -9.996 1.00 1.75 H new ATOM 0 HB3 ASP A 16 -25.190 3.952 -9.609 1.00 1.75 H new ATOM 273 N GLU A 17 -24.288 2.090 -8.402 1.00 2.99 N ATOM 274 CA GLU A 17 -23.608 1.657 -7.148 1.00 3.97 C ATOM 275 C GLU A 17 -24.658 1.450 -6.053 1.00 4.44 C ATOM 276 O GLU A 17 -25.345 0.449 -6.016 1.00 4.39 O ATOM 277 CB GLU A 17 -22.631 2.749 -6.710 1.00 4.23 C ATOM 278 CG GLU A 17 -21.350 2.672 -7.540 1.00 4.26 C ATOM 279 CD GLU A 17 -20.355 3.721 -7.043 1.00 5.23 C ATOM 280 OE1 GLU A 17 -20.752 4.552 -6.241 1.00 5.91 O ATOM 281 OE2 GLU A 17 -19.213 3.677 -7.471 1.00 5.57 O ATOM 0 H GLU A 17 -25.140 2.633 -8.263 1.00 2.99 H new ATOM 0 HA GLU A 17 -23.069 0.725 -7.320 1.00 3.97 H new ATOM 0 HB2 GLU A 17 -23.092 3.729 -6.829 1.00 4.23 H new ATOM 0 HB3 GLU A 17 -22.395 2.634 -5.652 1.00 4.23 H new ATOM 0 HG2 GLU A 17 -20.914 1.676 -7.463 1.00 4.26 H new ATOM 0 HG3 GLU A 17 -21.576 2.840 -8.593 1.00 4.26 H new ATOM 288 N GLU A 18 -24.783 2.395 -5.160 1.00 5.24 N ATOM 289 CA GLU A 18 -25.785 2.262 -4.065 1.00 5.97 C ATOM 290 C GLU A 18 -27.180 2.110 -4.670 1.00 5.91 C ATOM 291 O GLU A 18 -28.103 1.656 -4.023 1.00 6.62 O ATOM 292 CB GLU A 18 -25.736 3.513 -3.177 1.00 6.80 C ATOM 293 CG GLU A 18 -26.796 3.415 -2.067 1.00 7.66 C ATOM 294 CD GLU A 18 -28.161 3.857 -2.604 1.00 8.51 C ATOM 295 OE1 GLU A 18 -28.228 4.924 -3.192 1.00 8.87 O ATOM 296 OE2 GLU A 18 -29.116 3.120 -2.419 1.00 8.98 O ATOM 0 H GLU A 18 -24.233 3.254 -5.142 1.00 5.24 H new ATOM 0 HA GLU A 18 -25.557 1.383 -3.462 1.00 5.97 H new ATOM 0 HB2 GLU A 18 -24.745 3.617 -2.736 1.00 6.80 H new ATOM 0 HB3 GLU A 18 -25.911 4.404 -3.780 1.00 6.80 H new ATOM 0 HG2 GLU A 18 -26.855 2.391 -1.699 1.00 7.66 H new ATOM 0 HG3 GLU A 18 -26.509 4.041 -1.222 1.00 7.66 H new ATOM 303 N GLY A 19 -27.340 2.475 -5.914 1.00 5.28 N ATOM 304 CA GLY A 19 -28.673 2.341 -6.568 1.00 5.61 C ATOM 305 C GLY A 19 -28.802 0.929 -7.130 1.00 5.58 C ATOM 306 O GLY A 19 -29.850 0.523 -7.591 1.00 6.33 O ATOM 0 H GLY A 19 -26.604 2.861 -6.506 1.00 5.28 H new ATOM 0 HA2 GLY A 19 -29.468 2.535 -5.848 1.00 5.61 H new ATOM 0 HA3 GLY A 19 -28.778 3.076 -7.366 1.00 5.61 H new ATOM 310 N GLU A 20 -27.733 0.176 -7.094 1.00 4.99 N ATOM 311 CA GLU A 20 -27.769 -1.219 -7.622 1.00 5.43 C ATOM 312 C GLU A 20 -26.918 -2.120 -6.725 1.00 5.84 C ATOM 313 O GLU A 20 -25.706 -2.077 -6.857 1.00 6.24 O ATOM 314 CB GLU A 20 -27.203 -1.231 -9.044 1.00 5.87 C ATOM 315 CG GLU A 20 -28.256 -0.707 -10.022 1.00 6.13 C ATOM 316 CD GLU A 20 -29.367 -1.747 -10.184 1.00 6.76 C ATOM 317 OE1 GLU A 20 -29.113 -2.906 -9.897 1.00 7.17 O ATOM 318 OE2 GLU A 20 -30.452 -1.368 -10.591 1.00 7.07 O ATOM 319 OXT GLU A 20 -27.492 -2.835 -5.920 1.00 6.10 O ATOM 0 H GLU A 20 -26.831 0.470 -6.719 1.00 4.99 H new ATOM 0 HA GLU A 20 -28.796 -1.584 -7.634 1.00 5.43 H new ATOM 0 HB2 GLU A 20 -26.307 -0.613 -9.094 1.00 5.87 H new ATOM 0 HB3 GLU A 20 -26.908 -2.243 -9.320 1.00 5.87 H new ATOM 0 HG2 GLU A 20 -28.673 0.231 -9.656 1.00 6.13 H new ATOM 0 HG3 GLU A 20 -27.797 -0.496 -10.988 1.00 6.13 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -18.335 18.463 -3.732 1.00 0.00 N ATOM 328 CA LYS B 21 -17.630 18.889 -2.490 1.00 0.00 C ATOM 329 C LYS B 21 -16.406 17.987 -2.271 1.00 0.00 C ATOM 330 O LYS B 21 -15.960 17.304 -3.171 1.00 0.00 O ATOM 331 CB LYS B 21 -18.615 18.806 -1.297 1.00 0.00 C ATOM 332 CG LYS B 21 -19.138 20.207 -0.939 1.00 0.00 C ATOM 333 CD LYS B 21 -20.428 20.091 -0.121 1.00 0.00 C ATOM 334 CE LYS B 21 -20.990 21.489 0.149 1.00 0.00 C ATOM 335 NZ LYS B 21 -22.407 21.378 0.597 1.00 0.00 N ATOM 0 HA LYS B 21 -17.283 19.919 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -19.450 18.152 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -18.116 18.365 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -18.384 20.751 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -19.324 20.778 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -21.161 19.491 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -20.229 19.579 0.821 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -20.395 21.991 0.912 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -20.930 22.097 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -22.789 22.328 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -22.970 20.916 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -22.452 20.813 1.469 1.00 0.00 H new ATOM 351 N LEU B 22 -15.847 18.003 -1.092 1.00 0.00 N ATOM 352 CA LEU B 22 -14.632 17.176 -0.817 1.00 0.00 C ATOM 353 C LEU B 22 -14.996 15.691 -0.670 1.00 0.00 C ATOM 354 O LEU B 22 -14.155 14.825 -0.797 1.00 0.00 O ATOM 355 CB LEU B 22 -13.962 17.670 0.472 1.00 0.00 C ATOM 356 CG LEU B 22 -13.188 18.963 0.194 1.00 0.00 C ATOM 357 CD1 LEU B 22 -14.120 20.000 -0.441 1.00 0.00 C ATOM 358 CD2 LEU B 22 -12.634 19.512 1.512 1.00 0.00 C ATOM 0 H LEU B 22 -16.180 18.555 -0.302 1.00 0.00 H new ATOM 0 HA LEU B 22 -13.946 17.279 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -14.715 17.845 1.240 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -13.286 16.906 0.857 1.00 0.00 H new ATOM 0 HG LEU B 22 -12.367 18.754 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -13.564 20.917 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -14.515 19.608 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -14.944 20.213 0.239 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -12.082 20.432 1.320 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -13.458 19.719 2.195 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -11.967 18.776 1.961 1.00 0.00 H new ATOM 370 N LEU B 23 -16.231 15.397 -0.395 1.00 0.00 N ATOM 371 CA LEU B 23 -16.659 13.971 -0.222 1.00 0.00 C ATOM 372 C LEU B 23 -16.064 13.075 -1.324 1.00 0.00 C ATOM 373 O LEU B 23 -16.072 11.866 -1.229 1.00 0.00 O ATOM 374 CB LEU B 23 -18.193 13.882 -0.257 1.00 0.00 C ATOM 375 CG LEU B 23 -18.723 14.139 -1.677 1.00 0.00 C ATOM 376 CD1 LEU B 23 -20.254 14.135 -1.647 1.00 0.00 C ATOM 377 CD2 LEU B 23 -18.228 15.502 -2.180 1.00 0.00 C ATOM 0 H LEU B 23 -16.975 16.085 -0.280 1.00 0.00 H new ATOM 0 HA LEU B 23 -16.291 13.619 0.742 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -18.512 12.897 0.082 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -18.620 14.610 0.433 1.00 0.00 H new ATOM 0 HG LEU B 23 -18.361 13.358 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -20.638 14.317 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -20.608 13.167 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -20.607 14.918 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -18.607 15.678 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -18.587 16.287 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -17.138 15.510 -2.196 1.00 0.00 H new ATOM 389 N ILE B 24 -15.558 13.662 -2.368 1.00 0.00 N ATOM 390 CA ILE B 24 -14.951 12.883 -3.481 1.00 0.00 C ATOM 391 C ILE B 24 -13.451 12.891 -3.290 1.00 0.00 C ATOM 392 O ILE B 24 -12.766 11.910 -3.486 1.00 0.00 O ATOM 393 CB ILE B 24 -15.286 13.536 -4.832 1.00 0.00 C ATOM 394 CG1 ILE B 24 -14.828 15.026 -4.839 1.00 0.00 C ATOM 395 CG2 ILE B 24 -16.799 13.445 -5.071 1.00 0.00 C ATOM 396 CD1 ILE B 24 -13.452 15.179 -5.511 1.00 0.00 C ATOM 0 H ILE B 24 -15.539 14.673 -2.501 1.00 0.00 H new ATOM 0 HA ILE B 24 -15.342 11.865 -3.476 1.00 0.00 H new ATOM 0 HB ILE B 24 -14.759 13.012 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -15.563 15.633 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -14.780 15.400 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -17.045 13.906 -6.028 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -17.103 12.398 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -17.326 13.966 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -13.157 16.228 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -12.714 14.590 -4.967 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -13.509 14.827 -6.541 1.00 0.00 H new ATOM 408 N THR B 25 -12.948 14.028 -2.916 1.00 0.00 N ATOM 409 CA THR B 25 -11.496 14.181 -2.708 1.00 0.00 C ATOM 410 C THR B 25 -11.059 13.169 -1.654 1.00 0.00 C ATOM 411 O THR B 25 -10.043 12.517 -1.793 1.00 0.00 O ATOM 412 CB THR B 25 -11.217 15.624 -2.253 1.00 0.00 C ATOM 413 OG1 THR B 25 -11.076 16.452 -3.398 1.00 0.00 O ATOM 414 CG2 THR B 25 -9.937 15.702 -1.414 1.00 0.00 C ATOM 0 H THR B 25 -13.496 14.871 -2.744 1.00 0.00 H new ATOM 0 HA THR B 25 -10.936 13.996 -3.625 1.00 0.00 H new ATOM 0 HB THR B 25 -12.052 15.961 -1.638 1.00 0.00 H new ATOM 0 HG1 THR B 25 -10.900 17.374 -3.115 1.00 0.00 H new ATOM 0 HG21 THR B 25 -9.766 16.734 -1.107 1.00 0.00 H new ATOM 0 HG22 THR B 25 -10.042 15.073 -0.530 1.00 0.00 H new ATOM 0 HG23 THR B 25 -9.091 15.355 -2.008 1.00 0.00 H new ATOM 422 N ILE B 26 -11.822 13.014 -0.604 1.00 0.00 N ATOM 423 CA ILE B 26 -11.426 12.020 0.421 1.00 0.00 C ATOM 424 C ILE B 26 -11.592 10.634 -0.188 1.00 0.00 C ATOM 425 O ILE B 26 -10.887 9.707 0.158 1.00 0.00 O ATOM 426 CB ILE B 26 -12.262 12.193 1.727 1.00 0.00 C ATOM 427 CG1 ILE B 26 -13.432 11.175 1.828 1.00 0.00 C ATOM 428 CG2 ILE B 26 -12.822 13.618 1.800 1.00 0.00 C ATOM 429 CD1 ILE B 26 -14.394 11.283 0.633 1.00 0.00 C ATOM 0 H ILE B 26 -12.685 13.525 -0.418 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.386 12.166 0.711 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.589 12.004 2.564 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -13.029 10.163 1.879 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -13.982 11.346 2.753 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -13.405 13.733 2.714 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -11.999 14.333 1.802 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -13.461 13.803 0.936 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -15.196 10.554 0.745 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -14.818 12.286 0.597 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -13.850 11.086 -0.291 1.00 0.00 H new ATOM 441 N HIS B 27 -12.521 10.475 -1.099 1.00 0.00 N ATOM 442 CA HIS B 27 -12.708 9.124 -1.718 1.00 0.00 C ATOM 443 C HIS B 27 -11.791 8.989 -2.944 1.00 0.00 C ATOM 444 O HIS B 27 -11.615 7.913 -3.480 1.00 0.00 O ATOM 445 CB HIS B 27 -14.183 8.942 -2.136 1.00 0.00 C ATOM 446 CG HIS B 27 -14.959 8.156 -1.101 1.00 0.00 C ATOM 447 ND1 HIS B 27 -14.365 7.228 -0.259 1.00 0.00 N ATOM 448 CD2 HIS B 27 -16.291 8.158 -0.773 1.00 0.00 C ATOM 449 CE1 HIS B 27 -15.331 6.715 0.525 1.00 0.00 C ATOM 450 NE2 HIS B 27 -16.525 7.249 0.254 1.00 0.00 N ATOM 0 H HIS B 27 -13.147 11.206 -1.436 1.00 0.00 H new ATOM 0 HA HIS B 27 -12.449 8.353 -0.992 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -14.646 9.919 -2.275 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -14.230 8.427 -3.096 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -17.045 8.773 -1.242 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -15.161 5.963 1.281 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -17.416 7.036 0.703 1.00 0.00 H new ATOM 458 N ASP B 28 -11.232 10.072 -3.409 1.00 0.00 N ATOM 459 CA ASP B 28 -10.356 10.007 -4.621 1.00 0.00 C ATOM 460 C ASP B 28 -8.885 9.908 -4.227 1.00 0.00 C ATOM 461 O ASP B 28 -8.084 9.332 -4.934 1.00 0.00 O ATOM 462 CB ASP B 28 -10.562 11.278 -5.442 1.00 0.00 C ATOM 463 CG ASP B 28 -9.952 11.097 -6.832 1.00 0.00 C ATOM 464 OD1 ASP B 28 -10.270 10.110 -7.474 1.00 0.00 O ATOM 465 OD2 ASP B 28 -9.176 11.950 -7.233 1.00 0.00 O ATOM 0 H ASP B 28 -11.342 11.002 -3.004 1.00 0.00 H new ATOM 0 HA ASP B 28 -10.622 9.122 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -11.626 11.499 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -10.099 12.127 -4.939 1.00 0.00 H new ATOM 470 N ARG B 29 -8.521 10.469 -3.117 1.00 0.00 N ATOM 471 CA ARG B 29 -7.094 10.411 -2.699 1.00 0.00 C ATOM 472 C ARG B 29 -6.658 8.943 -2.609 1.00 0.00 C ATOM 473 O ARG B 29 -5.484 8.631 -2.604 1.00 0.00 O ATOM 474 CB ARG B 29 -6.927 11.168 -1.350 1.00 0.00 C ATOM 475 CG ARG B 29 -6.524 10.230 -0.198 1.00 0.00 C ATOM 476 CD ARG B 29 -6.382 11.044 1.089 1.00 0.00 C ATOM 477 NE ARG B 29 -7.731 11.437 1.579 1.00 0.00 N ATOM 478 CZ ARG B 29 -7.876 11.884 2.797 1.00 0.00 C ATOM 479 NH1 ARG B 29 -6.840 11.984 3.583 1.00 0.00 N ATOM 480 NH2 ARG B 29 -9.057 12.231 3.226 1.00 0.00 N ATOM 0 H ARG B 29 -9.144 10.965 -2.480 1.00 0.00 H new ATOM 0 HA ARG B 29 -6.451 10.900 -3.430 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -6.171 11.945 -1.464 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -7.863 11.667 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -7.275 9.451 -0.068 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -5.584 9.731 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -5.865 10.457 1.848 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -5.777 11.932 0.905 1.00 0.00 H new ATOM 0 HE ARG B 29 -8.541 11.357 0.964 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -5.916 11.713 3.246 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -6.954 12.333 4.535 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -9.866 12.153 2.610 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -9.172 12.580 4.177 1.00 0.00 H new ATOM 494 N LYS B 30 -7.597 8.045 -2.551 1.00 0.00 N ATOM 495 CA LYS B 30 -7.245 6.607 -2.478 1.00 0.00 C ATOM 496 C LYS B 30 -6.814 6.138 -3.867 1.00 0.00 C ATOM 497 O LYS B 30 -6.106 5.162 -4.016 1.00 0.00 O ATOM 498 CB LYS B 30 -8.465 5.806 -2.018 1.00 0.00 C ATOM 499 CG LYS B 30 -8.040 4.381 -1.658 1.00 0.00 C ATOM 500 CD LYS B 30 -9.283 3.495 -1.529 1.00 0.00 C ATOM 501 CE LYS B 30 -10.155 3.994 -0.374 1.00 0.00 C ATOM 502 NZ LYS B 30 -11.114 2.924 0.022 1.00 0.00 N ATOM 0 H LYS B 30 -8.597 8.248 -2.551 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.432 6.456 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -8.924 6.288 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -9.216 5.783 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -7.375 3.984 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -7.482 4.382 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -9.851 3.511 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.987 2.461 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -9.530 4.269 0.475 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -10.697 4.890 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.707 3.262 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -11.718 2.682 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -10.587 2.080 0.325 1.00 0.00 H new ATOM 516 N GLU B 31 -7.240 6.832 -4.886 1.00 0.00 N ATOM 517 CA GLU B 31 -6.866 6.437 -6.267 1.00 0.00 C ATOM 518 C GLU B 31 -5.342 6.353 -6.375 1.00 0.00 C ATOM 519 O GLU B 31 -4.803 5.643 -7.199 1.00 0.00 O ATOM 520 CB GLU B 31 -7.426 7.469 -7.262 1.00 0.00 C ATOM 521 CG GLU B 31 -6.532 8.718 -7.312 1.00 0.00 C ATOM 522 CD GLU B 31 -7.311 9.888 -7.920 1.00 0.00 C ATOM 523 OE1 GLU B 31 -8.254 9.631 -8.650 1.00 0.00 O ATOM 524 OE2 GLU B 31 -6.951 11.021 -7.643 1.00 0.00 O ATOM 0 H GLU B 31 -7.833 7.659 -4.818 1.00 0.00 H new ATOM 0 HA GLU B 31 -7.287 5.460 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -7.494 7.024 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.437 7.751 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -6.195 8.976 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -5.640 8.515 -7.905 1.00 0.00 H new ATOM 531 N PHE B 32 -4.650 7.074 -5.539 1.00 0.00 N ATOM 532 CA PHE B 32 -3.161 7.042 -5.579 1.00 0.00 C ATOM 533 C PHE B 32 -2.671 5.807 -4.812 1.00 0.00 C ATOM 534 O PHE B 32 -1.584 5.308 -5.021 1.00 0.00 O ATOM 535 CB PHE B 32 -2.604 8.317 -4.918 1.00 0.00 C ATOM 536 CG PHE B 32 -1.223 8.623 -5.451 1.00 0.00 C ATOM 537 CD1 PHE B 32 -0.143 7.864 -5.018 1.00 0.00 C ATOM 538 CD2 PHE B 32 -1.029 9.662 -6.370 1.00 0.00 C ATOM 539 CE1 PHE B 32 1.145 8.134 -5.496 1.00 0.00 C ATOM 540 CE2 PHE B 32 0.257 9.936 -6.853 1.00 0.00 C ATOM 541 CZ PHE B 32 1.345 9.171 -6.415 1.00 0.00 C ATOM 0 H PHE B 32 -5.051 7.685 -4.828 1.00 0.00 H new ATOM 0 HA PHE B 32 -2.817 6.994 -6.612 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.271 9.157 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.563 8.186 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -0.297 7.063 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.870 10.251 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE B 32 1.983 7.543 -5.156 1.00 0.00 H new ATOM 0 HE2 PHE B 32 0.409 10.736 -7.562 1.00 0.00 H new ATOM 0 HZ PHE B 32 2.337 9.381 -6.786 1.00 0.00 H new ATOM 551 N ALA B 33 -3.476 5.334 -3.910 1.00 0.00 N ATOM 552 CA ALA B 33 -3.095 4.156 -3.079 1.00 0.00 C ATOM 553 C ALA B 33 -2.395 3.071 -3.907 1.00 0.00 C ATOM 554 O ALA B 33 -1.291 2.674 -3.598 1.00 0.00 O ATOM 555 CB ALA B 33 -4.354 3.564 -2.444 1.00 0.00 C ATOM 0 H ALA B 33 -4.399 5.718 -3.707 1.00 0.00 H new ATOM 0 HA ALA B 33 -2.397 4.497 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -4.083 2.702 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.833 4.316 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.044 3.252 -3.228 1.00 0.00 H new ATOM 561 N LYS B 34 -3.032 2.552 -4.924 1.00 0.00 N ATOM 562 CA LYS B 34 -2.394 1.453 -5.723 1.00 0.00 C ATOM 563 C LYS B 34 -1.460 2.021 -6.803 1.00 0.00 C ATOM 564 O LYS B 34 -0.481 1.398 -7.158 1.00 0.00 O ATOM 565 CB LYS B 34 -3.515 0.592 -6.367 1.00 0.00 C ATOM 566 CG LYS B 34 -3.385 -0.885 -5.956 1.00 0.00 C ATOM 567 CD LYS B 34 -2.186 -1.514 -6.671 1.00 0.00 C ATOM 568 CE LYS B 34 -1.895 -2.889 -6.068 1.00 0.00 C ATOM 569 NZ LYS B 34 -3.179 -3.591 -5.783 1.00 0.00 N ATOM 0 H LYS B 34 -3.960 2.836 -5.238 1.00 0.00 H new ATOM 0 HA LYS B 34 -1.786 0.835 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -4.490 0.973 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -3.464 0.676 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -3.259 -0.963 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -4.297 -1.425 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -2.394 -1.609 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -1.312 -0.870 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -1.291 -3.479 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -1.317 -2.780 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -3.011 -4.616 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -3.562 -3.260 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -3.862 -3.387 -6.541 1.00 0.00 H new ATOM 583 N PHE B 35 -1.737 3.185 -7.322 1.00 0.00 N ATOM 584 CA PHE B 35 -0.843 3.766 -8.363 1.00 0.00 C ATOM 585 C PHE B 35 0.602 3.647 -7.888 1.00 0.00 C ATOM 586 O PHE B 35 1.533 3.551 -8.659 1.00 0.00 O ATOM 587 CB PHE B 35 -1.194 5.237 -8.520 1.00 0.00 C ATOM 588 CG PHE B 35 -2.422 5.449 -9.390 1.00 0.00 C ATOM 589 CD1 PHE B 35 -3.361 4.426 -9.598 1.00 0.00 C ATOM 590 CD2 PHE B 35 -2.611 6.696 -9.996 1.00 0.00 C ATOM 591 CE1 PHE B 35 -4.479 4.656 -10.410 1.00 0.00 C ATOM 592 CE2 PHE B 35 -3.730 6.923 -10.807 1.00 0.00 C ATOM 593 CZ PHE B 35 -4.662 5.904 -11.015 1.00 0.00 C ATOM 0 H PHE B 35 -2.542 3.758 -7.071 1.00 0.00 H new ATOM 0 HA PHE B 35 -0.965 3.243 -9.312 1.00 0.00 H new ATOM 0 HB2 PHE B 35 -1.369 5.673 -7.536 1.00 0.00 H new ATOM 0 HB3 PHE B 35 -0.347 5.765 -8.957 1.00 0.00 H new ATOM 0 HD1 PHE B 35 -3.221 3.462 -9.132 1.00 0.00 H new ATOM 0 HD2 PHE B 35 -1.892 7.486 -9.838 1.00 0.00 H new ATOM 0 HE1 PHE B 35 -5.201 3.869 -10.569 1.00 0.00 H new ATOM 0 HE2 PHE B 35 -3.872 7.887 -11.272 1.00 0.00 H new ATOM 0 HZ PHE B 35 -5.523 6.079 -11.642 1.00 0.00 H new ATOM 603 N GLU B 36 0.771 3.657 -6.609 1.00 0.00 N ATOM 604 CA GLU B 36 2.116 3.547 -6.006 1.00 0.00 C ATOM 605 C GLU B 36 2.943 2.479 -6.737 1.00 0.00 C ATOM 606 O GLU B 36 4.157 2.482 -6.691 1.00 0.00 O ATOM 607 CB GLU B 36 1.936 3.164 -4.536 1.00 0.00 C ATOM 608 CG GLU B 36 1.280 1.788 -4.430 1.00 0.00 C ATOM 609 CD GLU B 36 0.979 1.477 -2.961 1.00 0.00 C ATOM 610 OE1 GLU B 36 1.668 2.012 -2.109 1.00 0.00 O ATOM 611 OE2 GLU B 36 0.065 0.708 -2.714 1.00 0.00 O ATOM 0 H GLU B 36 0.011 3.739 -5.934 1.00 0.00 H new ATOM 0 HA GLU B 36 2.648 4.495 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU B 36 2.903 3.154 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU B 36 1.321 3.909 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU B 36 0.359 1.766 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU B 36 1.939 1.026 -4.846 1.00 0.00 H new ATOM 618 N GLU B 37 2.297 1.571 -7.428 1.00 0.00 N ATOM 619 CA GLU B 37 3.050 0.519 -8.176 1.00 0.00 C ATOM 620 C GLU B 37 3.374 1.059 -9.562 1.00 0.00 C ATOM 621 O GLU B 37 4.384 0.751 -10.162 1.00 0.00 O ATOM 622 CB GLU B 37 2.184 -0.743 -8.297 1.00 0.00 C ATOM 623 CG GLU B 37 1.015 -0.485 -9.255 1.00 0.00 C ATOM 624 CD GLU B 37 -0.044 -1.574 -9.077 1.00 0.00 C ATOM 625 OE1 GLU B 37 0.221 -2.516 -8.348 1.00 0.00 O ATOM 626 OE2 GLU B 37 -1.100 -1.450 -9.676 1.00 0.00 O ATOM 0 H GLU B 37 1.282 1.514 -7.506 1.00 0.00 H new ATOM 0 HA GLU B 37 3.970 0.264 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU B 37 2.787 -1.575 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU B 37 1.805 -1.030 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU B 37 0.580 0.495 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU B 37 1.371 -0.475 -10.285 1.00 0.00 H new ATOM 633 N GLU B 38 2.485 1.860 -10.061 1.00 0.00 N ATOM 634 CA GLU B 38 2.642 2.458 -11.407 1.00 0.00 C ATOM 635 C GLU B 38 4.080 2.949 -11.611 1.00 0.00 C ATOM 636 O GLU B 38 4.614 2.894 -12.701 1.00 0.00 O ATOM 637 CB GLU B 38 1.615 3.602 -11.515 1.00 0.00 C ATOM 638 CG GLU B 38 2.207 4.955 -11.078 1.00 0.00 C ATOM 639 CD GLU B 38 3.053 5.545 -12.209 1.00 0.00 C ATOM 640 OE1 GLU B 38 2.682 5.366 -13.357 1.00 0.00 O ATOM 641 OE2 GLU B 38 4.058 6.169 -11.906 1.00 0.00 O ATOM 0 H GLU B 38 1.630 2.133 -9.577 1.00 0.00 H new ATOM 0 HA GLU B 38 2.458 1.725 -12.192 1.00 0.00 H new ATOM 0 HB2 GLU B 38 1.263 3.676 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU B 38 0.748 3.370 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU B 38 1.405 5.644 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.819 4.823 -10.186 1.00 0.00 H new ATOM 648 N ARG B 39 4.709 3.424 -10.577 1.00 0.00 N ATOM 649 CA ARG B 39 6.109 3.912 -10.721 1.00 0.00 C ATOM 650 C ARG B 39 6.945 2.854 -11.437 1.00 0.00 C ATOM 651 O ARG B 39 7.498 3.084 -12.494 1.00 0.00 O ATOM 652 CB ARG B 39 6.703 4.155 -9.333 1.00 0.00 C ATOM 653 CG ARG B 39 5.673 4.864 -8.458 1.00 0.00 C ATOM 654 CD ARG B 39 6.358 5.425 -7.212 1.00 0.00 C ATOM 655 NE ARG B 39 5.327 5.906 -6.251 1.00 0.00 N ATOM 656 CZ ARG B 39 5.655 6.165 -5.014 1.00 0.00 C ATOM 657 NH1 ARG B 39 6.891 6.010 -4.623 1.00 0.00 N ATOM 658 NH2 ARG B 39 4.750 6.579 -4.172 1.00 0.00 N ATOM 0 H ARG B 39 4.317 3.496 -9.638 1.00 0.00 H new ATOM 0 HA ARG B 39 6.113 4.838 -11.296 1.00 0.00 H new ATOM 0 HB2 ARG B 39 6.992 3.208 -8.878 1.00 0.00 H new ATOM 0 HB3 ARG B 39 7.607 4.759 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG B 39 5.198 5.670 -9.018 1.00 0.00 H new ATOM 0 HG3 ARG B 39 4.885 4.168 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG B 39 6.974 4.656 -6.746 1.00 0.00 H new ATOM 0 HD3 ARG B 39 7.023 6.243 -7.487 1.00 0.00 H new ATOM 0 HE ARG B 39 4.363 6.033 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG B 39 7.598 5.687 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG B 39 7.149 6.212 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG B 39 3.785 6.701 -4.479 1.00 0.00 H new ATOM 0 HH22 ARG B 39 5.007 6.781 -3.206 1.00 0.00 H new ATOM 672 N ALA B 40 7.043 1.698 -10.852 1.00 0.00 N ATOM 673 CA ALA B 40 7.848 0.606 -11.470 1.00 0.00 C ATOM 674 C ALA B 40 7.187 0.125 -12.767 1.00 0.00 C ATOM 675 O ALA B 40 7.850 -0.109 -13.756 1.00 0.00 O ATOM 676 CB ALA B 40 7.953 -0.564 -10.490 1.00 0.00 C ATOM 0 H ALA B 40 6.598 1.458 -9.966 1.00 0.00 H new ATOM 0 HA ALA B 40 8.843 0.987 -11.701 1.00 0.00 H new ATOM 0 HB1 ALA B 40 8.541 -1.364 -10.940 1.00 0.00 H new ATOM 0 HB2 ALA B 40 8.438 -0.228 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA B 40 6.955 -0.935 -10.258 1.00 0.00 H new ATOM 682 N ARG B 41 5.890 -0.033 -12.773 1.00 0.00 N ATOM 683 CA ARG B 41 5.211 -0.509 -14.014 1.00 0.00 C ATOM 684 C ARG B 41 5.308 0.562 -15.101 1.00 0.00 C ATOM 685 O ARG B 41 5.003 0.317 -16.251 1.00 0.00 O ATOM 686 CB ARG B 41 3.740 -0.807 -13.717 1.00 0.00 C ATOM 687 CG ARG B 41 3.150 -1.658 -14.846 1.00 0.00 C ATOM 688 CD ARG B 41 1.698 -2.011 -14.514 1.00 0.00 C ATOM 689 NE ARG B 41 1.010 -2.499 -15.743 1.00 0.00 N ATOM 690 CZ ARG B 41 -0.131 -3.127 -15.646 1.00 0.00 C ATOM 691 NH1 ARG B 41 -0.669 -3.325 -14.474 1.00 0.00 N ATOM 692 NH2 ARG B 41 -0.734 -3.554 -16.723 1.00 0.00 N ATOM 0 H ARG B 41 5.275 0.145 -11.979 1.00 0.00 H new ATOM 0 HA ARG B 41 5.700 -1.419 -14.361 1.00 0.00 H new ATOM 0 HB2 ARG B 41 3.650 -1.333 -12.766 1.00 0.00 H new ATOM 0 HB3 ARG B 41 3.182 0.124 -13.620 1.00 0.00 H new ATOM 0 HG2 ARG B 41 3.196 -1.113 -15.789 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.736 -2.568 -14.974 1.00 0.00 H new ATOM 0 HD2 ARG B 41 1.667 -2.777 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG B 41 1.182 -1.136 -14.119 1.00 0.00 H new ATOM 0 HE ARG B 41 1.430 -2.343 -16.659 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -0.198 -2.989 -13.634 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -1.560 -3.815 -14.398 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -0.314 -3.397 -17.639 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -1.625 -4.045 -16.648 1.00 0.00 H new ATOM 706 N ALA B 42 5.731 1.749 -14.752 1.00 0.00 N ATOM 707 CA ALA B 42 5.847 2.829 -15.777 1.00 0.00 C ATOM 708 C ALA B 42 6.567 2.280 -17.011 1.00 0.00 C ATOM 709 O ALA B 42 5.957 1.719 -17.899 1.00 0.00 O ATOM 710 CB ALA B 42 6.650 3.998 -15.201 1.00 0.00 C ATOM 0 H ALA B 42 6.000 2.017 -13.805 1.00 0.00 H new ATOM 0 HA ALA B 42 4.851 3.174 -16.055 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.734 4.786 -15.950 1.00 0.00 H new ATOM 0 HB2 ALA B 42 6.142 4.389 -14.319 1.00 0.00 H new ATOM 0 HB3 ALA B 42 7.646 3.653 -14.923 1.00 0.00 H new ATOM 716 N LYS B 43 7.860 2.434 -17.069 1.00 0.00 N ATOM 717 CA LYS B 43 8.618 1.917 -18.236 1.00 0.00 C ATOM 718 C LYS B 43 8.532 0.389 -18.259 1.00 0.00 C ATOM 719 O LYS B 43 7.842 -0.213 -17.460 1.00 0.00 O ATOM 720 CB LYS B 43 10.082 2.349 -18.124 1.00 0.00 C ATOM 721 CG LYS B 43 10.571 2.128 -16.691 1.00 0.00 C ATOM 722 CD LYS B 43 12.097 2.256 -16.644 1.00 0.00 C ATOM 723 CE LYS B 43 12.518 3.628 -17.178 1.00 0.00 C ATOM 724 NZ LYS B 43 11.581 4.671 -16.672 1.00 0.00 N ATOM 0 H LYS B 43 8.424 2.897 -16.356 1.00 0.00 H new ATOM 0 HA LYS B 43 8.193 2.318 -19.156 1.00 0.00 H new ATOM 0 HB2 LYS B 43 10.695 1.778 -18.821 1.00 0.00 H new ATOM 0 HB3 LYS B 43 10.184 3.399 -18.397 1.00 0.00 H new ATOM 0 HG2 LYS B 43 10.114 2.858 -16.023 1.00 0.00 H new ATOM 0 HG3 LYS B 43 10.268 1.142 -16.340 1.00 0.00 H new ATOM 0 HD2 LYS B 43 12.451 2.129 -15.621 1.00 0.00 H new ATOM 0 HD3 LYS B 43 12.556 1.467 -17.240 1.00 0.00 H new ATOM 0 HE2 LYS B 43 13.536 3.855 -16.862 1.00 0.00 H new ATOM 0 HE3 LYS B 43 12.516 3.621 -18.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 12.057 5.596 -16.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 10.742 4.712 -17.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 11.289 4.434 -15.702 1.00 0.00 H new ATOM 738 N TRP B 44 9.227 -0.244 -19.164 1.00 0.00 N ATOM 739 CA TRP B 44 9.182 -1.734 -19.233 1.00 0.00 C ATOM 740 C TRP B 44 10.192 -2.319 -18.242 1.00 0.00 C ATOM 741 O TRP B 44 10.783 -1.610 -17.453 1.00 0.00 O ATOM 742 CB TRP B 44 9.532 -2.191 -20.650 1.00 0.00 C ATOM 743 CG TRP B 44 10.720 -1.431 -21.144 1.00 0.00 C ATOM 744 CD1 TRP B 44 11.983 -1.913 -21.199 1.00 0.00 C ATOM 745 CD2 TRP B 44 10.780 -0.067 -21.654 1.00 0.00 C ATOM 746 NE1 TRP B 44 12.814 -0.933 -21.710 1.00 0.00 N ATOM 747 CE2 TRP B 44 12.120 0.223 -22.006 1.00 0.00 C ATOM 748 CE3 TRP B 44 9.813 0.935 -21.845 1.00 0.00 C ATOM 749 CZ2 TRP B 44 12.486 1.464 -22.528 1.00 0.00 C ATOM 750 CZ3 TRP B 44 10.178 2.186 -22.370 1.00 0.00 C ATOM 751 CH2 TRP B 44 11.512 2.448 -22.710 1.00 0.00 C ATOM 0 H TRP B 44 9.824 0.205 -19.859 1.00 0.00 H new ATOM 0 HA TRP B 44 8.180 -2.080 -18.979 1.00 0.00 H new ATOM 0 HB2 TRP B 44 9.744 -3.260 -20.656 1.00 0.00 H new ATOM 0 HB3 TRP B 44 8.683 -2.030 -21.315 1.00 0.00 H new ATOM 0 HD1 TRP B 44 12.292 -2.902 -20.894 1.00 0.00 H new ATOM 0 HE1 TRP B 44 13.817 -1.050 -21.851 1.00 0.00 H new ATOM 0 HE3 TRP B 44 8.782 0.742 -21.586 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 13.515 1.662 -22.789 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 9.427 2.949 -22.512 1.00 0.00 H new ATOM 0 HH2 TRP B 44 11.787 3.412 -23.113 1.00 0.00 H new ATOM 762 N ASP B 45 10.394 -3.609 -18.279 1.00 0.00 N ATOM 763 CA ASP B 45 11.364 -4.241 -17.340 1.00 0.00 C ATOM 764 C ASP B 45 10.989 -3.884 -15.900 1.00 0.00 C ATOM 765 O ASP B 45 11.234 -2.787 -15.439 1.00 0.00 O ATOM 766 CB ASP B 45 12.774 -3.728 -17.642 1.00 0.00 C ATOM 767 CG ASP B 45 13.800 -4.590 -16.903 1.00 0.00 C ATOM 768 OD1 ASP B 45 13.973 -5.733 -17.291 1.00 0.00 O ATOM 769 OD2 ASP B 45 14.394 -4.091 -15.961 1.00 0.00 O ATOM 0 H ASP B 45 9.929 -4.252 -18.919 1.00 0.00 H new ATOM 0 HA ASP B 45 11.336 -5.324 -17.464 1.00 0.00 H new ATOM 0 HB2 ASP B 45 12.962 -3.760 -18.715 1.00 0.00 H new ATOM 0 HB3 ASP B 45 12.868 -2.687 -17.333 1.00 0.00 H new ATOM 774 N THR B 46 10.397 -4.803 -15.186 1.00 0.00 N ATOM 775 CA THR B 46 10.008 -4.513 -13.776 1.00 0.00 C ATOM 776 C THR B 46 11.219 -3.966 -13.019 1.00 0.00 C ATOM 777 O THR B 46 11.525 -2.792 -13.087 1.00 0.00 O ATOM 778 CB THR B 46 9.521 -5.801 -13.102 1.00 0.00 C ATOM 779 OG1 THR B 46 9.741 -5.712 -11.701 1.00 0.00 O ATOM 780 CG2 THR B 46 10.290 -6.998 -13.663 1.00 0.00 C ATOM 0 H THR B 46 10.166 -5.740 -15.517 1.00 0.00 H new ATOM 0 HA THR B 46 9.206 -3.775 -13.764 1.00 0.00 H new ATOM 0 HB THR B 46 8.457 -5.932 -13.298 1.00 0.00 H new ATOM 0 HG1 THR B 46 9.429 -6.534 -11.268 1.00 0.00 H new ATOM 0 HG21 THR B 46 9.942 -7.912 -13.182 1.00 0.00 H new ATOM 0 HG22 THR B 46 10.122 -7.067 -14.738 1.00 0.00 H new ATOM 0 HG23 THR B 46 11.355 -6.869 -13.470 1.00 0.00 H new ATOM 788 N ALA B 47 11.911 -4.803 -12.295 1.00 0.00 N ATOM 789 CA ALA B 47 13.099 -4.321 -11.536 1.00 0.00 C ATOM 790 C ALA B 47 13.956 -5.513 -11.106 1.00 0.00 C ATOM 791 O ALA B 47 14.102 -5.792 -9.932 1.00 0.00 O ATOM 792 CB ALA B 47 12.636 -3.555 -10.295 1.00 0.00 C ATOM 0 H ALA B 47 11.706 -5.797 -12.197 1.00 0.00 H new ATOM 0 HA ALA B 47 13.689 -3.663 -12.173 1.00 0.00 H new ATOM 0 HB1 ALA B 47 13.505 -3.202 -9.740 1.00 0.00 H new ATOM 0 HB2 ALA B 47 12.029 -2.702 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA B 47 12.043 -4.214 -9.661 1.00 0.00 H new ATOM 798 N ASN B 48 14.530 -6.217 -12.043 1.00 0.00 N ATOM 799 CA ASN B 48 15.382 -7.384 -11.678 1.00 0.00 C ATOM 800 C ASN B 48 16.726 -6.876 -11.154 1.00 0.00 C ATOM 801 O ASN B 48 17.708 -7.591 -11.131 1.00 0.00 O ATOM 802 CB ASN B 48 15.607 -8.261 -12.911 1.00 0.00 C ATOM 803 CG ASN B 48 14.261 -8.576 -13.567 1.00 0.00 C ATOM 804 OD1 ASN B 48 14.022 -8.205 -14.699 1.00 0.00 O ATOM 805 ND2 ASN B 48 13.364 -9.248 -12.898 1.00 0.00 N ATOM 0 H ASN B 48 14.446 -6.035 -13.043 1.00 0.00 H new ATOM 0 HA ASN B 48 14.887 -7.974 -10.907 1.00 0.00 H new ATOM 0 HB2 ASN B 48 16.258 -7.750 -13.620 1.00 0.00 H new ATOM 0 HB3 ASN B 48 16.110 -9.185 -12.626 1.00 0.00 H new ATOM 0 HD21 ASN B 48 12.463 -9.461 -13.326 1.00 0.00 H new ATOM 0 HD22 ASN B 48 13.564 -9.560 -11.948 1.00 0.00 H new ATOM 812 N ASN B 49 16.771 -5.641 -10.734 1.00 0.00 N ATOM 813 CA ASN B 49 18.042 -5.063 -10.207 1.00 0.00 C ATOM 814 C ASN B 49 17.707 -3.929 -9.223 1.00 0.00 C ATOM 815 O ASN B 49 17.829 -2.772 -9.571 1.00 0.00 O ATOM 816 CB ASN B 49 18.858 -4.495 -11.372 1.00 0.00 C ATOM 817 CG ASN B 49 17.963 -3.608 -12.240 1.00 0.00 C ATOM 818 OD1 ASN B 49 17.042 -4.086 -12.870 1.00 0.00 O ATOM 819 ND2 ASN B 49 18.200 -2.326 -12.302 1.00 0.00 N ATOM 0 H ASN B 49 15.976 -5.002 -10.733 1.00 0.00 H new ATOM 0 HA ASN B 49 18.618 -5.836 -9.698 1.00 0.00 H new ATOM 0 HB2 ASN B 49 19.701 -3.918 -10.992 1.00 0.00 H new ATOM 0 HB3 ASN B 49 19.272 -5.307 -11.970 1.00 0.00 H new ATOM 0 HD21 ASN B 49 17.611 -1.726 -12.880 1.00 0.00 H new ATOM 0 HD22 ASN B 49 18.974 -1.924 -11.773 1.00 0.00 H new ATOM 826 N PRO B 50 17.276 -4.286 -8.026 1.00 0.00 N ATOM 827 CA PRO B 50 16.907 -3.282 -7.004 1.00 0.00 C ATOM 828 C PRO B 50 18.115 -2.384 -6.663 1.00 0.00 C ATOM 829 O PRO B 50 18.624 -2.386 -5.560 1.00 0.00 O ATOM 830 CB PRO B 50 16.429 -4.116 -5.784 1.00 0.00 C ATOM 831 CG PRO B 50 16.456 -5.616 -6.207 1.00 0.00 C ATOM 832 CD PRO B 50 17.117 -5.693 -7.601 1.00 0.00 C ATOM 0 HA PRO B 50 16.127 -2.600 -7.344 1.00 0.00 H new ATOM 0 HB2 PRO B 50 17.079 -3.947 -4.925 1.00 0.00 H new ATOM 0 HB3 PRO B 50 15.423 -3.819 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO B 50 17.016 -6.208 -5.484 1.00 0.00 H new ATOM 0 HG3 PRO B 50 15.446 -6.024 -6.239 1.00 0.00 H new ATOM 0 HD2 PRO B 50 18.079 -6.202 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.496 -6.250 -8.303 1.00 0.00 H new ATOM 840 N LEU B 51 18.564 -1.604 -7.611 1.00 0.00 N ATOM 841 CA LEU B 51 19.720 -0.694 -7.356 1.00 0.00 C ATOM 842 C LEU B 51 20.932 -1.501 -6.884 1.00 0.00 C ATOM 843 O LEU B 51 20.810 -2.618 -6.423 1.00 0.00 O ATOM 844 CB LEU B 51 19.337 0.326 -6.279 1.00 0.00 C ATOM 845 CG LEU B 51 17.926 0.855 -6.549 1.00 0.00 C ATOM 846 CD1 LEU B 51 17.601 1.968 -5.552 1.00 0.00 C ATOM 847 CD2 LEU B 51 17.848 1.408 -7.977 1.00 0.00 C ATOM 0 H LEU B 51 18.179 -1.558 -8.554 1.00 0.00 H new ATOM 0 HA LEU B 51 19.976 -0.176 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU B 51 19.380 -0.138 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU B 51 20.050 1.150 -6.275 1.00 0.00 H new ATOM 0 HG LEU B 51 17.207 0.044 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU B 51 16.597 2.346 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU B 51 17.654 1.574 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU B 51 18.321 2.779 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU B 51 16.843 1.784 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU B 51 18.567 2.219 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU B 51 18.079 0.614 -8.688 1.00 0.00 H new ATOM 859 N TYR B 52 22.106 -0.935 -6.993 1.00 0.00 N ATOM 860 CA TYR B 52 23.330 -1.658 -6.547 1.00 0.00 C ATOM 861 C TYR B 52 23.343 -3.067 -7.145 1.00 0.00 C ATOM 862 O TYR B 52 22.468 -3.439 -7.903 1.00 0.00 O ATOM 863 CB TYR B 52 23.334 -1.745 -5.013 1.00 0.00 C ATOM 864 CG TYR B 52 24.735 -2.015 -4.513 1.00 0.00 C ATOM 865 CD1 TYR B 52 25.659 -0.966 -4.424 1.00 0.00 C ATOM 866 CD2 TYR B 52 25.110 -3.310 -4.137 1.00 0.00 C ATOM 867 CE1 TYR B 52 26.957 -1.212 -3.960 1.00 0.00 C ATOM 868 CE2 TYR B 52 26.408 -3.556 -3.672 1.00 0.00 C ATOM 869 CZ TYR B 52 27.331 -2.507 -3.583 1.00 0.00 C ATOM 870 OH TYR B 52 28.610 -2.750 -3.124 1.00 0.00 O ATOM 0 H TYR B 52 22.268 -0.002 -7.372 1.00 0.00 H new ATOM 0 HA TYR B 52 24.216 -1.120 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR B 52 22.960 -0.814 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR B 52 22.663 -2.538 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR B 52 25.370 0.034 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR B 52 24.398 -4.120 -4.205 1.00 0.00 H new ATOM 0 HE1 TYR B 52 27.669 -0.403 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR B 52 26.697 -4.555 -3.382 1.00 0.00 H new ATOM 0 HH TYR B 52 28.704 -3.700 -2.904 1.00 0.00 H new ATOM 880 N LYS B 53 24.331 -3.855 -6.809 1.00 0.00 N ATOM 881 CA LYS B 53 24.413 -5.247 -7.348 1.00 0.00 C ATOM 882 C LYS B 53 24.926 -6.178 -6.251 1.00 0.00 C ATOM 883 O LYS B 53 26.037 -6.667 -6.306 1.00 0.00 O ATOM 884 CB LYS B 53 25.379 -5.282 -8.534 1.00 0.00 C ATOM 885 CG LYS B 53 24.754 -4.550 -9.727 1.00 0.00 C ATOM 886 CD LYS B 53 25.753 -4.495 -10.894 1.00 0.00 C ATOM 887 CE LYS B 53 25.738 -5.820 -11.667 1.00 0.00 C ATOM 888 NZ LYS B 53 26.578 -5.686 -12.891 1.00 0.00 N ATOM 0 H LYS B 53 25.090 -3.593 -6.180 1.00 0.00 H new ATOM 0 HA LYS B 53 23.425 -5.570 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS B 53 26.324 -4.812 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS B 53 25.602 -6.314 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS B 53 23.844 -5.061 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS B 53 24.468 -3.540 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS B 53 25.498 -3.673 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS B 53 26.756 -4.298 -10.515 1.00 0.00 H new ATOM 0 HE2 LYS B 53 26.117 -6.625 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS B 53 24.716 -6.083 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 26.570 -6.583 -13.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 26.197 -4.928 -13.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 27.554 -5.453 -12.618 1.00 0.00 H new ATOM 902 N GLU B 54 24.128 -6.426 -5.250 1.00 0.00 N ATOM 903 CA GLU B 54 24.569 -7.323 -4.146 1.00 0.00 C ATOM 904 C GLU B 54 24.500 -8.779 -4.612 1.00 0.00 C ATOM 905 O GLU B 54 24.874 -9.688 -3.898 1.00 0.00 O ATOM 906 CB GLU B 54 23.651 -7.125 -2.937 1.00 0.00 C ATOM 907 CG GLU B 54 24.217 -7.868 -1.722 1.00 0.00 C ATOM 908 CD GLU B 54 23.519 -7.376 -0.453 1.00 0.00 C ATOM 909 OE1 GLU B 54 22.315 -7.189 -0.498 1.00 0.00 O ATOM 910 OE2 GLU B 54 24.202 -7.191 0.541 1.00 0.00 O ATOM 0 H GLU B 54 23.187 -6.045 -5.149 1.00 0.00 H new ATOM 0 HA GLU B 54 25.595 -7.083 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU B 54 23.556 -6.063 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU B 54 22.651 -7.493 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU B 54 24.070 -8.942 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU B 54 25.291 -7.700 -1.647 1.00 0.00 H new ATOM 917 N ALA B 55 24.025 -9.007 -5.806 1.00 0.00 N ATOM 918 CA ALA B 55 23.931 -10.404 -6.320 1.00 0.00 C ATOM 919 C ALA B 55 23.182 -11.271 -5.304 1.00 0.00 C ATOM 920 O ALA B 55 21.978 -11.422 -5.372 1.00 0.00 O ATOM 921 CB ALA B 55 25.338 -10.968 -6.536 1.00 0.00 C ATOM 0 H ALA B 55 23.698 -8.286 -6.449 1.00 0.00 H new ATOM 0 HA ALA B 55 23.392 -10.406 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA B 55 25.267 -11.989 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA B 55 25.870 -10.351 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA B 55 25.880 -10.966 -5.590 1.00 0.00 H new ATOM 927 N THR B 56 23.883 -11.844 -4.363 1.00 0.00 N ATOM 928 CA THR B 56 23.208 -12.699 -3.346 1.00 0.00 C ATOM 929 C THR B 56 24.097 -12.820 -2.106 1.00 0.00 C ATOM 930 O THR B 56 24.204 -13.871 -1.506 1.00 0.00 O ATOM 931 CB THR B 56 22.964 -14.091 -3.935 1.00 0.00 C ATOM 932 OG1 THR B 56 22.585 -14.983 -2.897 1.00 0.00 O ATOM 933 CG2 THR B 56 24.243 -14.595 -4.604 1.00 0.00 C ATOM 0 H THR B 56 24.894 -11.757 -4.255 1.00 0.00 H new ATOM 0 HA THR B 56 22.256 -12.248 -3.066 1.00 0.00 H new ATOM 0 HB THR B 56 22.167 -14.038 -4.676 1.00 0.00 H new ATOM 0 HG1 THR B 56 23.293 -15.018 -2.221 1.00 0.00 H new ATOM 0 HG21 THR B 56 24.068 -15.586 -5.023 1.00 0.00 H new ATOM 0 HG22 THR B 56 24.531 -13.910 -5.401 1.00 0.00 H new ATOM 0 HG23 THR B 56 25.043 -14.649 -3.865 1.00 0.00 H new ATOM 941 N SER B 57 24.736 -11.751 -1.716 1.00 0.00 N ATOM 942 CA SER B 57 25.618 -11.805 -0.515 1.00 0.00 C ATOM 943 C SER B 57 26.550 -13.014 -0.616 1.00 0.00 C ATOM 944 O SER B 57 26.201 -14.112 -0.232 1.00 0.00 O ATOM 945 CB SER B 57 24.756 -11.933 0.742 1.00 0.00 C ATOM 946 OG SER B 57 23.906 -10.798 0.847 1.00 0.00 O ATOM 0 H SER B 57 24.686 -10.842 -2.177 1.00 0.00 H new ATOM 0 HA SER B 57 26.212 -10.893 -0.461 1.00 0.00 H new ATOM 0 HB2 SER B 57 24.160 -12.845 0.697 1.00 0.00 H new ATOM 0 HB3 SER B 57 25.390 -12.010 1.625 1.00 0.00 H new ATOM 0 HG SER B 57 23.351 -10.878 1.651 1.00 0.00 H new ATOM 952 N THR B 58 27.733 -12.821 -1.130 1.00 0.00 N ATOM 953 CA THR B 58 28.684 -13.961 -1.254 1.00 0.00 C ATOM 954 C THR B 58 28.937 -14.566 0.129 1.00 0.00 C ATOM 955 O THR B 58 29.185 -13.864 1.088 1.00 0.00 O ATOM 956 CB THR B 58 30.007 -13.461 -1.842 1.00 0.00 C ATOM 957 OG1 THR B 58 29.740 -12.635 -2.966 1.00 0.00 O ATOM 958 CG2 THR B 58 30.859 -14.656 -2.273 1.00 0.00 C ATOM 0 H THR B 58 28.082 -11.925 -1.469 1.00 0.00 H new ATOM 0 HA THR B 58 28.258 -14.720 -1.911 1.00 0.00 H new ATOM 0 HB THR B 58 30.547 -12.887 -1.089 1.00 0.00 H new ATOM 0 HG1 THR B 58 30.585 -12.312 -3.343 1.00 0.00 H new ATOM 0 HG21 THR B 58 31.800 -14.300 -2.691 1.00 0.00 H new ATOM 0 HG22 THR B 58 31.062 -15.288 -1.409 1.00 0.00 H new ATOM 0 HG23 THR B 58 30.322 -15.233 -3.026 1.00 0.00 H new ATOM 966 N PHE B 59 28.877 -15.865 0.239 1.00 0.00 N ATOM 967 CA PHE B 59 29.115 -16.512 1.560 1.00 0.00 C ATOM 968 C PHE B 59 30.619 -16.573 1.837 1.00 0.00 C ATOM 969 O PHE B 59 31.155 -17.608 2.178 1.00 0.00 O ATOM 970 CB PHE B 59 28.544 -17.931 1.545 1.00 0.00 C ATOM 971 CG PHE B 59 27.051 -17.873 1.329 1.00 0.00 C ATOM 972 CD1 PHE B 59 26.197 -17.621 2.410 1.00 0.00 C ATOM 973 CD2 PHE B 59 26.521 -18.070 0.049 1.00 0.00 C ATOM 974 CE1 PHE B 59 24.814 -17.566 2.209 1.00 0.00 C ATOM 975 CE2 PHE B 59 25.136 -18.017 -0.151 1.00 0.00 C ATOM 976 CZ PHE B 59 24.283 -17.764 0.930 1.00 0.00 C ATOM 0 H PHE B 59 28.674 -16.506 -0.528 1.00 0.00 H new ATOM 0 HA PHE B 59 28.624 -15.930 2.340 1.00 0.00 H new ATOM 0 HB2 PHE B 59 29.014 -18.515 0.753 1.00 0.00 H new ATOM 0 HB3 PHE B 59 28.766 -18.433 2.486 1.00 0.00 H new ATOM 0 HD1 PHE B 59 26.606 -17.469 3.398 1.00 0.00 H new ATOM 0 HD2 PHE B 59 27.180 -18.263 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE B 59 24.155 -17.370 3.042 1.00 0.00 H new ATOM 0 HE2 PHE B 59 24.726 -18.171 -1.138 1.00 0.00 H new ATOM 0 HZ PHE B 59 23.215 -17.722 0.776 1.00 0.00 H new ATOM 986 N THR B 60 31.304 -15.471 1.693 1.00 0.00 N ATOM 987 CA THR B 60 32.772 -15.469 1.949 1.00 0.00 C ATOM 988 C THR B 60 33.027 -15.467 3.458 1.00 0.00 C ATOM 989 O THR B 60 32.329 -14.821 4.214 1.00 0.00 O ATOM 990 CB THR B 60 33.398 -14.221 1.323 1.00 0.00 C ATOM 991 OG1 THR B 60 33.187 -14.241 -0.082 1.00 0.00 O ATOM 992 CG2 THR B 60 34.899 -14.197 1.616 1.00 0.00 C ATOM 0 H THR B 60 30.911 -14.573 1.410 1.00 0.00 H new ATOM 0 HA THR B 60 33.219 -16.359 1.507 1.00 0.00 H new ATOM 0 HB THR B 60 32.934 -13.331 1.748 1.00 0.00 H new ATOM 0 HG1 THR B 60 33.586 -13.441 -0.484 1.00 0.00 H new ATOM 0 HG21 THR B 60 35.343 -13.307 1.169 1.00 0.00 H new ATOM 0 HG22 THR B 60 35.059 -14.180 2.694 1.00 0.00 H new ATOM 0 HG23 THR B 60 35.366 -15.087 1.194 1.00 0.00 H new ATOM 1000 N ASN B 61 34.024 -16.183 3.903 1.00 0.00 N ATOM 1001 CA ASN B 61 34.323 -16.219 5.361 1.00 0.00 C ATOM 1002 C ASN B 61 34.704 -14.818 5.839 1.00 0.00 C ATOM 1003 O ASN B 61 33.861 -13.959 6.009 1.00 0.00 O ATOM 1004 CB ASN B 61 35.487 -17.180 5.617 1.00 0.00 C ATOM 1005 CG ASN B 61 35.883 -17.125 7.094 1.00 0.00 C ATOM 1006 OD1 ASN B 61 35.066 -16.827 7.943 1.00 0.00 O ATOM 1007 ND2 ASN B 61 37.110 -17.402 7.437 1.00 0.00 N ATOM 0 H ASN B 61 34.644 -16.744 3.319 1.00 0.00 H new ATOM 0 HA ASN B 61 33.442 -16.560 5.905 1.00 0.00 H new ATOM 0 HB2 ASN B 61 35.200 -18.196 5.345 1.00 0.00 H new ATOM 0 HB3 ASN B 61 36.338 -16.911 4.992 1.00 0.00 H new ATOM 0 HD21 ASN B 61 37.385 -17.369 8.419 1.00 0.00 H new ATOM 0 HD22 ASN B 61 37.795 -17.652 6.724 1.00 0.00 H new ATOM 1014 N ILE B 62 35.968 -14.576 6.056 1.00 0.00 N ATOM 1015 CA ILE B 62 36.401 -13.229 6.522 1.00 0.00 C ATOM 1016 C ILE B 62 37.894 -13.048 6.240 1.00 0.00 C ATOM 1017 O ILE B 62 38.319 -12.035 5.723 1.00 0.00 O ATOM 1018 CB ILE B 62 36.139 -13.098 8.025 1.00 0.00 C ATOM 1019 CG1 ILE B 62 36.482 -11.675 8.479 1.00 0.00 C ATOM 1020 CG2 ILE B 62 37.002 -14.105 8.793 1.00 0.00 C ATOM 1021 CD1 ILE B 62 36.179 -11.528 9.972 1.00 0.00 C ATOM 0 H ILE B 62 36.720 -15.254 5.930 1.00 0.00 H new ATOM 0 HA ILE B 62 35.838 -12.461 5.991 1.00 0.00 H new ATOM 0 HB ILE B 62 35.088 -13.302 8.227 1.00 0.00 H new ATOM 0 HG12 ILE B 62 37.534 -11.465 8.288 1.00 0.00 H new ATOM 0 HG13 ILE B 62 35.903 -10.950 7.907 1.00 0.00 H new ATOM 0 HG21 ILE B 62 36.811 -14.007 9.862 1.00 0.00 H new ATOM 0 HG22 ILE B 62 36.754 -15.117 8.471 1.00 0.00 H new ATOM 0 HG23 ILE B 62 38.055 -13.909 8.593 1.00 0.00 H new ATOM 0 HD11 ILE B 62 36.423 -10.516 10.295 1.00 0.00 H new ATOM 0 HD12 ILE B 62 35.121 -11.720 10.149 1.00 0.00 H new ATOM 0 HD13 ILE B 62 36.777 -12.243 10.537 1.00 0.00 H new ATOM 1033 N THR B 63 38.693 -14.025 6.574 1.00 0.00 N ATOM 1034 CA THR B 63 40.161 -13.914 6.323 1.00 0.00 C ATOM 1035 C THR B 63 40.474 -14.428 4.916 1.00 0.00 C ATOM 1036 O THR B 63 40.105 -15.527 4.550 1.00 0.00 O ATOM 1037 CB THR B 63 40.920 -14.756 7.351 1.00 0.00 C ATOM 1038 OG1 THR B 63 40.630 -14.279 8.658 1.00 0.00 O ATOM 1039 CG2 THR B 63 42.423 -14.650 7.089 1.00 0.00 C ATOM 0 H THR B 63 38.393 -14.897 7.010 1.00 0.00 H new ATOM 0 HA THR B 63 40.468 -12.872 6.409 1.00 0.00 H new ATOM 0 HB THR B 63 40.612 -15.798 7.267 1.00 0.00 H new ATOM 0 HG1 THR B 63 41.114 -14.818 9.318 1.00 0.00 H new ATOM 0 HG21 THR B 63 42.963 -15.250 7.821 1.00 0.00 H new ATOM 0 HG22 THR B 63 42.644 -15.016 6.086 1.00 0.00 H new ATOM 0 HG23 THR B 63 42.734 -13.609 7.172 1.00 0.00 H new ATOM 1047 N TYR B 64 41.151 -13.643 4.122 1.00 0.00 N ATOM 1048 CA TYR B 64 41.485 -14.090 2.741 1.00 0.00 C ATOM 1049 C TYR B 64 42.630 -15.102 2.794 1.00 0.00 C ATOM 1050 O TYR B 64 42.488 -16.237 2.386 1.00 0.00 O ATOM 1051 CB TYR B 64 41.910 -12.884 1.901 1.00 0.00 C ATOM 1052 CG TYR B 64 40.726 -11.969 1.694 1.00 0.00 C ATOM 1053 CD1 TYR B 64 39.886 -12.152 0.589 1.00 0.00 C ATOM 1054 CD2 TYR B 64 40.469 -10.940 2.607 1.00 0.00 C ATOM 1055 CE1 TYR B 64 38.787 -11.304 0.397 1.00 0.00 C ATOM 1056 CE2 TYR B 64 39.372 -10.091 2.414 1.00 0.00 C ATOM 1057 CZ TYR B 64 38.531 -10.274 1.309 1.00 0.00 C ATOM 1058 OH TYR B 64 37.450 -9.439 1.121 1.00 0.00 O ATOM 0 H TYR B 64 41.487 -12.712 4.371 1.00 0.00 H new ATOM 0 HA TYR B 64 40.609 -14.556 2.290 1.00 0.00 H new ATOM 0 HB2 TYR B 64 42.716 -12.346 2.400 1.00 0.00 H new ATOM 0 HB3 TYR B 64 42.298 -13.217 0.938 1.00 0.00 H new ATOM 0 HD1 TYR B 64 40.085 -12.946 -0.115 1.00 0.00 H new ATOM 0 HD2 TYR B 64 41.116 -10.801 3.460 1.00 0.00 H new ATOM 0 HE1 TYR B 64 38.138 -11.445 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR B 64 39.175 -9.295 3.117 1.00 0.00 H new ATOM 0 HH TYR B 64 37.416 -8.780 1.845 1.00 0.00 H new ATOM 1068 N ARG B 65 43.767 -14.699 3.293 1.00 0.00 N ATOM 1069 CA ARG B 65 44.922 -15.639 3.371 1.00 0.00 C ATOM 1070 C ARG B 65 46.032 -15.007 4.213 1.00 0.00 C ATOM 1071 O ARG B 65 46.884 -15.687 4.748 1.00 0.00 O ATOM 1072 CB ARG B 65 45.446 -15.917 1.960 1.00 0.00 C ATOM 1073 CG ARG B 65 46.399 -17.114 1.993 1.00 0.00 C ATOM 1074 CD ARG B 65 47.134 -17.216 0.655 1.00 0.00 C ATOM 1075 NE ARG B 65 46.180 -16.943 -0.457 1.00 0.00 N ATOM 1076 CZ ARG B 65 46.631 -16.675 -1.653 1.00 0.00 C ATOM 1077 NH1 ARG B 65 47.916 -16.648 -1.875 1.00 0.00 N ATOM 1078 NH2 ARG B 65 45.795 -16.433 -2.626 1.00 0.00 N ATOM 0 H ARG B 65 43.946 -13.760 3.650 1.00 0.00 H new ATOM 0 HA ARG B 65 44.604 -16.574 3.831 1.00 0.00 H new ATOM 0 HB2 ARG B 65 44.614 -16.120 1.286 1.00 0.00 H new ATOM 0 HB3 ARG B 65 45.963 -15.039 1.573 1.00 0.00 H new ATOM 0 HG2 ARG B 65 47.116 -17.000 2.806 1.00 0.00 H new ATOM 0 HG3 ARG B 65 45.842 -18.031 2.185 1.00 0.00 H new ATOM 0 HD2 ARG B 65 47.958 -16.503 0.625 1.00 0.00 H new ATOM 0 HD3 ARG B 65 47.568 -18.209 0.541 1.00 0.00 H new ATOM 0 HE ARG B 65 45.175 -16.965 -0.284 1.00 0.00 H new ATOM 0 HH11 ARG B 65 48.569 -16.836 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG B 65 48.268 -16.439 -2.809 1.00 0.00 H new ATOM 0 HH21 ARG B 65 44.790 -16.453 -2.452 1.00 0.00 H new ATOM 0 HH22 ARG B 65 46.147 -16.224 -3.560 1.00 0.00 H new ATOM 1092 N GLY B 66 46.029 -13.708 4.332 1.00 0.00 N ATOM 1093 CA GLY B 66 47.082 -13.028 5.137 1.00 0.00 C ATOM 1094 C GLY B 66 46.885 -11.514 5.053 1.00 0.00 C ATOM 1095 O GLY B 66 47.797 -10.745 5.284 1.00 0.00 O ATOM 0 H GLY B 66 45.341 -13.087 3.906 1.00 0.00 H new ATOM 0 HA2 GLY B 66 47.030 -13.356 6.175 1.00 0.00 H new ATOM 0 HA3 GLY B 66 48.071 -13.299 4.766 1.00 0.00 H new ATOM 1099 N THR B 67 45.701 -11.080 4.721 1.00 0.00 N ATOM 1100 CA THR B 67 45.444 -9.616 4.619 1.00 0.00 C ATOM 1101 C THR B 67 45.799 -8.943 5.946 1.00 0.00 C ATOM 1102 O THR B 67 46.838 -8.306 6.005 1.00 0.00 O ATOM 1103 CB THR B 67 43.964 -9.377 4.306 1.00 0.00 C ATOM 1104 OG1 THR B 67 43.633 -10.015 3.080 1.00 0.00 O ATOM 1105 CG2 THR B 67 43.701 -7.875 4.189 1.00 0.00 C ATOM 1106 OXT THR B 67 45.027 -9.076 6.881 1.00 0.00 O ATOM 0 H THR B 67 44.899 -11.676 4.516 1.00 0.00 H new ATOM 0 HA THR B 67 46.056 -9.195 3.822 1.00 0.00 H new ATOM 0 HB THR B 67 43.351 -9.789 5.108 1.00 0.00 H new ATOM 0 HG1 THR B 67 42.659 -10.090 3.003 1.00 0.00 H new ATOM 0 HG21 THR B 67 42.647 -7.706 3.966 1.00 0.00 H new ATOM 0 HG22 THR B 67 43.956 -7.387 5.130 1.00 0.00 H new ATOM 0 HG23 THR B 67 44.312 -7.460 3.388 1.00 0.00 H new TER 1114 THR B 67