USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 775 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 87 SER OG : rot -43:sc= 0.268 USER MOD Set 1.2: A 89 GLN : amide:sc= -2.01 K(o=-1.7,f=0.44) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 176:sc= -0.253 (180deg=0) USER MOD Set 2.2: A 80 GLN : amide:sc= -2.2 K(o=-1.6,f=-0.67) USER MOD Set 2.3: A 84 THR OG1 : rot 70:sc= 0.83 USER MOD Set 3.1: A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0126) USER MOD Set 3.2: A 65 TYR OH : rot -63:sc= -0.23 USER MOD Set 4.1: A 50 HIS : no HD1:sc= -0.342 K(o=-0.63,f=-1.2) USER MOD Set 4.2: A 105 CYS SG : rot -43:sc= -0.288 USER MOD Set 5.1: A 44 SER OG : rot 22:sc= 1.08 USER MOD Set 5.2: A 51 SER OG : rot 81:sc= -0.0949 USER MOD Set 5.3: A 52 THR OG1 : rot 17:sc= 1.2 USER MOD Set 6.1: A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.2: A 66 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 41 MET CE :methyl -165:sc= -11.5! (180deg=-12.9!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 2:sc= -0.764 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -21:sc= 0.603 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.048) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 94 ASN : amide:sc= -4.09! C(o=-4.1!,f=-3.9!) USER MOD Single : A 98 ASN : amide:sc= -6.67! C(o=-6.7!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.37) USER MOD Single : A 108 THR OG1 : rot 68:sc= -1.59 USER MOD Single : A 110 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.2) USER MOD Single : A 112 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.2) USER MOD Single : A 113 GLN : amide:sc= -0.786 K(o=-0.79,f=-1.5) USER MOD Single : A 114 ASN : amide:sc= 0.00734 X(o=0.0073,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.48) USER MOD Single : A 119 LYS NZ :NH3+ -139:sc= -0.403 (180deg=-3.37!) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 27 2.998 -2.777 -5.417 1.00 21.32 N ATOM 66 CA LEU A 27 4.184 -3.394 -6.003 1.00 74.35 C ATOM 67 C LEU A 27 3.796 -4.423 -7.061 1.00 54.21 C ATOM 68 O LEU A 27 4.310 -4.403 -8.178 1.00 44.32 O ATOM 69 CB LEU A 27 5.027 -4.058 -4.915 1.00 24.41 C ATOM 70 CG LEU A 27 6.036 -5.104 -5.393 1.00 31.41 C ATOM 71 CD1 LEU A 27 7.422 -4.801 -4.843 1.00 14.40 C ATOM 72 CD2 LEU A 27 5.592 -6.500 -4.981 1.00 20.43 C ATOM 0 HA LEU A 27 4.772 -2.611 -6.482 1.00 74.35 H new ATOM 0 HB2 LEU A 27 5.568 -3.280 -4.377 1.00 24.41 H new ATOM 0 HB3 LEU A 27 4.354 -4.531 -4.200 1.00 24.41 H new ATOM 0 HG LEU A 27 6.083 -5.064 -6.481 1.00 31.41 H new ATOM 0 HD11 LEU A 27 8.126 -5.556 -5.194 1.00 14.40 H new ATOM 0 HD12 LEU A 27 7.743 -3.818 -5.187 1.00 14.40 H new ATOM 0 HD13 LEU A 27 7.392 -4.812 -3.753 1.00 14.40 H new ATOM 0 HD21 LEU A 27 6.321 -7.231 -5.329 1.00 20.43 H new ATOM 0 HD22 LEU A 27 5.516 -6.552 -3.895 1.00 20.43 H new ATOM 0 HD23 LEU A 27 4.620 -6.718 -5.423 1.00 20.43 H new ATOM 84 N ARG A 28 2.883 -5.319 -6.701 1.00 32.34 N ATOM 85 CA ARG A 28 2.425 -6.354 -7.618 1.00 73.44 C ATOM 86 C ARG A 28 1.878 -5.739 -8.903 1.00 34.52 C ATOM 87 O ARG A 28 1.843 -6.389 -9.949 1.00 3.44 O ATOM 88 CB ARG A 28 1.348 -7.215 -6.954 1.00 24.43 C ATOM 89 CG ARG A 28 0.977 -8.452 -7.756 1.00 75.10 C ATOM 90 CD ARG A 28 -0.132 -8.157 -8.753 1.00 45.35 C ATOM 91 NE ARG A 28 -1.156 -9.199 -8.758 1.00 2.23 N ATOM 92 CZ ARG A 28 -2.135 -9.269 -7.863 1.00 61.24 C ATOM 93 NH1 ARG A 28 -2.224 -8.365 -6.898 1.00 44.33 N ATOM 94 NH2 ARG A 28 -3.030 -10.247 -7.934 1.00 12.31 N ATOM 0 H ARG A 28 2.446 -5.348 -5.780 1.00 32.34 H new ATOM 0 HA ARG A 28 3.279 -6.983 -7.871 1.00 73.44 H new ATOM 0 HB2 ARG A 28 1.697 -7.523 -5.968 1.00 24.43 H new ATOM 0 HB3 ARG A 28 0.454 -6.610 -6.801 1.00 24.43 H new ATOM 0 HG2 ARG A 28 1.855 -8.821 -8.286 1.00 75.10 H new ATOM 0 HG3 ARG A 28 0.658 -9.244 -7.079 1.00 75.10 H new ATOM 0 HD2 ARG A 28 -0.591 -7.199 -8.511 1.00 45.35 H new ATOM 0 HD3 ARG A 28 0.294 -8.063 -9.752 1.00 45.35 H new ATOM 0 HE ARG A 28 -1.117 -9.911 -9.488 1.00 2.23 H new ATOM 0 HH11 ARG A 28 -1.539 -7.611 -6.840 1.00 44.33 H new ATOM 0 HH12 ARG A 28 -2.978 -8.423 -6.213 1.00 44.33 H new ATOM 0 HH21 ARG A 28 -2.966 -10.944 -8.676 1.00 12.31 H new ATOM 0 HH22 ARG A 28 -3.782 -10.301 -7.247 1.00 12.31 H new ATOM 108 N ARG A 29 1.452 -4.484 -8.817 1.00 11.21 N ATOM 109 CA ARG A 29 0.905 -3.781 -9.972 1.00 21.22 C ATOM 110 C ARG A 29 2.013 -3.391 -10.945 1.00 65.13 C ATOM 111 O ARG A 29 1.763 -3.171 -12.130 1.00 54.13 O ATOM 112 CB ARG A 29 0.144 -2.533 -9.523 1.00 2.45 C ATOM 113 CG ARG A 29 -1.216 -2.378 -10.184 1.00 35.41 C ATOM 114 CD ARG A 29 -2.314 -3.033 -9.360 1.00 4.31 C ATOM 115 NE ARG A 29 -3.625 -2.899 -9.990 1.00 22.23 N ATOM 116 CZ ARG A 29 -4.288 -1.751 -10.070 1.00 60.41 C ATOM 117 NH1 ARG A 29 -3.766 -0.643 -9.563 1.00 24.10 N ATOM 118 NH2 ARG A 29 -5.476 -1.710 -10.659 1.00 72.44 N ATOM 0 H ARG A 29 1.475 -3.932 -7.959 1.00 11.21 H new ATOM 0 HA ARG A 29 0.216 -4.454 -10.483 1.00 21.22 H new ATOM 0 HB2 ARG A 29 0.011 -2.568 -8.442 1.00 2.45 H new ATOM 0 HB3 ARG A 29 0.747 -1.652 -9.741 1.00 2.45 H new ATOM 0 HG2 ARG A 29 -1.440 -1.319 -10.314 1.00 35.41 H new ATOM 0 HG3 ARG A 29 -1.191 -2.823 -11.179 1.00 35.41 H new ATOM 0 HD2 ARG A 29 -2.084 -4.090 -9.224 1.00 4.31 H new ATOM 0 HD3 ARG A 29 -2.341 -2.582 -8.368 1.00 4.31 H new ATOM 0 HE ARG A 29 -4.055 -3.733 -10.390 1.00 22.23 H new ATOM 0 HH11 ARG A 29 -2.853 -0.671 -9.110 1.00 24.10 H new ATOM 0 HH12 ARG A 29 -4.278 0.237 -9.626 1.00 24.10 H new ATOM 0 HH21 ARG A 29 -5.881 -2.560 -11.051 1.00 72.44 H new ATOM 0 HH22 ARG A 29 -5.985 -0.828 -10.720 1.00 72.44 H new ATOM 132 N ARG A 30 3.239 -3.309 -10.437 1.00 53.41 N ATOM 133 CA ARG A 30 4.384 -2.943 -11.261 1.00 64.05 C ATOM 134 C ARG A 30 4.950 -4.166 -11.977 1.00 62.03 C ATOM 135 O ARG A 30 5.321 -4.096 -13.150 1.00 71.33 O ATOM 136 CB ARG A 30 5.471 -2.294 -10.403 1.00 74.21 C ATOM 137 CG ARG A 30 5.622 -0.800 -10.639 1.00 51.33 C ATOM 138 CD ARG A 30 6.759 -0.217 -9.814 1.00 63.14 C ATOM 139 NE ARG A 30 6.281 0.390 -8.575 1.00 41.52 N ATOM 140 CZ ARG A 30 7.080 0.972 -7.687 1.00 33.33 C ATOM 141 NH1 ARG A 30 8.387 1.025 -7.899 1.00 24.41 N ATOM 142 NH2 ARG A 30 6.569 1.502 -6.582 1.00 64.04 N ATOM 0 H ARG A 30 3.464 -3.491 -9.459 1.00 53.41 H new ATOM 0 HA ARG A 30 4.047 -2.227 -12.010 1.00 64.05 H new ATOM 0 HB2 ARG A 30 5.243 -2.466 -9.351 1.00 74.21 H new ATOM 0 HB3 ARG A 30 6.423 -2.784 -10.607 1.00 74.21 H new ATOM 0 HG2 ARG A 30 5.807 -0.615 -11.697 1.00 51.33 H new ATOM 0 HG3 ARG A 30 4.690 -0.295 -10.385 1.00 51.33 H new ATOM 0 HD2 ARG A 30 7.477 -1.003 -9.579 1.00 63.14 H new ATOM 0 HD3 ARG A 30 7.288 0.532 -10.404 1.00 63.14 H new ATOM 0 HE ARG A 30 5.280 0.366 -8.381 1.00 41.52 H new ATOM 0 HH11 ARG A 30 8.783 0.618 -8.746 1.00 24.41 H new ATOM 0 HH12 ARG A 30 8.997 1.473 -7.215 1.00 24.41 H new ATOM 0 HH21 ARG A 30 5.564 1.462 -6.415 1.00 64.04 H new ATOM 0 HH22 ARG A 30 7.182 1.949 -5.900 1.00 64.04 H new ATOM 156 N LEU A 31 5.014 -5.286 -11.265 1.00 5.11 N ATOM 157 CA LEU A 31 5.535 -6.525 -11.832 1.00 3.33 C ATOM 158 C LEU A 31 4.609 -7.059 -12.919 1.00 34.22 C ATOM 159 O LEU A 31 5.054 -7.709 -13.864 1.00 63.05 O ATOM 160 CB LEU A 31 5.712 -7.576 -10.734 1.00 42.32 C ATOM 161 CG LEU A 31 6.249 -7.066 -9.396 1.00 41.21 C ATOM 162 CD1 LEU A 31 6.564 -8.229 -8.469 1.00 15.13 C ATOM 163 CD2 LEU A 31 7.484 -6.204 -9.611 1.00 50.41 C ATOM 0 H LEU A 31 4.712 -5.361 -10.294 1.00 5.11 H new ATOM 0 HA LEU A 31 6.505 -6.311 -12.281 1.00 3.33 H new ATOM 0 HB2 LEU A 31 4.748 -8.054 -10.557 1.00 42.32 H new ATOM 0 HB3 LEU A 31 6.387 -8.348 -11.103 1.00 42.32 H new ATOM 0 HG LEU A 31 5.479 -6.453 -8.927 1.00 41.21 H new ATOM 0 HD11 LEU A 31 6.945 -7.847 -7.522 1.00 15.13 H new ATOM 0 HD12 LEU A 31 5.657 -8.807 -8.289 1.00 15.13 H new ATOM 0 HD13 LEU A 31 7.316 -8.869 -8.931 1.00 15.13 H new ATOM 0 HD21 LEU A 31 7.853 -5.850 -8.648 1.00 50.41 H new ATOM 0 HD22 LEU A 31 8.258 -6.794 -10.101 1.00 50.41 H new ATOM 0 HD23 LEU A 31 7.227 -5.350 -10.238 1.00 50.41 H new ATOM 175 N ARG A 32 3.317 -6.779 -12.777 1.00 52.45 N ATOM 176 CA ARG A 32 2.327 -7.230 -13.748 1.00 15.11 C ATOM 177 C ARG A 32 2.242 -6.265 -14.927 1.00 42.21 C ATOM 178 O ARG A 32 1.886 -6.656 -16.039 1.00 33.43 O ATOM 179 CB ARG A 32 0.955 -7.363 -13.085 1.00 51.43 C ATOM 180 CG ARG A 32 0.703 -8.732 -12.475 1.00 61.22 C ATOM 181 CD ARG A 32 0.505 -9.791 -13.549 1.00 22.24 C ATOM 182 NE ARG A 32 -0.778 -10.474 -13.413 1.00 70.24 N ATOM 183 CZ ARG A 32 -1.039 -11.369 -12.466 1.00 40.33 C ATOM 184 NH1 ARG A 32 -0.109 -11.685 -11.575 1.00 34.32 N ATOM 185 NH2 ARG A 32 -2.231 -11.948 -12.408 1.00 53.05 N ATOM 0 H ARG A 32 2.932 -6.243 -12.000 1.00 52.45 H new ATOM 0 HA ARG A 32 2.639 -8.205 -14.121 1.00 15.11 H new ATOM 0 HB2 ARG A 32 0.862 -6.605 -12.307 1.00 51.43 H new ATOM 0 HB3 ARG A 32 0.182 -7.157 -13.825 1.00 51.43 H new ATOM 0 HG2 ARG A 32 1.544 -9.009 -11.840 1.00 61.22 H new ATOM 0 HG3 ARG A 32 -0.179 -8.690 -11.836 1.00 61.22 H new ATOM 0 HD2 ARG A 32 0.566 -9.326 -14.533 1.00 22.24 H new ATOM 0 HD3 ARG A 32 1.312 -10.521 -13.492 1.00 22.24 H new ATOM 0 HE ARG A 32 -1.515 -10.252 -14.082 1.00 70.24 H new ATOM 0 HH11 ARG A 32 0.808 -11.241 -11.616 1.00 34.32 H new ATOM 0 HH12 ARG A 32 -0.311 -12.372 -10.849 1.00 34.32 H new ATOM 0 HH21 ARG A 32 -2.949 -11.707 -13.091 1.00 53.05 H new ATOM 0 HH22 ARG A 32 -2.430 -12.635 -11.680 1.00 53.05 H new ATOM 199 N ASP A 33 2.572 -5.003 -14.677 1.00 43.53 N ATOM 200 CA ASP A 33 2.534 -3.982 -15.718 1.00 23.02 C ATOM 201 C ASP A 33 3.771 -4.066 -16.607 1.00 44.01 C ATOM 202 O ASP A 33 3.718 -3.743 -17.795 1.00 13.54 O ATOM 203 CB ASP A 33 2.434 -2.589 -15.092 1.00 63.11 C ATOM 204 CG ASP A 33 2.122 -1.516 -16.116 1.00 44.45 C ATOM 205 OD1 ASP A 33 3.061 -1.058 -16.801 1.00 22.15 O ATOM 206 OD2 ASP A 33 0.939 -1.134 -16.234 1.00 10.12 O ATOM 0 H ASP A 33 2.869 -4.662 -13.763 1.00 43.53 H new ATOM 0 HA ASP A 33 1.653 -4.159 -16.335 1.00 23.02 H new ATOM 0 HB2 ASP A 33 1.659 -2.593 -14.326 1.00 63.11 H new ATOM 0 HB3 ASP A 33 3.373 -2.349 -14.593 1.00 63.11 H new ATOM 211 N LEU A 34 4.883 -4.501 -16.026 1.00 24.15 N ATOM 212 CA LEU A 34 6.135 -4.627 -16.764 1.00 74.15 C ATOM 213 C LEU A 34 5.959 -5.528 -17.983 1.00 73.41 C ATOM 214 O LEU A 34 6.733 -5.455 -18.937 1.00 41.33 O ATOM 215 CB LEU A 34 7.232 -5.187 -15.857 1.00 52.45 C ATOM 216 CG LEU A 34 8.485 -4.322 -15.710 1.00 21.53 C ATOM 217 CD1 LEU A 34 9.538 -5.047 -14.884 1.00 41.32 C ATOM 218 CD2 LEU A 34 9.040 -3.951 -17.078 1.00 31.33 C ATOM 0 H LEU A 34 4.944 -4.773 -15.045 1.00 24.15 H new ATOM 0 HA LEU A 34 6.427 -3.634 -17.106 1.00 74.15 H new ATOM 0 HB2 LEU A 34 6.809 -5.350 -14.866 1.00 52.45 H new ATOM 0 HB3 LEU A 34 7.531 -6.163 -16.241 1.00 52.45 H new ATOM 0 HG LEU A 34 8.212 -3.404 -15.190 1.00 21.53 H new ATOM 0 HD11 LEU A 34 10.423 -4.418 -14.789 1.00 41.32 H new ATOM 0 HD12 LEU A 34 9.138 -5.263 -13.893 1.00 41.32 H new ATOM 0 HD13 LEU A 34 9.808 -5.981 -15.377 1.00 41.32 H new ATOM 0 HD21 LEU A 34 9.931 -3.336 -16.954 1.00 31.33 H new ATOM 0 HD22 LEU A 34 9.298 -4.858 -17.624 1.00 31.33 H new ATOM 0 HD23 LEU A 34 8.288 -3.393 -17.636 1.00 31.33 H new ATOM 230 N ILE A 35 4.936 -6.375 -17.944 1.00 55.20 N ATOM 231 CA ILE A 35 4.656 -7.286 -19.046 1.00 64.53 C ATOM 232 C ILE A 35 4.172 -6.529 -20.277 1.00 55.44 C ATOM 233 O ILE A 35 4.320 -6.999 -21.405 1.00 53.32 O ATOM 234 CB ILE A 35 3.600 -8.337 -18.654 1.00 12.22 C ATOM 235 CG1 ILE A 35 4.021 -9.063 -17.375 1.00 53.13 C ATOM 236 CG2 ILE A 35 3.393 -9.328 -19.789 1.00 32.43 C ATOM 237 CD1 ILE A 35 5.287 -9.876 -17.531 1.00 30.54 C ATOM 0 H ILE A 35 4.287 -6.449 -17.160 1.00 55.20 H new ATOM 0 HA ILE A 35 5.592 -7.794 -19.280 1.00 64.53 H new ATOM 0 HB ILE A 35 2.655 -7.828 -18.465 1.00 12.22 H new ATOM 0 HG12 ILE A 35 4.165 -8.330 -16.581 1.00 53.13 H new ATOM 0 HG13 ILE A 35 3.213 -9.722 -17.058 1.00 53.13 H new ATOM 0 HG21 ILE A 35 2.644 -10.064 -19.497 1.00 32.43 H new ATOM 0 HG22 ILE A 35 3.053 -8.797 -20.678 1.00 32.43 H new ATOM 0 HG23 ILE A 35 4.334 -9.834 -20.006 1.00 32.43 H new ATOM 0 HD11 ILE A 35 5.526 -10.363 -16.585 1.00 30.54 H new ATOM 0 HD12 ILE A 35 5.141 -10.632 -18.302 1.00 30.54 H new ATOM 0 HD13 ILE A 35 6.108 -9.219 -17.818 1.00 30.54 H new ATOM 249 N GLU A 36 3.594 -5.353 -20.052 1.00 62.14 N ATOM 250 CA GLU A 36 3.088 -4.530 -21.144 1.00 4.41 C ATOM 251 C GLU A 36 4.166 -3.574 -21.649 1.00 71.12 C ATOM 252 O GLU A 36 4.305 -3.359 -22.852 1.00 53.25 O ATOM 253 CB GLU A 36 1.861 -3.737 -20.689 1.00 43.45 C ATOM 254 CG GLU A 36 1.342 -2.765 -21.735 1.00 62.52 C ATOM 255 CD GLU A 36 1.588 -1.316 -21.360 1.00 33.22 C ATOM 256 OE1 GLU A 36 0.980 -0.849 -20.375 1.00 3.14 O ATOM 257 OE2 GLU A 36 2.388 -0.651 -22.050 1.00 72.13 O ATOM 0 H GLU A 36 3.465 -4.949 -19.124 1.00 62.14 H new ATOM 0 HA GLU A 36 2.801 -5.192 -21.961 1.00 4.41 H new ATOM 0 HB2 GLU A 36 1.065 -4.434 -20.427 1.00 43.45 H new ATOM 0 HB3 GLU A 36 2.112 -3.184 -19.784 1.00 43.45 H new ATOM 0 HG2 GLU A 36 1.822 -2.975 -22.691 1.00 62.52 H new ATOM 0 HG3 GLU A 36 0.273 -2.924 -21.874 1.00 62.52 H new ATOM 264 N GLY A 37 4.927 -3.005 -20.720 1.00 12.41 N ATOM 265 CA GLY A 37 5.982 -2.078 -21.090 1.00 30.44 C ATOM 266 C GLY A 37 7.032 -2.720 -21.974 1.00 62.23 C ATOM 267 O GLY A 37 7.776 -2.028 -22.667 1.00 74.32 O ATOM 0 H GLY A 37 4.833 -3.169 -19.718 1.00 12.41 H new ATOM 0 HA2 GLY A 37 5.546 -1.225 -21.609 1.00 30.44 H new ATOM 0 HA3 GLY A 37 6.457 -1.693 -20.187 1.00 30.44 H new ATOM 271 N ASN A 38 7.095 -4.048 -21.948 1.00 31.13 N ATOM 272 CA ASN A 38 8.065 -4.783 -22.752 1.00 40.13 C ATOM 273 C ASN A 38 7.446 -6.058 -23.319 1.00 0.42 C ATOM 274 O ASN A 38 6.776 -6.804 -22.606 1.00 70.20 O ATOM 275 CB ASN A 38 9.296 -5.129 -21.913 1.00 34.41 C ATOM 276 CG ASN A 38 10.537 -4.389 -22.374 1.00 11.12 C ATOM 277 OD1 ASN A 38 11.134 -4.730 -23.394 1.00 22.13 O ATOM 278 ND2 ASN A 38 10.929 -3.368 -21.620 1.00 51.25 N ATOM 0 H ASN A 38 6.486 -4.636 -21.379 1.00 31.13 H new ATOM 0 HA ASN A 38 8.368 -4.147 -23.583 1.00 40.13 H new ATOM 0 HB2 ASN A 38 9.100 -4.888 -20.868 1.00 34.41 H new ATOM 0 HB3 ASN A 38 9.477 -6.203 -21.964 1.00 34.41 H new ATOM 0 HD21 ASN A 38 11.757 -2.831 -21.879 1.00 51.25 H new ATOM 0 HD22 ASN A 38 10.402 -3.121 -20.782 1.00 51.25 H new ATOM 285 N ARG A 39 7.677 -6.298 -24.606 1.00 63.20 N ATOM 286 CA ARG A 39 7.143 -7.482 -25.268 1.00 70.55 C ATOM 287 C ARG A 39 7.405 -8.735 -24.438 1.00 75.23 C ATOM 288 O ARG A 39 6.486 -9.498 -24.139 1.00 53.45 O ATOM 289 CB ARG A 39 7.764 -7.639 -26.658 1.00 14.10 C ATOM 290 CG ARG A 39 6.742 -7.658 -27.783 1.00 4.31 C ATOM 291 CD ARG A 39 6.175 -9.052 -27.997 1.00 21.31 C ATOM 292 NE ARG A 39 6.695 -9.675 -29.211 1.00 53.13 N ATOM 293 CZ ARG A 39 6.402 -9.253 -30.437 1.00 14.23 C ATOM 294 NH1 ARG A 39 5.598 -8.212 -30.608 1.00 74.23 N ATOM 295 NH2 ARG A 39 6.914 -9.871 -31.493 1.00 13.32 N ATOM 0 H ARG A 39 8.229 -5.689 -25.210 1.00 63.20 H new ATOM 0 HA ARG A 39 6.065 -7.354 -25.371 1.00 70.55 H new ATOM 0 HB2 ARG A 39 8.464 -6.821 -26.828 1.00 14.10 H new ATOM 0 HB3 ARG A 39 8.341 -8.564 -26.687 1.00 14.10 H new ATOM 0 HG2 ARG A 39 5.932 -6.966 -27.552 1.00 4.31 H new ATOM 0 HG3 ARG A 39 7.207 -7.308 -28.704 1.00 4.31 H new ATOM 0 HD2 ARG A 39 6.416 -9.677 -27.137 1.00 21.31 H new ATOM 0 HD3 ARG A 39 5.088 -8.996 -28.056 1.00 21.31 H new ATOM 0 HE ARG A 39 7.317 -10.478 -29.113 1.00 53.13 H new ATOM 0 HH11 ARG A 39 5.203 -7.734 -29.798 1.00 74.23 H new ATOM 0 HH12 ARG A 39 5.374 -7.890 -31.550 1.00 74.23 H new ATOM 0 HH21 ARG A 39 7.533 -10.671 -31.365 1.00 13.32 H new ATOM 0 HH22 ARG A 39 6.688 -9.546 -32.433 1.00 13.32 H new ATOM 309 N VAL A 40 8.665 -8.941 -24.069 1.00 61.40 N ATOM 310 CA VAL A 40 9.047 -10.101 -23.273 1.00 24.54 C ATOM 311 C VAL A 40 9.547 -9.681 -21.895 1.00 70.21 C ATOM 312 O VAL A 40 10.381 -8.786 -21.772 1.00 43.51 O ATOM 313 CB VAL A 40 10.144 -10.926 -23.974 1.00 32.13 C ATOM 314 CG1 VAL A 40 10.238 -12.317 -23.365 1.00 34.11 C ATOM 315 CG2 VAL A 40 9.874 -11.007 -25.469 1.00 73.42 C ATOM 0 H VAL A 40 9.438 -8.320 -24.308 1.00 61.40 H new ATOM 0 HA VAL A 40 8.154 -10.716 -23.161 1.00 24.54 H new ATOM 0 HB VAL A 40 11.101 -10.426 -23.826 1.00 32.13 H new ATOM 0 HG11 VAL A 40 11.018 -12.885 -23.873 1.00 34.11 H new ATOM 0 HG12 VAL A 40 10.481 -12.235 -22.306 1.00 34.11 H new ATOM 0 HG13 VAL A 40 9.283 -12.830 -23.480 1.00 34.11 H new ATOM 0 HG21 VAL A 40 10.658 -11.593 -25.949 1.00 73.42 H new ATOM 0 HG22 VAL A 40 8.909 -11.484 -25.639 1.00 73.42 H new ATOM 0 HG23 VAL A 40 9.862 -10.002 -25.891 1.00 73.42 H new ATOM 325 N MET A 41 9.030 -10.336 -20.860 1.00 15.44 N ATOM 326 CA MET A 41 9.424 -10.031 -19.490 1.00 35.32 C ATOM 327 C MET A 41 9.791 -11.304 -18.733 1.00 41.33 C ATOM 328 O MET A 41 9.009 -12.253 -18.681 1.00 33.31 O ATOM 329 CB MET A 41 8.294 -9.300 -18.761 1.00 52.14 C ATOM 330 CG MET A 41 8.772 -8.125 -17.924 1.00 33.23 C ATOM 331 SD MET A 41 9.504 -6.814 -18.920 1.00 44.44 S ATOM 332 CE MET A 41 10.996 -6.472 -17.989 1.00 74.21 C ATOM 0 H MET A 41 8.338 -11.081 -20.944 1.00 15.44 H new ATOM 0 HA MET A 41 10.301 -9.385 -19.527 1.00 35.32 H new ATOM 0 HB2 MET A 41 7.571 -8.943 -19.494 1.00 52.14 H new ATOM 0 HB3 MET A 41 7.772 -10.007 -18.116 1.00 52.14 H new ATOM 0 HG2 MET A 41 7.932 -7.721 -17.359 1.00 33.23 H new ATOM 0 HG3 MET A 41 9.505 -8.476 -17.197 1.00 33.23 H new ATOM 0 HE1 MET A 41 11.419 -5.522 -18.315 1.00 74.21 H new ATOM 0 HE2 MET A 41 10.758 -6.417 -16.927 1.00 74.21 H new ATOM 0 HE3 MET A 41 11.721 -7.268 -18.158 1.00 74.21 H new ATOM 342 N ILE A 42 10.986 -11.318 -18.152 1.00 53.11 N ATOM 343 CA ILE A 42 11.455 -12.474 -17.399 1.00 52.13 C ATOM 344 C ILE A 42 12.089 -12.049 -16.079 1.00 23.54 C ATOM 345 O ILE A 42 12.987 -11.207 -16.051 1.00 23.44 O ATOM 346 CB ILE A 42 12.478 -13.295 -18.207 1.00 4.51 C ATOM 347 CG1 ILE A 42 12.911 -12.523 -19.456 1.00 30.04 C ATOM 348 CG2 ILE A 42 11.891 -14.645 -18.588 1.00 43.14 C ATOM 349 CD1 ILE A 42 11.878 -12.537 -20.561 1.00 43.43 C ATOM 0 H ILE A 42 11.647 -10.542 -18.188 1.00 53.11 H new ATOM 0 HA ILE A 42 10.582 -13.095 -17.197 1.00 52.13 H new ATOM 0 HB ILE A 42 13.357 -13.466 -17.586 1.00 4.51 H new ATOM 0 HG12 ILE A 42 13.123 -11.490 -19.180 1.00 30.04 H new ATOM 0 HG13 ILE A 42 13.841 -12.949 -19.833 1.00 30.04 H new ATOM 0 HG21 ILE A 42 12.626 -15.213 -19.158 1.00 43.14 H new ATOM 0 HG22 ILE A 42 11.628 -15.195 -17.685 1.00 43.14 H new ATOM 0 HG23 ILE A 42 10.998 -14.495 -19.194 1.00 43.14 H new ATOM 0 HD11 ILE A 42 12.251 -11.971 -21.415 1.00 43.43 H new ATOM 0 HD12 ILE A 42 11.683 -13.566 -20.864 1.00 43.43 H new ATOM 0 HD13 ILE A 42 10.954 -12.084 -20.201 1.00 43.43 H new ATOM 361 N PHE A 43 11.618 -12.641 -14.986 1.00 2.22 N ATOM 362 CA PHE A 43 12.139 -12.325 -13.661 1.00 25.32 C ATOM 363 C PHE A 43 13.027 -13.452 -13.143 1.00 21.31 C ATOM 364 O PHE A 43 12.802 -14.624 -13.446 1.00 74.52 O ATOM 365 CB PHE A 43 10.989 -12.076 -12.683 1.00 63.40 C ATOM 366 CG PHE A 43 10.158 -10.873 -13.028 1.00 64.33 C ATOM 367 CD1 PHE A 43 9.369 -10.864 -14.167 1.00 70.42 C ATOM 368 CD2 PHE A 43 10.166 -9.752 -12.213 1.00 62.11 C ATOM 369 CE1 PHE A 43 8.605 -9.758 -14.487 1.00 53.15 C ATOM 370 CE2 PHE A 43 9.403 -8.644 -12.528 1.00 54.31 C ATOM 371 CZ PHE A 43 8.621 -8.648 -13.666 1.00 15.31 C ATOM 0 H PHE A 43 10.877 -13.342 -14.992 1.00 2.22 H new ATOM 0 HA PHE A 43 12.741 -11.420 -13.741 1.00 25.32 H new ATOM 0 HB2 PHE A 43 10.347 -12.956 -12.658 1.00 63.40 H new ATOM 0 HB3 PHE A 43 11.397 -11.951 -11.680 1.00 63.40 H new ATOM 0 HD1 PHE A 43 9.351 -11.730 -14.811 1.00 70.42 H new ATOM 0 HD2 PHE A 43 10.776 -9.744 -11.322 1.00 62.11 H new ATOM 0 HE1 PHE A 43 7.996 -9.762 -15.379 1.00 53.15 H new ATOM 0 HE2 PHE A 43 9.418 -7.776 -11.885 1.00 54.31 H new ATOM 0 HZ PHE A 43 8.022 -7.784 -13.914 1.00 15.31 H new ATOM 381 N SER A 44 14.039 -13.090 -12.361 1.00 11.33 N ATOM 382 CA SER A 44 14.965 -14.069 -11.803 1.00 55.12 C ATOM 383 C SER A 44 15.571 -13.563 -10.498 1.00 53.24 C ATOM 384 O SER A 44 15.053 -12.633 -9.879 1.00 23.53 O ATOM 385 CB SER A 44 16.075 -14.382 -12.808 1.00 32.05 C ATOM 386 OG SER A 44 16.246 -15.780 -12.961 1.00 24.31 O ATOM 0 H SER A 44 14.239 -12.125 -12.099 1.00 11.33 H new ATOM 0 HA SER A 44 14.407 -14.982 -11.593 1.00 55.12 H new ATOM 0 HB2 SER A 44 15.833 -13.935 -13.772 1.00 32.05 H new ATOM 0 HB3 SER A 44 17.010 -13.933 -12.473 1.00 32.05 H new ATOM 0 HG SER A 44 15.428 -16.242 -12.682 1.00 24.31 H new ATOM 392 N LYS A 45 16.672 -14.182 -10.087 1.00 2.44 N ATOM 393 CA LYS A 45 17.353 -13.795 -8.856 1.00 40.33 C ATOM 394 C LYS A 45 18.864 -13.934 -9.003 1.00 50.13 C ATOM 395 O LYS A 45 19.370 -14.186 -10.097 1.00 51.14 O ATOM 396 CB LYS A 45 16.862 -14.652 -7.687 1.00 41.11 C ATOM 397 CG LYS A 45 15.677 -14.053 -6.949 1.00 21.43 C ATOM 398 CD LYS A 45 15.698 -14.416 -5.473 1.00 44.40 C ATOM 399 CE LYS A 45 14.505 -15.278 -5.094 1.00 54.41 C ATOM 400 NZ LYS A 45 14.546 -15.684 -3.662 1.00 62.05 N ATOM 0 H LYS A 45 17.112 -14.954 -10.588 1.00 2.44 H new ATOM 0 HA LYS A 45 17.121 -12.749 -8.655 1.00 40.33 H new ATOM 0 HB2 LYS A 45 16.586 -15.638 -8.061 1.00 41.11 H new ATOM 0 HB3 LYS A 45 17.682 -14.796 -6.984 1.00 41.11 H new ATOM 0 HG2 LYS A 45 15.690 -12.969 -7.058 1.00 21.43 H new ATOM 0 HG3 LYS A 45 14.750 -14.408 -7.399 1.00 21.43 H new ATOM 0 HD2 LYS A 45 16.621 -14.948 -5.241 1.00 44.40 H new ATOM 0 HD3 LYS A 45 15.696 -13.506 -4.873 1.00 44.40 H new ATOM 0 HE2 LYS A 45 13.584 -14.729 -5.289 1.00 54.41 H new ATOM 0 HE3 LYS A 45 14.486 -16.168 -5.723 1.00 54.41 H new ATOM 0 HZ1 LYS A 45 13.682 -16.213 -3.426 1.00 62.05 H new ATOM 0 HZ2 LYS A 45 15.377 -16.286 -3.496 1.00 62.05 H new ATOM 0 HZ3 LYS A 45 14.607 -14.836 -3.062 1.00 62.05 H new ATOM 414 N SER A 46 19.580 -13.769 -7.896 1.00 23.11 N ATOM 415 CA SER A 46 21.034 -13.875 -7.902 1.00 43.21 C ATOM 416 C SER A 46 21.474 -15.335 -7.907 1.00 74.43 C ATOM 417 O SER A 46 22.299 -15.745 -8.725 1.00 12.24 O ATOM 418 CB SER A 46 21.624 -13.157 -6.687 1.00 43.32 C ATOM 419 OG SER A 46 21.572 -11.750 -6.851 1.00 33.44 O ATOM 0 H SER A 46 19.176 -13.561 -6.983 1.00 23.11 H new ATOM 0 HA SER A 46 21.403 -13.400 -8.811 1.00 43.21 H new ATOM 0 HB2 SER A 46 21.075 -13.442 -5.790 1.00 43.32 H new ATOM 0 HB3 SER A 46 22.657 -13.471 -6.541 1.00 43.32 H new ATOM 0 HG SER A 46 21.954 -11.314 -6.061 1.00 33.44 H new ATOM 425 N TYR A 47 20.916 -16.116 -6.989 1.00 61.42 N ATOM 426 CA TYR A 47 21.251 -17.532 -6.884 1.00 70.22 C ATOM 427 C TYR A 47 19.991 -18.393 -6.903 1.00 54.23 C ATOM 428 O TYR A 47 19.642 -19.023 -5.904 1.00 14.44 O ATOM 429 CB TYR A 47 22.044 -17.797 -5.604 1.00 1.31 C ATOM 430 CG TYR A 47 22.936 -16.646 -5.195 1.00 72.42 C ATOM 431 CD1 TYR A 47 22.430 -15.568 -4.480 1.00 33.13 C ATOM 432 CD2 TYR A 47 24.286 -16.638 -5.525 1.00 22.00 C ATOM 433 CE1 TYR A 47 23.242 -14.515 -4.106 1.00 54.11 C ATOM 434 CE2 TYR A 47 25.105 -15.590 -5.153 1.00 51.11 C ATOM 435 CZ TYR A 47 24.578 -14.530 -4.444 1.00 51.03 C ATOM 436 OH TYR A 47 25.390 -13.483 -4.072 1.00 22.53 O ATOM 0 H TYR A 47 20.230 -15.793 -6.307 1.00 61.42 H new ATOM 0 HA TYR A 47 21.864 -17.799 -7.745 1.00 70.22 H new ATOM 0 HB2 TYR A 47 21.348 -18.012 -4.793 1.00 1.31 H new ATOM 0 HB3 TYR A 47 22.656 -18.688 -5.744 1.00 1.31 H new ATOM 0 HD1 TYR A 47 21.384 -15.553 -4.212 1.00 33.13 H new ATOM 0 HD2 TYR A 47 24.702 -17.465 -6.082 1.00 22.00 H new ATOM 0 HE1 TYR A 47 22.832 -13.684 -3.551 1.00 54.11 H new ATOM 0 HE2 TYR A 47 26.153 -15.600 -5.416 1.00 51.11 H new ATOM 0 HH TYR A 47 26.303 -13.649 -4.387 1.00 22.53 H new ATOM 446 N CYS A 48 19.314 -18.414 -8.046 1.00 63.40 N ATOM 447 CA CYS A 48 18.092 -19.198 -8.196 1.00 40.54 C ATOM 448 C CYS A 48 18.000 -19.798 -9.595 1.00 11.05 C ATOM 449 O CYS A 48 17.590 -19.143 -10.553 1.00 43.23 O ATOM 450 CB CYS A 48 16.866 -18.326 -7.920 1.00 0.10 C ATOM 451 SG CYS A 48 16.773 -17.697 -6.227 1.00 52.35 S ATOM 0 H CYS A 48 19.590 -17.898 -8.882 1.00 63.40 H new ATOM 0 HA CYS A 48 18.120 -20.013 -7.472 1.00 40.54 H new ATOM 0 HB2 CYS A 48 16.871 -17.482 -8.610 1.00 0.10 H new ATOM 0 HB3 CYS A 48 15.967 -18.905 -8.131 1.00 0.10 H new ATOM 0 HG CYS A 48 17.816 -18.092 -5.559 1.00 52.35 H new ATOM 457 N PRO A 49 18.393 -21.074 -9.717 1.00 74.33 N ATOM 458 CA PRO A 49 18.364 -21.792 -10.996 1.00 23.33 C ATOM 459 C PRO A 49 16.943 -22.080 -11.468 1.00 24.31 C ATOM 460 O PRO A 49 15.984 -21.921 -10.713 1.00 52.24 O ATOM 461 CB PRO A 49 19.100 -23.098 -10.686 1.00 3.40 C ATOM 462 CG PRO A 49 18.922 -23.295 -9.220 1.00 45.34 C ATOM 463 CD PRO A 49 18.893 -21.916 -8.618 1.00 72.43 C ATOM 0 HA PRO A 49 18.817 -21.211 -11.800 1.00 23.33 H new ATOM 0 HB2 PRO A 49 18.682 -23.931 -11.251 1.00 3.40 H new ATOM 0 HB3 PRO A 49 20.155 -23.030 -10.951 1.00 3.40 H new ATOM 0 HG2 PRO A 49 17.998 -23.833 -9.008 1.00 45.34 H new ATOM 0 HG3 PRO A 49 19.738 -23.886 -8.804 1.00 45.34 H new ATOM 0 HD2 PRO A 49 18.238 -21.871 -7.748 1.00 72.43 H new ATOM 0 HD3 PRO A 49 19.883 -21.601 -8.289 1.00 72.43 H new ATOM 471 N HIS A 50 16.816 -22.506 -12.720 1.00 72.24 N ATOM 472 CA HIS A 50 15.511 -22.818 -13.293 1.00 4.32 C ATOM 473 C HIS A 50 14.798 -21.546 -13.745 1.00 30.33 C ATOM 474 O HIS A 50 14.318 -21.460 -14.875 1.00 61.52 O ATOM 475 CB HIS A 50 14.650 -23.566 -12.275 1.00 51.31 C ATOM 476 CG HIS A 50 13.896 -24.720 -12.860 1.00 43.32 C ATOM 477 ND1 HIS A 50 13.436 -25.778 -12.107 1.00 23.42 N ATOM 478 CD2 HIS A 50 13.521 -24.977 -14.135 1.00 71.25 C ATOM 479 CE1 HIS A 50 12.813 -26.638 -12.893 1.00 32.22 C ATOM 480 NE2 HIS A 50 12.850 -26.174 -14.129 1.00 62.33 N ATOM 0 H HIS A 50 17.600 -22.643 -13.358 1.00 72.24 H new ATOM 0 HA HIS A 50 15.666 -23.455 -14.164 1.00 4.32 H new ATOM 0 HB2 HIS A 50 15.288 -23.930 -11.470 1.00 51.31 H new ATOM 0 HB3 HIS A 50 13.941 -22.868 -11.829 1.00 51.31 H new ATOM 0 HD2 HIS A 50 13.714 -24.355 -14.997 1.00 71.25 H new ATOM 0 HE1 HIS A 50 12.352 -27.563 -12.578 1.00 32.22 H new ATOM 0 HE2 HIS A 50 12.446 -26.631 -14.946 1.00 62.33 H new ATOM 488 N SER A 51 14.731 -20.563 -12.854 1.00 4.45 N ATOM 489 CA SER A 51 14.073 -19.298 -13.159 1.00 22.42 C ATOM 490 C SER A 51 14.939 -18.443 -14.078 1.00 54.33 C ATOM 491 O SER A 51 14.432 -17.607 -14.828 1.00 53.24 O ATOM 492 CB SER A 51 13.770 -18.533 -11.869 1.00 75.00 C ATOM 493 OG SER A 51 13.814 -17.133 -12.084 1.00 20.03 O ATOM 0 H SER A 51 15.124 -20.618 -11.915 1.00 4.45 H new ATOM 0 HA SER A 51 13.137 -19.518 -13.672 1.00 22.42 H new ATOM 0 HB2 SER A 51 12.785 -18.816 -11.497 1.00 75.00 H new ATOM 0 HB3 SER A 51 14.492 -18.809 -11.101 1.00 75.00 H new ATOM 0 HG SER A 51 12.968 -16.836 -12.480 1.00 20.03 H new ATOM 499 N THR A 52 16.249 -18.658 -14.017 1.00 72.01 N ATOM 500 CA THR A 52 17.186 -17.907 -14.843 1.00 21.32 C ATOM 501 C THR A 52 17.319 -18.530 -16.228 1.00 1.14 C ATOM 502 O THR A 52 17.308 -17.826 -17.238 1.00 32.11 O ATOM 503 CB THR A 52 18.580 -17.837 -14.189 1.00 12.04 C ATOM 504 OG1 THR A 52 18.546 -16.959 -13.058 1.00 41.14 O ATOM 505 CG2 THR A 52 19.621 -17.351 -15.185 1.00 30.25 C ATOM 0 H THR A 52 16.685 -19.346 -13.404 1.00 72.01 H new ATOM 0 HA THR A 52 16.785 -16.898 -14.938 1.00 21.32 H new ATOM 0 HB THR A 52 18.855 -18.840 -13.862 1.00 12.04 H new ATOM 0 HG1 THR A 52 17.616 -16.810 -12.787 1.00 41.14 H new ATOM 0 HG21 THR A 52 20.597 -17.310 -14.701 1.00 30.25 H new ATOM 0 HG22 THR A 52 19.664 -18.038 -16.030 1.00 30.25 H new ATOM 0 HG23 THR A 52 19.349 -16.357 -15.539 1.00 30.25 H new ATOM 513 N ARG A 53 17.443 -19.852 -16.269 1.00 31.14 N ATOM 514 CA ARG A 53 17.578 -20.569 -17.531 1.00 3.51 C ATOM 515 C ARG A 53 16.463 -20.182 -18.497 1.00 61.22 C ATOM 516 O ARG A 53 16.704 -19.964 -19.685 1.00 12.41 O ATOM 517 CB ARG A 53 17.557 -22.079 -17.289 1.00 63.20 C ATOM 518 CG ARG A 53 16.758 -22.852 -18.326 1.00 43.41 C ATOM 519 CD ARG A 53 17.408 -22.774 -19.700 1.00 32.45 C ATOM 520 NE ARG A 53 17.926 -24.070 -20.132 1.00 71.24 N ATOM 521 CZ ARG A 53 18.777 -24.221 -21.140 1.00 51.54 C ATOM 522 NH1 ARG A 53 19.204 -23.163 -21.816 1.00 43.24 N ATOM 523 NH2 ARG A 53 19.203 -25.432 -21.475 1.00 4.13 N ATOM 0 H ARG A 53 17.453 -20.449 -15.442 1.00 31.14 H new ATOM 0 HA ARG A 53 18.534 -20.293 -17.977 1.00 3.51 H new ATOM 0 HB2 ARG A 53 18.581 -22.451 -17.281 1.00 63.20 H new ATOM 0 HB3 ARG A 53 17.139 -22.274 -16.301 1.00 63.20 H new ATOM 0 HG2 ARG A 53 16.675 -23.895 -18.020 1.00 43.41 H new ATOM 0 HG3 ARG A 53 15.745 -22.453 -18.378 1.00 43.41 H new ATOM 0 HD2 ARG A 53 16.679 -22.414 -20.426 1.00 32.45 H new ATOM 0 HD3 ARG A 53 18.221 -22.048 -19.677 1.00 32.45 H new ATOM 0 HE ARG A 53 17.617 -24.904 -19.632 1.00 71.24 H new ATOM 0 HH11 ARG A 53 18.879 -22.230 -21.562 1.00 43.24 H new ATOM 0 HH12 ARG A 53 19.858 -23.282 -22.590 1.00 43.24 H new ATOM 0 HH21 ARG A 53 18.877 -26.249 -20.958 1.00 4.13 H new ATOM 0 HH22 ARG A 53 19.857 -25.547 -22.250 1.00 4.13 H new ATOM 537 N VAL A 54 15.240 -20.099 -17.980 1.00 64.52 N ATOM 538 CA VAL A 54 14.088 -19.739 -18.796 1.00 54.35 C ATOM 539 C VAL A 54 14.334 -18.437 -19.550 1.00 12.20 C ATOM 540 O VAL A 54 13.711 -18.174 -20.579 1.00 65.45 O ATOM 541 CB VAL A 54 12.817 -19.591 -17.940 1.00 1.04 C ATOM 542 CG1 VAL A 54 12.836 -18.273 -17.180 1.00 75.33 C ATOM 543 CG2 VAL A 54 11.574 -19.698 -18.809 1.00 14.34 C ATOM 0 H VAL A 54 15.023 -20.277 -16.999 1.00 64.52 H new ATOM 0 HA VAL A 54 13.942 -20.548 -19.511 1.00 54.35 H new ATOM 0 HB VAL A 54 12.793 -20.402 -17.212 1.00 1.04 H new ATOM 0 HG11 VAL A 54 11.930 -18.186 -16.580 1.00 75.33 H new ATOM 0 HG12 VAL A 54 13.708 -18.242 -16.527 1.00 75.33 H new ATOM 0 HG13 VAL A 54 12.884 -17.445 -17.888 1.00 75.33 H new ATOM 0 HG21 VAL A 54 10.685 -19.591 -18.187 1.00 14.34 H new ATOM 0 HG22 VAL A 54 11.587 -18.910 -19.562 1.00 14.34 H new ATOM 0 HG23 VAL A 54 11.557 -20.670 -19.302 1.00 14.34 H new ATOM 553 N LYS A 55 15.247 -17.623 -19.031 1.00 51.52 N ATOM 554 CA LYS A 55 15.578 -16.347 -19.654 1.00 2.41 C ATOM 555 C LYS A 55 16.465 -16.553 -20.878 1.00 33.13 C ATOM 556 O LYS A 55 16.414 -15.775 -21.830 1.00 32.34 O ATOM 557 CB LYS A 55 16.282 -15.433 -18.649 1.00 3.53 C ATOM 558 CG LYS A 55 17.796 -15.446 -18.772 1.00 12.44 C ATOM 559 CD LYS A 55 18.460 -14.808 -17.562 1.00 54.20 C ATOM 560 CE LYS A 55 19.971 -14.973 -17.603 1.00 60.11 C ATOM 561 NZ LYS A 55 20.581 -14.215 -18.729 1.00 44.00 N ATOM 0 H LYS A 55 15.771 -17.825 -18.180 1.00 51.52 H new ATOM 0 HA LYS A 55 14.649 -15.876 -19.975 1.00 2.41 H new ATOM 0 HB2 LYS A 55 15.924 -14.413 -18.785 1.00 3.53 H new ATOM 0 HB3 LYS A 55 16.005 -15.736 -17.639 1.00 3.53 H new ATOM 0 HG2 LYS A 55 18.144 -16.473 -18.880 1.00 12.44 H new ATOM 0 HG3 LYS A 55 18.093 -14.912 -19.675 1.00 12.44 H new ATOM 0 HD2 LYS A 55 18.210 -13.748 -17.525 1.00 54.20 H new ATOM 0 HD3 LYS A 55 18.068 -15.260 -16.651 1.00 54.20 H new ATOM 0 HE2 LYS A 55 20.399 -14.631 -16.661 1.00 60.11 H new ATOM 0 HE3 LYS A 55 20.218 -16.030 -17.701 1.00 60.11 H new ATOM 0 HZ1 LYS A 55 21.617 -14.298 -18.683 1.00 44.00 H new ATOM 0 HZ2 LYS A 55 20.243 -14.603 -19.633 1.00 44.00 H new ATOM 0 HZ3 LYS A 55 20.310 -13.213 -18.660 1.00 44.00 H new ATOM 575 N GLU A 56 17.275 -17.606 -20.845 1.00 25.33 N ATOM 576 CA GLU A 56 18.173 -17.915 -21.953 1.00 11.52 C ATOM 577 C GLU A 56 17.387 -18.381 -23.175 1.00 22.04 C ATOM 578 O GLU A 56 17.888 -18.343 -24.300 1.00 35.11 O ATOM 579 CB GLU A 56 19.180 -18.989 -21.538 1.00 42.24 C ATOM 580 CG GLU A 56 20.625 -18.609 -21.817 1.00 14.44 C ATOM 581 CD GLU A 56 21.596 -19.724 -21.483 1.00 22.32 C ATOM 582 OE1 GLU A 56 21.142 -20.785 -21.004 1.00 54.14 O ATOM 583 OE2 GLU A 56 22.812 -19.536 -21.700 1.00 34.02 O ATOM 0 H GLU A 56 17.328 -18.260 -20.064 1.00 25.33 H new ATOM 0 HA GLU A 56 18.713 -17.005 -22.216 1.00 11.52 H new ATOM 0 HB2 GLU A 56 19.065 -19.191 -20.473 1.00 42.24 H new ATOM 0 HB3 GLU A 56 18.949 -19.915 -22.064 1.00 42.24 H new ATOM 0 HG2 GLU A 56 20.730 -18.344 -22.869 1.00 14.44 H new ATOM 0 HG3 GLU A 56 20.882 -17.723 -21.237 1.00 14.44 H new ATOM 590 N LEU A 57 16.155 -18.821 -22.946 1.00 74.11 N ATOM 591 CA LEU A 57 15.299 -19.295 -24.028 1.00 21.33 C ATOM 592 C LEU A 57 15.036 -18.187 -25.041 1.00 51.52 C ATOM 593 O LEU A 57 15.401 -18.301 -26.212 1.00 60.30 O ATOM 594 CB LEU A 57 13.974 -19.813 -23.466 1.00 63.55 C ATOM 595 CG LEU A 57 13.864 -21.329 -23.295 1.00 62.43 C ATOM 596 CD1 LEU A 57 13.662 -22.006 -24.642 1.00 11.11 C ATOM 597 CD2 LEU A 57 15.103 -21.878 -22.601 1.00 61.23 C ATOM 0 H LEU A 57 15.726 -18.860 -22.021 1.00 74.11 H new ATOM 0 HA LEU A 57 15.815 -20.110 -24.536 1.00 21.33 H new ATOM 0 HB2 LEU A 57 13.806 -19.345 -22.496 1.00 63.55 H new ATOM 0 HB3 LEU A 57 13.170 -19.482 -24.123 1.00 63.55 H new ATOM 0 HG LEU A 57 12.996 -21.543 -22.671 1.00 62.43 H new ATOM 0 HD11 LEU A 57 13.586 -23.084 -24.500 1.00 11.11 H new ATOM 0 HD12 LEU A 57 12.746 -21.635 -25.102 1.00 11.11 H new ATOM 0 HD13 LEU A 57 14.509 -21.785 -25.291 1.00 11.11 H new ATOM 0 HD21 LEU A 57 15.008 -22.958 -22.487 1.00 61.23 H new ATOM 0 HD22 LEU A 57 15.985 -21.652 -23.200 1.00 61.23 H new ATOM 0 HD23 LEU A 57 15.204 -21.417 -21.618 1.00 61.23 H new ATOM 609 N PHE A 58 14.403 -17.111 -24.583 1.00 74.40 N ATOM 610 CA PHE A 58 14.092 -15.980 -25.450 1.00 32.13 C ATOM 611 C PHE A 58 15.333 -15.521 -26.211 1.00 14.14 C ATOM 612 O PHE A 58 15.279 -15.275 -27.415 1.00 75.23 O ATOM 613 CB PHE A 58 13.527 -14.821 -24.627 1.00 34.24 C ATOM 614 CG PHE A 58 12.224 -15.144 -23.952 1.00 23.32 C ATOM 615 CD1 PHE A 58 11.052 -15.236 -24.685 1.00 0.10 C ATOM 616 CD2 PHE A 58 12.172 -15.358 -22.583 1.00 70.21 C ATOM 617 CE1 PHE A 58 9.852 -15.533 -24.067 1.00 1.13 C ATOM 618 CE2 PHE A 58 10.975 -15.655 -21.959 1.00 52.02 C ATOM 619 CZ PHE A 58 9.815 -15.744 -22.702 1.00 54.14 C ATOM 0 H PHE A 58 14.096 -16.999 -23.617 1.00 74.40 H new ATOM 0 HA PHE A 58 13.343 -16.303 -26.173 1.00 32.13 H new ATOM 0 HB2 PHE A 58 14.257 -14.533 -23.871 1.00 34.24 H new ATOM 0 HB3 PHE A 58 13.386 -13.958 -25.278 1.00 34.24 H new ATOM 0 HD1 PHE A 58 11.076 -15.074 -25.752 1.00 0.10 H new ATOM 0 HD2 PHE A 58 13.077 -15.292 -21.998 1.00 70.21 H new ATOM 0 HE1 PHE A 58 8.945 -15.600 -24.650 1.00 1.13 H new ATOM 0 HE2 PHE A 58 10.947 -15.817 -20.892 1.00 52.02 H new ATOM 0 HZ PHE A 58 8.879 -15.978 -22.217 1.00 54.14 H new ATOM 629 N SER A 59 16.448 -15.407 -25.498 1.00 4.04 N ATOM 630 CA SER A 59 17.702 -14.973 -26.103 1.00 72.32 C ATOM 631 C SER A 59 18.031 -15.816 -27.331 1.00 65.11 C ATOM 632 O SER A 59 18.335 -15.284 -28.400 1.00 32.53 O ATOM 633 CB SER A 59 18.842 -15.063 -25.087 1.00 60.30 C ATOM 634 OG SER A 59 19.738 -13.975 -25.228 1.00 13.40 O ATOM 0 H SER A 59 16.509 -15.609 -24.500 1.00 4.04 H new ATOM 0 HA SER A 59 17.587 -13.935 -26.416 1.00 72.32 H new ATOM 0 HB2 SER A 59 18.433 -15.073 -24.077 1.00 60.30 H new ATOM 0 HB3 SER A 59 19.380 -16.001 -25.222 1.00 60.30 H new ATOM 0 HG SER A 59 20.456 -14.055 -24.566 1.00 13.40 H new ATOM 640 N SER A 60 17.970 -17.133 -27.171 1.00 31.33 N ATOM 641 CA SER A 60 18.266 -18.052 -28.264 1.00 65.10 C ATOM 642 C SER A 60 17.096 -18.128 -29.241 1.00 64.31 C ATOM 643 O SER A 60 17.176 -18.797 -30.272 1.00 3.00 O ATOM 644 CB SER A 60 18.580 -19.446 -27.718 1.00 41.30 C ATOM 645 OG SER A 60 18.848 -20.358 -28.769 1.00 50.21 O ATOM 0 H SER A 60 17.718 -17.589 -26.294 1.00 31.33 H new ATOM 0 HA SER A 60 19.139 -17.674 -28.796 1.00 65.10 H new ATOM 0 HB2 SER A 60 19.440 -19.393 -27.050 1.00 41.30 H new ATOM 0 HB3 SER A 60 17.739 -19.806 -27.126 1.00 41.30 H new ATOM 0 HG SER A 60 18.461 -20.019 -29.603 1.00 50.21 H new ATOM 651 N LEU A 61 16.011 -17.438 -28.909 1.00 20.20 N ATOM 652 CA LEU A 61 14.823 -17.427 -29.756 1.00 32.42 C ATOM 653 C LEU A 61 14.874 -16.271 -30.750 1.00 64.43 C ATOM 654 O LEU A 61 13.884 -15.965 -31.412 1.00 63.13 O ATOM 655 CB LEU A 61 13.561 -17.321 -28.896 1.00 44.44 C ATOM 656 CG LEU A 61 12.393 -18.218 -29.305 1.00 30.11 C ATOM 657 CD1 LEU A 61 12.200 -18.190 -30.814 1.00 22.33 C ATOM 658 CD2 LEU A 61 12.621 -19.643 -28.821 1.00 51.31 C ATOM 0 H LEU A 61 15.929 -16.879 -28.060 1.00 20.20 H new ATOM 0 HA LEU A 61 14.796 -18.362 -30.316 1.00 32.42 H new ATOM 0 HB2 LEU A 61 13.828 -17.553 -27.865 1.00 44.44 H new ATOM 0 HB3 LEU A 61 13.221 -16.286 -28.912 1.00 44.44 H new ATOM 0 HG LEU A 61 11.486 -17.837 -28.837 1.00 30.11 H new ATOM 0 HD11 LEU A 61 11.364 -18.835 -31.086 1.00 22.33 H new ATOM 0 HD12 LEU A 61 11.991 -17.170 -31.135 1.00 22.33 H new ATOM 0 HD13 LEU A 61 13.107 -18.546 -31.303 1.00 22.33 H new ATOM 0 HD21 LEU A 61 11.780 -20.268 -29.121 1.00 51.31 H new ATOM 0 HD22 LEU A 61 13.539 -20.034 -29.261 1.00 51.31 H new ATOM 0 HD23 LEU A 61 12.708 -19.649 -27.735 1.00 51.31 H new ATOM 670 N GLY A 62 16.037 -15.635 -30.850 1.00 41.12 N ATOM 671 CA GLY A 62 16.197 -14.522 -31.768 1.00 32.33 C ATOM 672 C GLY A 62 15.396 -13.305 -31.348 1.00 11.04 C ATOM 673 O GLY A 62 15.302 -12.328 -32.091 1.00 2.13 O ATOM 0 H GLY A 62 16.871 -15.870 -30.312 1.00 41.12 H new ATOM 0 HA2 GLY A 62 17.252 -14.255 -31.830 1.00 32.33 H new ATOM 0 HA3 GLY A 62 15.887 -14.831 -32.766 1.00 32.33 H new ATOM 677 N VAL A 63 14.816 -13.364 -30.153 1.00 54.54 N ATOM 678 CA VAL A 63 14.019 -12.258 -29.636 1.00 74.01 C ATOM 679 C VAL A 63 14.757 -11.521 -28.524 1.00 21.41 C ATOM 680 O VAL A 63 15.767 -12.002 -28.010 1.00 72.34 O ATOM 681 CB VAL A 63 12.661 -12.748 -29.098 1.00 20.11 C ATOM 682 CG1 VAL A 63 12.781 -13.157 -27.637 1.00 51.34 C ATOM 683 CG2 VAL A 63 11.599 -11.674 -29.274 1.00 60.10 C ATOM 0 H VAL A 63 14.883 -14.165 -29.526 1.00 54.54 H new ATOM 0 HA VAL A 63 13.847 -11.576 -30.469 1.00 74.01 H new ATOM 0 HB VAL A 63 12.357 -13.624 -29.672 1.00 20.11 H new ATOM 0 HG11 VAL A 63 11.812 -13.500 -27.274 1.00 51.34 H new ATOM 0 HG12 VAL A 63 13.510 -13.962 -27.543 1.00 51.34 H new ATOM 0 HG13 VAL A 63 13.108 -12.302 -27.045 1.00 51.34 H new ATOM 0 HG21 VAL A 63 10.646 -12.038 -28.889 1.00 60.10 H new ATOM 0 HG22 VAL A 63 11.893 -10.778 -28.727 1.00 60.10 H new ATOM 0 HG23 VAL A 63 11.495 -11.435 -30.332 1.00 60.10 H new ATOM 693 N VAL A 64 14.246 -10.350 -28.157 1.00 4.01 N ATOM 694 CA VAL A 64 14.857 -9.547 -27.104 1.00 75.12 C ATOM 695 C VAL A 64 13.956 -9.475 -25.875 1.00 61.42 C ATOM 696 O VAL A 64 12.730 -9.490 -25.989 1.00 61.15 O ATOM 697 CB VAL A 64 15.155 -8.117 -27.592 1.00 2.34 C ATOM 698 CG1 VAL A 64 15.985 -7.364 -26.563 1.00 11.23 C ATOM 699 CG2 VAL A 64 15.862 -8.150 -28.938 1.00 40.14 C ATOM 0 H VAL A 64 13.411 -9.937 -28.573 1.00 4.01 H new ATOM 0 HA VAL A 64 15.794 -10.035 -26.836 1.00 75.12 H new ATOM 0 HB VAL A 64 14.209 -7.590 -27.717 1.00 2.34 H new ATOM 0 HG11 VAL A 64 16.186 -6.356 -26.925 1.00 11.23 H new ATOM 0 HG12 VAL A 64 15.437 -7.309 -25.623 1.00 11.23 H new ATOM 0 HG13 VAL A 64 16.928 -7.887 -26.403 1.00 11.23 H new ATOM 0 HG21 VAL A 64 16.065 -7.131 -29.268 1.00 40.14 H new ATOM 0 HG22 VAL A 64 16.802 -8.694 -28.842 1.00 40.14 H new ATOM 0 HG23 VAL A 64 15.227 -8.649 -29.670 1.00 40.14 H new ATOM 709 N TYR A 65 14.572 -9.398 -24.702 1.00 3.02 N ATOM 710 CA TYR A 65 13.827 -9.326 -23.451 1.00 4.41 C ATOM 711 C TYR A 65 14.600 -8.532 -22.401 1.00 30.43 C ATOM 712 O TYR A 65 15.737 -8.123 -22.629 1.00 53.20 O ATOM 713 CB TYR A 65 13.531 -10.732 -22.927 1.00 73.31 C ATOM 714 CG TYR A 65 14.772 -11.519 -22.567 1.00 54.44 C ATOM 715 CD1 TYR A 65 15.414 -12.310 -23.511 1.00 32.43 C ATOM 716 CD2 TYR A 65 15.302 -11.469 -21.284 1.00 50.11 C ATOM 717 CE1 TYR A 65 16.548 -13.031 -23.187 1.00 35.03 C ATOM 718 CE2 TYR A 65 16.435 -12.185 -20.951 1.00 10.13 C ATOM 719 CZ TYR A 65 17.055 -12.964 -21.906 1.00 55.53 C ATOM 720 OH TYR A 65 18.184 -13.679 -21.578 1.00 34.33 O ATOM 0 H TYR A 65 15.586 -9.384 -24.591 1.00 3.02 H new ATOM 0 HA TYR A 65 12.885 -8.813 -23.648 1.00 4.41 H new ATOM 0 HB2 TYR A 65 12.892 -10.656 -22.047 1.00 73.31 H new ATOM 0 HB3 TYR A 65 12.969 -11.281 -23.683 1.00 73.31 H new ATOM 0 HD1 TYR A 65 15.020 -12.363 -24.515 1.00 32.43 H new ATOM 0 HD2 TYR A 65 14.820 -10.860 -20.534 1.00 50.11 H new ATOM 0 HE1 TYR A 65 17.034 -13.643 -23.932 1.00 35.03 H new ATOM 0 HE2 TYR A 65 16.834 -12.135 -19.948 1.00 10.13 H new ATOM 0 HH TYR A 65 18.004 -14.637 -21.675 1.00 34.33 H new ATOM 730 N ASN A 66 13.973 -8.322 -21.248 1.00 52.01 N ATOM 731 CA ASN A 66 14.599 -7.578 -20.162 1.00 62.10 C ATOM 732 C ASN A 66 14.982 -8.509 -19.015 1.00 75.21 C ATOM 733 O ASN A 66 14.265 -9.464 -18.712 1.00 32.12 O ATOM 734 CB ASN A 66 13.657 -6.485 -19.654 1.00 3.05 C ATOM 735 CG ASN A 66 14.194 -5.091 -19.919 1.00 10.33 C ATOM 736 OD1 ASN A 66 13.624 -4.334 -20.705 1.00 4.24 O ATOM 737 ND2 ASN A 66 15.294 -4.746 -19.261 1.00 23.01 N ATOM 0 H ASN A 66 13.032 -8.657 -21.042 1.00 52.01 H new ATOM 0 HA ASN A 66 15.506 -7.114 -20.549 1.00 62.10 H new ATOM 0 HB2 ASN A 66 12.685 -6.595 -20.135 1.00 3.05 H new ATOM 0 HB3 ASN A 66 13.499 -6.613 -18.583 1.00 3.05 H new ATOM 0 HD21 ASN A 66 15.701 -3.821 -19.397 1.00 23.01 H new ATOM 0 HD22 ASN A 66 15.733 -5.406 -18.619 1.00 23.01 H new ATOM 744 N ILE A 67 16.113 -8.223 -18.381 1.00 22.54 N ATOM 745 CA ILE A 67 16.589 -9.033 -17.266 1.00 63.32 C ATOM 746 C ILE A 67 16.364 -8.324 -15.935 1.00 24.50 C ATOM 747 O ILE A 67 16.929 -7.258 -15.684 1.00 34.22 O ATOM 748 CB ILE A 67 18.086 -9.367 -17.411 1.00 34.22 C ATOM 749 CG1 ILE A 67 18.370 -9.946 -18.799 1.00 34.03 C ATOM 750 CG2 ILE A 67 18.519 -10.340 -16.326 1.00 23.35 C ATOM 751 CD1 ILE A 67 19.233 -9.052 -19.661 1.00 61.22 C ATOM 0 H ILE A 67 16.717 -7.437 -18.620 1.00 22.54 H new ATOM 0 HA ILE A 67 16.015 -9.960 -17.282 1.00 63.32 H new ATOM 0 HB ILE A 67 18.661 -8.448 -17.297 1.00 34.22 H new ATOM 0 HG12 ILE A 67 18.861 -10.913 -18.687 1.00 34.03 H new ATOM 0 HG13 ILE A 67 17.424 -10.126 -19.309 1.00 34.03 H new ATOM 0 HG21 ILE A 67 19.579 -10.566 -16.442 1.00 23.35 H new ATOM 0 HG22 ILE A 67 18.348 -9.893 -15.347 1.00 23.35 H new ATOM 0 HG23 ILE A 67 17.940 -11.260 -16.410 1.00 23.35 H new ATOM 0 HD11 ILE A 67 19.393 -9.525 -20.630 1.00 61.22 H new ATOM 0 HD12 ILE A 67 18.735 -8.093 -19.804 1.00 61.22 H new ATOM 0 HD13 ILE A 67 20.194 -8.892 -19.172 1.00 61.22 H new ATOM 763 N LEU A 68 15.539 -8.923 -15.084 1.00 12.11 N ATOM 764 CA LEU A 68 15.241 -8.350 -13.777 1.00 14.54 C ATOM 765 C LEU A 68 15.436 -9.383 -12.671 1.00 43.44 C ATOM 766 O LEU A 68 14.886 -10.482 -12.732 1.00 2.44 O ATOM 767 CB LEU A 68 13.806 -7.819 -13.746 1.00 12.13 C ATOM 768 CG LEU A 68 13.263 -7.274 -15.066 1.00 45.22 C ATOM 769 CD1 LEU A 68 12.284 -8.257 -15.688 1.00 64.01 C ATOM 770 CD2 LEU A 68 12.600 -5.920 -14.853 1.00 21.40 C ATOM 0 H LEU A 68 15.065 -9.805 -15.276 1.00 12.11 H new ATOM 0 HA LEU A 68 15.932 -7.525 -13.604 1.00 14.54 H new ATOM 0 HB2 LEU A 68 13.150 -8.622 -13.411 1.00 12.13 H new ATOM 0 HB3 LEU A 68 13.749 -7.028 -12.999 1.00 12.13 H new ATOM 0 HG LEU A 68 14.099 -7.142 -15.753 1.00 45.22 H new ATOM 0 HD11 LEU A 68 11.908 -7.851 -16.627 1.00 64.01 H new ATOM 0 HD12 LEU A 68 12.790 -9.203 -15.878 1.00 64.01 H new ATOM 0 HD13 LEU A 68 11.451 -8.422 -15.005 1.00 64.01 H new ATOM 0 HD21 LEU A 68 12.219 -5.548 -15.804 1.00 21.40 H new ATOM 0 HD22 LEU A 68 11.775 -6.026 -14.148 1.00 21.40 H new ATOM 0 HD23 LEU A 68 13.330 -5.216 -14.454 1.00 21.40 H new ATOM 782 N GLU A 69 16.224 -9.021 -11.663 1.00 12.13 N ATOM 783 CA GLU A 69 16.490 -9.917 -10.544 1.00 10.44 C ATOM 784 C GLU A 69 15.892 -9.367 -9.252 1.00 34.23 C ATOM 785 O GLU A 69 16.300 -8.312 -8.764 1.00 44.53 O ATOM 786 CB GLU A 69 17.997 -10.121 -10.373 1.00 33.41 C ATOM 787 CG GLU A 69 18.722 -10.417 -11.676 1.00 15.21 C ATOM 788 CD GLU A 69 19.543 -9.241 -12.166 1.00 43.40 C ATOM 789 OE1 GLU A 69 19.110 -8.087 -11.959 1.00 62.22 O ATOM 790 OE2 GLU A 69 20.618 -9.472 -12.758 1.00 32.21 O ATOM 0 H GLU A 69 16.688 -8.115 -11.599 1.00 12.13 H new ATOM 0 HA GLU A 69 16.022 -10.877 -10.762 1.00 10.44 H new ATOM 0 HB2 GLU A 69 18.428 -9.227 -9.922 1.00 33.41 H new ATOM 0 HB3 GLU A 69 18.168 -10.942 -9.677 1.00 33.41 H new ATOM 0 HG2 GLU A 69 19.375 -11.278 -11.537 1.00 15.21 H new ATOM 0 HG3 GLU A 69 17.993 -10.690 -12.439 1.00 15.21 H new ATOM 797 N LEU A 70 14.921 -10.089 -8.703 1.00 2.23 N ATOM 798 CA LEU A 70 14.265 -9.674 -7.467 1.00 33.21 C ATOM 799 C LEU A 70 15.239 -9.711 -6.294 1.00 64.22 C ATOM 800 O LEU A 70 14.971 -9.145 -5.233 1.00 65.32 O ATOM 801 CB LEU A 70 13.065 -10.577 -7.176 1.00 62.44 C ATOM 802 CG LEU A 70 11.967 -10.598 -8.240 1.00 51.44 C ATOM 803 CD1 LEU A 70 11.795 -9.218 -8.856 1.00 31.11 C ATOM 804 CD2 LEU A 70 12.284 -11.627 -9.315 1.00 21.21 C ATOM 0 H LEU A 70 14.571 -10.964 -9.093 1.00 2.23 H new ATOM 0 HA LEU A 70 13.919 -8.649 -7.595 1.00 33.21 H new ATOM 0 HB2 LEU A 70 13.428 -11.595 -7.037 1.00 62.44 H new ATOM 0 HB3 LEU A 70 12.621 -10.264 -6.231 1.00 62.44 H new ATOM 0 HG LEU A 70 11.029 -10.880 -7.761 1.00 51.44 H new ATOM 0 HD11 LEU A 70 11.010 -9.252 -9.611 1.00 31.11 H new ATOM 0 HD12 LEU A 70 11.521 -8.504 -8.079 1.00 31.11 H new ATOM 0 HD13 LEU A 70 12.731 -8.907 -9.320 1.00 31.11 H new ATOM 0 HD21 LEU A 70 11.491 -11.627 -10.063 1.00 21.21 H new ATOM 0 HD22 LEU A 70 13.232 -11.376 -9.791 1.00 21.21 H new ATOM 0 HD23 LEU A 70 12.356 -12.616 -8.862 1.00 21.21 H new ATOM 816 N ASP A 71 16.371 -10.377 -6.492 1.00 21.20 N ATOM 817 CA ASP A 71 17.387 -10.484 -5.451 1.00 62.44 C ATOM 818 C ASP A 71 18.396 -9.345 -5.558 1.00 15.12 C ATOM 819 O ASP A 71 19.357 -9.282 -4.793 1.00 24.22 O ATOM 820 CB ASP A 71 18.108 -11.830 -5.551 1.00 24.45 C ATOM 821 CG ASP A 71 18.136 -12.570 -4.227 1.00 50.22 C ATOM 822 OD1 ASP A 71 17.151 -12.464 -3.468 1.00 61.41 O ATOM 823 OD2 ASP A 71 19.144 -13.254 -3.950 1.00 0.20 O ATOM 0 H ASP A 71 16.608 -10.851 -7.363 1.00 21.20 H new ATOM 0 HA ASP A 71 16.890 -10.416 -4.483 1.00 62.44 H new ATOM 0 HB2 ASP A 71 17.614 -12.449 -6.300 1.00 24.45 H new ATOM 0 HB3 ASP A 71 19.129 -11.667 -5.895 1.00 24.45 H new ATOM 828 N GLN A 72 18.169 -8.447 -6.511 1.00 13.33 N ATOM 829 CA GLN A 72 19.059 -7.311 -6.718 1.00 14.34 C ATOM 830 C GLN A 72 18.395 -6.012 -6.270 1.00 32.20 C ATOM 831 O GLN A 72 19.052 -5.119 -5.734 1.00 64.15 O ATOM 832 CB GLN A 72 19.460 -7.211 -8.190 1.00 31.04 C ATOM 833 CG GLN A 72 20.471 -8.263 -8.617 1.00 35.22 C ATOM 834 CD GLN A 72 21.902 -7.837 -8.354 1.00 60.51 C ATOM 835 OE1 GLN A 72 22.398 -6.883 -8.953 1.00 62.24 O ATOM 836 NE2 GLN A 72 22.575 -8.546 -7.456 1.00 23.11 N ATOM 0 H GLN A 72 17.376 -8.484 -7.152 1.00 13.33 H new ATOM 0 HA GLN A 72 19.954 -7.468 -6.116 1.00 14.34 H new ATOM 0 HB2 GLN A 72 18.567 -7.305 -8.808 1.00 31.04 H new ATOM 0 HB3 GLN A 72 19.876 -6.221 -8.378 1.00 31.04 H new ATOM 0 HG2 GLN A 72 20.269 -9.193 -8.085 1.00 35.22 H new ATOM 0 HG3 GLN A 72 20.347 -8.470 -9.680 1.00 35.22 H new ATOM 0 HE21 GLN A 72 22.124 -9.329 -6.983 1.00 23.11 H new ATOM 0 HE22 GLN A 72 23.543 -8.307 -7.239 1.00 23.11 H new ATOM 845 N VAL A 73 17.088 -5.913 -6.494 1.00 44.45 N ATOM 846 CA VAL A 73 16.336 -4.723 -6.114 1.00 1.44 C ATOM 847 C VAL A 73 16.309 -4.550 -4.599 1.00 62.14 C ATOM 848 O VAL A 73 16.916 -5.330 -3.865 1.00 31.43 O ATOM 849 CB VAL A 73 14.890 -4.783 -6.639 1.00 35.12 C ATOM 850 CG1 VAL A 73 14.875 -4.991 -8.145 1.00 64.23 C ATOM 851 CG2 VAL A 73 14.112 -5.884 -5.932 1.00 42.23 C ATOM 0 H VAL A 73 16.529 -6.642 -6.936 1.00 44.45 H new ATOM 0 HA VAL A 73 16.843 -3.870 -6.565 1.00 1.44 H new ATOM 0 HB VAL A 73 14.405 -3.831 -6.424 1.00 35.12 H new ATOM 0 HG11 VAL A 73 13.844 -5.031 -8.497 1.00 64.23 H new ATOM 0 HG12 VAL A 73 15.393 -4.164 -8.632 1.00 64.23 H new ATOM 0 HG13 VAL A 73 15.377 -5.927 -8.388 1.00 64.23 H new ATOM 0 HG21 VAL A 73 13.092 -5.912 -6.315 1.00 42.23 H new ATOM 0 HG22 VAL A 73 14.595 -6.844 -6.113 1.00 42.23 H new ATOM 0 HG23 VAL A 73 14.092 -5.685 -4.861 1.00 42.23 H new ATOM 861 N ASP A 74 15.603 -3.524 -4.139 1.00 70.41 N ATOM 862 CA ASP A 74 15.495 -3.249 -2.711 1.00 60.23 C ATOM 863 C ASP A 74 14.252 -3.909 -2.123 1.00 51.31 C ATOM 864 O ASP A 74 14.208 -4.225 -0.934 1.00 22.25 O ATOM 865 CB ASP A 74 15.454 -1.741 -2.462 1.00 54.10 C ATOM 866 CG ASP A 74 16.809 -1.087 -2.640 1.00 64.31 C ATOM 867 OD1 ASP A 74 17.801 -1.621 -2.100 1.00 75.54 O ATOM 868 OD2 ASP A 74 16.880 -0.040 -3.317 1.00 31.20 O ATOM 0 H ASP A 74 15.097 -2.868 -4.734 1.00 70.41 H new ATOM 0 HA ASP A 74 16.373 -3.666 -2.218 1.00 60.23 H new ATOM 0 HB2 ASP A 74 14.740 -1.282 -3.146 1.00 54.10 H new ATOM 0 HB3 ASP A 74 15.093 -1.553 -1.451 1.00 54.10 H new ATOM 873 N ASP A 75 13.243 -4.113 -2.963 1.00 3.23 N ATOM 874 CA ASP A 75 11.998 -4.736 -2.526 1.00 45.45 C ATOM 875 C ASP A 75 12.015 -6.235 -2.803 1.00 31.41 C ATOM 876 O ASP A 75 10.971 -6.847 -3.026 1.00 23.31 O ATOM 877 CB ASP A 75 10.805 -4.088 -3.231 1.00 1.23 C ATOM 878 CG ASP A 75 10.996 -2.599 -3.442 1.00 4.54 C ATOM 879 OD1 ASP A 75 11.551 -1.938 -2.540 1.00 20.15 O ATOM 880 OD2 ASP A 75 10.589 -2.093 -4.510 1.00 64.31 O ATOM 0 H ASP A 75 13.262 -3.856 -3.950 1.00 3.23 H new ATOM 0 HA ASP A 75 11.902 -4.585 -1.451 1.00 45.45 H new ATOM 0 HB2 ASP A 75 10.650 -4.572 -4.195 1.00 1.23 H new ATOM 0 HB3 ASP A 75 9.903 -4.256 -2.642 1.00 1.23 H new ATOM 885 N GLY A 76 13.208 -6.822 -2.786 1.00 63.21 N ATOM 886 CA GLY A 76 13.338 -8.246 -3.037 1.00 43.53 C ATOM 887 C GLY A 76 12.399 -9.073 -2.183 1.00 31.45 C ATOM 888 O GLY A 76 12.086 -10.215 -2.519 1.00 44.12 O ATOM 0 H GLY A 76 14.087 -6.337 -2.603 1.00 63.21 H new ATOM 0 HA2 GLY A 76 13.138 -8.446 -4.090 1.00 43.53 H new ATOM 0 HA3 GLY A 76 14.366 -8.554 -2.844 1.00 43.53 H new ATOM 892 N ALA A 77 11.949 -8.498 -1.073 1.00 53.43 N ATOM 893 CA ALA A 77 11.039 -9.190 -0.167 1.00 51.15 C ATOM 894 C ALA A 77 9.626 -9.236 -0.739 1.00 54.22 C ATOM 895 O ALA A 77 9.050 -10.311 -0.909 1.00 3.25 O ATOM 896 CB ALA A 77 11.037 -8.515 1.196 1.00 42.24 C ATOM 0 H ALA A 77 12.200 -7.554 -0.779 1.00 53.43 H new ATOM 0 HA ALA A 77 11.390 -10.215 -0.051 1.00 51.15 H new ATOM 0 HB1 ALA A 77 10.354 -9.042 1.862 1.00 42.24 H new ATOM 0 HB2 ALA A 77 12.043 -8.539 1.615 1.00 42.24 H new ATOM 0 HB3 ALA A 77 10.713 -7.480 1.089 1.00 42.24 H new ATOM 902 N SER A 78 9.072 -8.064 -1.033 1.00 24.30 N ATOM 903 CA SER A 78 7.725 -7.972 -1.581 1.00 12.52 C ATOM 904 C SER A 78 7.722 -8.292 -3.073 1.00 13.34 C ATOM 905 O SER A 78 6.920 -9.099 -3.544 1.00 20.44 O ATOM 906 CB SER A 78 7.152 -6.572 -1.347 1.00 51.15 C ATOM 907 OG SER A 78 7.045 -6.289 0.037 1.00 44.25 O ATOM 0 H SER A 78 9.536 -7.165 -0.901 1.00 24.30 H new ATOM 0 HA SER A 78 7.100 -8.704 -1.069 1.00 12.52 H new ATOM 0 HB2 SER A 78 7.791 -5.830 -1.825 1.00 51.15 H new ATOM 0 HB3 SER A 78 6.170 -6.495 -1.814 1.00 51.15 H new ATOM 0 HG SER A 78 6.678 -5.389 0.159 1.00 44.25 H new ATOM 913 N VAL A 79 8.624 -7.653 -3.811 1.00 15.45 N ATOM 914 CA VAL A 79 8.727 -7.870 -5.250 1.00 32.05 C ATOM 915 C VAL A 79 8.770 -9.358 -5.578 1.00 71.15 C ATOM 916 O VAL A 79 8.201 -9.798 -6.577 1.00 25.42 O ATOM 917 CB VAL A 79 9.980 -7.190 -5.830 1.00 41.25 C ATOM 918 CG1 VAL A 79 11.206 -8.069 -5.634 1.00 55.33 C ATOM 919 CG2 VAL A 79 9.776 -6.868 -7.303 1.00 42.54 C ATOM 0 H VAL A 79 9.294 -6.981 -3.437 1.00 15.45 H new ATOM 0 HA VAL A 79 7.840 -7.427 -5.703 1.00 32.05 H new ATOM 0 HB VAL A 79 10.145 -6.255 -5.295 1.00 41.25 H new ATOM 0 HG11 VAL A 79 12.081 -7.571 -6.051 1.00 55.33 H new ATOM 0 HG12 VAL A 79 11.361 -8.245 -4.570 1.00 55.33 H new ATOM 0 HG13 VAL A 79 11.055 -9.022 -6.141 1.00 55.33 H new ATOM 0 HG21 VAL A 79 10.671 -6.388 -7.698 1.00 42.54 H new ATOM 0 HG22 VAL A 79 9.586 -7.789 -7.854 1.00 42.54 H new ATOM 0 HG23 VAL A 79 8.925 -6.196 -7.414 1.00 42.54 H new ATOM 929 N GLN A 80 9.448 -10.126 -4.733 1.00 33.23 N ATOM 930 CA GLN A 80 9.566 -11.566 -4.935 1.00 14.02 C ATOM 931 C GLN A 80 8.381 -12.301 -4.316 1.00 44.41 C ATOM 932 O GLN A 80 8.049 -13.413 -4.722 1.00 23.42 O ATOM 933 CB GLN A 80 10.874 -12.081 -4.330 1.00 51.15 C ATOM 934 CG GLN A 80 11.359 -13.381 -4.952 1.00 12.02 C ATOM 935 CD GLN A 80 11.521 -14.491 -3.932 1.00 54.04 C ATOM 936 OE1 GLN A 80 11.079 -15.619 -4.151 1.00 23.03 O ATOM 937 NE2 GLN A 80 12.157 -14.176 -2.810 1.00 50.31 N ATOM 0 H GLN A 80 9.924 -9.776 -3.902 1.00 33.23 H new ATOM 0 HA GLN A 80 9.569 -11.759 -6.008 1.00 14.02 H new ATOM 0 HB2 GLN A 80 11.645 -11.320 -4.450 1.00 51.15 H new ATOM 0 HB3 GLN A 80 10.736 -12.229 -3.259 1.00 51.15 H new ATOM 0 HG2 GLN A 80 10.653 -13.698 -5.719 1.00 12.02 H new ATOM 0 HG3 GLN A 80 12.313 -13.208 -5.449 1.00 12.02 H new ATOM 0 HE21 GLN A 80 12.507 -13.228 -2.671 1.00 50.31 H new ATOM 0 HE22 GLN A 80 12.296 -14.882 -2.087 1.00 50.31 H new ATOM 946 N GLU A 81 7.750 -11.671 -3.330 1.00 53.03 N ATOM 947 CA GLU A 81 6.602 -12.267 -2.656 1.00 4.33 C ATOM 948 C GLU A 81 5.408 -12.371 -3.600 1.00 25.11 C ATOM 949 O GLU A 81 4.919 -13.465 -3.880 1.00 73.25 O ATOM 950 CB GLU A 81 6.222 -11.442 -1.424 1.00 20.21 C ATOM 951 CG GLU A 81 4.990 -11.961 -0.702 1.00 2.34 C ATOM 952 CD GLU A 81 3.894 -10.918 -0.595 1.00 11.44 C ATOM 953 OE1 GLU A 81 4.004 -10.030 0.277 1.00 15.33 O ATOM 954 OE2 GLU A 81 2.928 -10.989 -1.382 1.00 61.24 O ATOM 0 H GLU A 81 8.014 -10.750 -2.981 1.00 53.03 H new ATOM 0 HA GLU A 81 6.881 -13.272 -2.341 1.00 4.33 H new ATOM 0 HB2 GLU A 81 7.063 -11.432 -0.730 1.00 20.21 H new ATOM 0 HB3 GLU A 81 6.047 -10.410 -1.728 1.00 20.21 H new ATOM 0 HG2 GLU A 81 4.605 -12.834 -1.229 1.00 2.34 H new ATOM 0 HG3 GLU A 81 5.271 -12.291 0.298 1.00 2.34 H new ATOM 961 N VAL A 82 4.945 -11.224 -4.087 1.00 20.43 N ATOM 962 CA VAL A 82 3.809 -11.185 -5.000 1.00 32.11 C ATOM 963 C VAL A 82 4.119 -11.928 -6.295 1.00 44.22 C ATOM 964 O VAL A 82 3.213 -12.367 -7.004 1.00 21.14 O ATOM 965 CB VAL A 82 3.408 -9.736 -5.335 1.00 72.34 C ATOM 966 CG1 VAL A 82 3.358 -8.890 -4.073 1.00 30.34 C ATOM 967 CG2 VAL A 82 4.371 -9.139 -6.350 1.00 2.53 C ATOM 0 H VAL A 82 5.339 -10.310 -3.865 1.00 20.43 H new ATOM 0 HA VAL A 82 2.978 -11.676 -4.493 1.00 32.11 H new ATOM 0 HB VAL A 82 2.411 -9.746 -5.776 1.00 72.34 H new ATOM 0 HG11 VAL A 82 3.073 -7.870 -4.330 1.00 30.34 H new ATOM 0 HG12 VAL A 82 2.625 -9.309 -3.383 1.00 30.34 H new ATOM 0 HG13 VAL A 82 4.340 -8.884 -3.600 1.00 30.34 H new ATOM 0 HG21 VAL A 82 4.073 -8.115 -6.576 1.00 2.53 H new ATOM 0 HG22 VAL A 82 5.380 -9.141 -5.939 1.00 2.53 H new ATOM 0 HG23 VAL A 82 4.350 -9.733 -7.264 1.00 2.53 H new ATOM 977 N LEU A 83 5.405 -12.065 -6.599 1.00 11.32 N ATOM 978 CA LEU A 83 5.837 -12.756 -7.809 1.00 53.40 C ATOM 979 C LEU A 83 5.870 -14.265 -7.592 1.00 20.13 C ATOM 980 O LEU A 83 5.381 -15.033 -8.421 1.00 65.23 O ATOM 981 CB LEU A 83 7.219 -12.260 -8.238 1.00 3.14 C ATOM 982 CG LEU A 83 7.569 -12.440 -9.715 1.00 15.34 C ATOM 983 CD1 LEU A 83 7.424 -13.897 -10.123 1.00 45.23 C ATOM 984 CD2 LEU A 83 6.689 -11.551 -10.583 1.00 61.22 C ATOM 0 H LEU A 83 6.167 -11.706 -6.024 1.00 11.32 H new ATOM 0 HA LEU A 83 5.118 -12.537 -8.599 1.00 53.40 H new ATOM 0 HB2 LEU A 83 7.294 -11.200 -7.994 1.00 3.14 H new ATOM 0 HB3 LEU A 83 7.970 -12.778 -7.642 1.00 3.14 H new ATOM 0 HG LEU A 83 8.608 -12.144 -9.862 1.00 15.34 H new ATOM 0 HD11 LEU A 83 7.677 -14.006 -11.178 1.00 45.23 H new ATOM 0 HD12 LEU A 83 8.095 -14.511 -9.523 1.00 45.23 H new ATOM 0 HD13 LEU A 83 6.395 -14.219 -9.961 1.00 45.23 H new ATOM 0 HD21 LEU A 83 6.952 -11.692 -11.632 1.00 61.22 H new ATOM 0 HD22 LEU A 83 5.643 -11.816 -10.432 1.00 61.22 H new ATOM 0 HD23 LEU A 83 6.842 -10.508 -10.308 1.00 61.22 H new ATOM 996 N THR A 84 6.448 -14.684 -6.470 1.00 75.22 N ATOM 997 CA THR A 84 6.543 -16.100 -6.144 1.00 30.53 C ATOM 998 C THR A 84 5.168 -16.757 -6.131 1.00 14.43 C ATOM 999 O THR A 84 5.047 -17.969 -6.303 1.00 34.31 O ATOM 1000 CB THR A 84 7.216 -16.318 -4.774 1.00 52.34 C ATOM 1001 OG1 THR A 84 8.612 -16.012 -4.861 1.00 14.15 O ATOM 1002 CG2 THR A 84 7.032 -17.752 -4.303 1.00 63.21 C ATOM 0 H THR A 84 6.857 -14.062 -5.773 1.00 75.22 H new ATOM 0 HA THR A 84 7.155 -16.561 -6.920 1.00 30.53 H new ATOM 0 HB THR A 84 6.744 -15.653 -4.051 1.00 52.34 H new ATOM 0 HG1 THR A 84 8.728 -15.046 -4.979 1.00 14.15 H new ATOM 0 HG21 THR A 84 7.515 -17.882 -3.335 1.00 63.21 H new ATOM 0 HG22 THR A 84 5.968 -17.971 -4.210 1.00 63.21 H new ATOM 0 HG23 THR A 84 7.481 -18.433 -5.026 1.00 63.21 H new ATOM 1010 N GLU A 85 4.133 -15.947 -5.926 1.00 0.21 N ATOM 1011 CA GLU A 85 2.764 -16.451 -5.892 1.00 5.25 C ATOM 1012 C GLU A 85 2.211 -16.618 -7.303 1.00 34.24 C ATOM 1013 O GLU A 85 1.294 -17.408 -7.532 1.00 10.14 O ATOM 1014 CB GLU A 85 1.869 -15.504 -5.089 1.00 64.43 C ATOM 1015 CG GLU A 85 1.417 -16.078 -3.757 1.00 11.34 C ATOM 1016 CD GLU A 85 0.701 -15.056 -2.895 1.00 1.04 C ATOM 1017 OE1 GLU A 85 0.166 -14.077 -3.456 1.00 12.31 O ATOM 1018 OE2 GLU A 85 0.677 -15.234 -1.659 1.00 72.23 O ATOM 0 H GLU A 85 4.216 -14.941 -5.781 1.00 0.21 H new ATOM 0 HA GLU A 85 2.775 -17.427 -5.407 1.00 5.25 H new ATOM 0 HB2 GLU A 85 2.407 -14.573 -4.910 1.00 64.43 H new ATOM 0 HB3 GLU A 85 0.991 -15.255 -5.685 1.00 64.43 H new ATOM 0 HG2 GLU A 85 0.754 -16.925 -3.936 1.00 11.34 H new ATOM 0 HG3 GLU A 85 2.284 -16.460 -3.217 1.00 11.34 H new ATOM 1025 N ILE A 86 2.772 -15.868 -8.246 1.00 21.41 N ATOM 1026 CA ILE A 86 2.335 -15.934 -9.635 1.00 35.22 C ATOM 1027 C ILE A 86 2.481 -17.346 -10.191 1.00 60.32 C ATOM 1028 O ILE A 86 1.638 -17.812 -10.958 1.00 25.54 O ATOM 1029 CB ILE A 86 3.131 -14.960 -10.522 1.00 22.04 C ATOM 1030 CG1 ILE A 86 2.964 -13.525 -10.019 1.00 52.24 C ATOM 1031 CG2 ILE A 86 2.683 -15.075 -11.971 1.00 73.24 C ATOM 1032 CD1 ILE A 86 3.666 -12.497 -10.879 1.00 65.51 C ATOM 0 H ILE A 86 3.530 -15.208 -8.073 1.00 21.41 H new ATOM 0 HA ILE A 86 1.283 -15.648 -9.649 1.00 35.22 H new ATOM 0 HB ILE A 86 4.187 -15.223 -10.467 1.00 22.04 H new ATOM 0 HG12 ILE A 86 1.902 -13.285 -9.975 1.00 52.24 H new ATOM 0 HG13 ILE A 86 3.348 -13.458 -9.001 1.00 52.24 H new ATOM 0 HG21 ILE A 86 3.255 -14.380 -12.585 1.00 73.24 H new ATOM 0 HG22 ILE A 86 2.850 -16.093 -12.324 1.00 73.24 H new ATOM 0 HG23 ILE A 86 1.622 -14.835 -12.044 1.00 73.24 H new ATOM 0 HD11 ILE A 86 3.504 -11.503 -10.462 1.00 65.51 H new ATOM 0 HD12 ILE A 86 4.734 -12.711 -10.903 1.00 65.51 H new ATOM 0 HD13 ILE A 86 3.265 -12.535 -11.892 1.00 65.51 H new ATOM 1044 N SER A 87 3.556 -18.023 -9.798 1.00 72.33 N ATOM 1045 CA SER A 87 3.814 -19.382 -10.259 1.00 22.24 C ATOM 1046 C SER A 87 3.834 -20.358 -9.087 1.00 71.20 C ATOM 1047 O SER A 87 3.818 -21.574 -9.278 1.00 24.24 O ATOM 1048 CB SER A 87 5.144 -19.444 -11.012 1.00 25.02 C ATOM 1049 OG SER A 87 4.990 -20.083 -12.267 1.00 24.43 O ATOM 0 H SER A 87 4.262 -17.652 -9.162 1.00 72.33 H new ATOM 0 HA SER A 87 3.009 -19.669 -10.935 1.00 22.24 H new ATOM 0 HB2 SER A 87 5.530 -18.435 -11.159 1.00 25.02 H new ATOM 0 HB3 SER A 87 5.879 -19.982 -10.414 1.00 25.02 H new ATOM 0 HG SER A 87 4.423 -20.876 -12.163 1.00 24.43 H new ATOM 1055 N ASN A 88 3.868 -19.817 -7.874 1.00 3.32 N ATOM 1056 CA ASN A 88 3.892 -20.638 -6.670 1.00 35.42 C ATOM 1057 C ASN A 88 5.024 -21.659 -6.729 1.00 35.50 C ATOM 1058 O ASN A 88 4.841 -22.824 -6.378 1.00 71.44 O ATOM 1059 CB ASN A 88 2.552 -21.357 -6.491 1.00 72.22 C ATOM 1060 CG ASN A 88 2.166 -21.508 -5.032 1.00 63.45 C ATOM 1061 OD1 ASN A 88 1.880 -22.611 -4.566 1.00 2.41 O ATOM 1062 ND2 ASN A 88 2.157 -20.397 -4.305 1.00 61.51 N ATOM 0 H ASN A 88 3.880 -18.812 -7.699 1.00 3.32 H new ATOM 0 HA ASN A 88 4.063 -19.981 -5.817 1.00 35.42 H new ATOM 0 HB2 ASN A 88 1.773 -20.803 -7.014 1.00 72.22 H new ATOM 0 HB3 ASN A 88 2.607 -22.343 -6.953 1.00 72.22 H new ATOM 0 HD21 ASN A 88 1.906 -20.436 -3.317 1.00 61.51 H new ATOM 0 HD22 ASN A 88 2.401 -19.505 -4.734 1.00 61.51 H new ATOM 1069 N GLN A 89 6.194 -21.212 -7.175 1.00 20.31 N ATOM 1070 CA GLN A 89 7.356 -22.086 -7.279 1.00 54.04 C ATOM 1071 C GLN A 89 8.510 -21.561 -6.432 1.00 63.33 C ATOM 1072 O GLN A 89 8.645 -20.356 -6.227 1.00 2.41 O ATOM 1073 CB GLN A 89 7.795 -22.212 -8.740 1.00 43.11 C ATOM 1074 CG GLN A 89 7.140 -23.371 -9.474 1.00 65.41 C ATOM 1075 CD GLN A 89 6.231 -22.912 -10.598 1.00 4.33 C ATOM 1076 OE1 GLN A 89 5.086 -23.351 -10.703 1.00 42.53 O ATOM 1077 NE2 GLN A 89 6.738 -22.022 -11.444 1.00 25.22 N ATOM 0 H GLN A 89 6.362 -20.250 -7.470 1.00 20.31 H new ATOM 0 HA GLN A 89 7.074 -23.070 -6.905 1.00 54.04 H new ATOM 0 HB2 GLN A 89 7.562 -21.284 -9.262 1.00 43.11 H new ATOM 0 HB3 GLN A 89 8.877 -22.335 -8.776 1.00 43.11 H new ATOM 0 HG2 GLN A 89 7.914 -24.022 -9.881 1.00 65.41 H new ATOM 0 HG3 GLN A 89 6.563 -23.965 -8.765 1.00 65.41 H new ATOM 0 HE21 GLN A 89 7.693 -21.685 -11.319 1.00 25.22 H new ATOM 0 HE22 GLN A 89 6.173 -21.675 -12.219 1.00 25.22 H new ATOM 1086 N LYS A 90 9.341 -22.476 -5.943 1.00 53.12 N ATOM 1087 CA LYS A 90 10.485 -22.107 -5.118 1.00 4.52 C ATOM 1088 C LYS A 90 11.233 -20.923 -5.724 1.00 71.24 C ATOM 1089 O LYS A 90 11.619 -19.991 -5.017 1.00 62.11 O ATOM 1090 CB LYS A 90 11.433 -23.298 -4.963 1.00 4.42 C ATOM 1091 CG LYS A 90 11.880 -23.896 -6.286 1.00 4.13 C ATOM 1092 CD LYS A 90 12.477 -25.280 -6.098 1.00 41.00 C ATOM 1093 CE LYS A 90 13.828 -25.215 -5.401 1.00 70.43 C ATOM 1094 NZ LYS A 90 14.243 -26.544 -4.872 1.00 11.14 N ATOM 0 H LYS A 90 9.243 -23.478 -6.104 1.00 53.12 H new ATOM 0 HA LYS A 90 10.114 -21.816 -4.135 1.00 4.52 H new ATOM 0 HB2 LYS A 90 12.312 -22.981 -4.402 1.00 4.42 H new ATOM 0 HB3 LYS A 90 10.939 -24.070 -4.373 1.00 4.42 H new ATOM 0 HG2 LYS A 90 11.030 -23.955 -6.966 1.00 4.13 H new ATOM 0 HG3 LYS A 90 12.616 -23.241 -6.752 1.00 4.13 H new ATOM 0 HD2 LYS A 90 11.794 -25.896 -5.513 1.00 41.00 H new ATOM 0 HD3 LYS A 90 12.590 -25.763 -7.068 1.00 41.00 H new ATOM 0 HE2 LYS A 90 14.581 -24.851 -6.101 1.00 70.43 H new ATOM 0 HE3 LYS A 90 13.780 -24.497 -4.582 1.00 70.43 H new ATOM 0 HZ1 LYS A 90 15.168 -26.458 -4.404 1.00 11.14 H new ATOM 0 HZ2 LYS A 90 13.538 -26.880 -4.185 1.00 11.14 H new ATOM 0 HZ3 LYS A 90 14.313 -27.223 -5.656 1.00 11.14 H new ATOM 1108 N THR A 91 11.434 -20.965 -7.037 1.00 64.41 N ATOM 1109 CA THR A 91 12.135 -19.897 -7.738 1.00 43.12 C ATOM 1110 C THR A 91 11.172 -18.798 -8.170 1.00 31.22 C ATOM 1111 O THR A 91 9.988 -18.828 -7.833 1.00 63.01 O ATOM 1112 CB THR A 91 12.877 -20.431 -8.979 1.00 4.13 C ATOM 1113 OG1 THR A 91 12.196 -21.577 -9.501 1.00 3.34 O ATOM 1114 CG2 THR A 91 14.312 -20.799 -8.634 1.00 71.20 C ATOM 0 H THR A 91 11.121 -21.728 -7.637 1.00 64.41 H new ATOM 0 HA THR A 91 12.862 -19.485 -7.039 1.00 43.12 H new ATOM 0 HB THR A 91 12.892 -19.644 -9.733 1.00 4.13 H new ATOM 0 HG1 THR A 91 12.673 -21.909 -10.290 1.00 3.34 H new ATOM 0 HG21 THR A 91 14.816 -21.173 -9.525 1.00 71.20 H new ATOM 0 HG22 THR A 91 14.835 -19.917 -8.265 1.00 71.20 H new ATOM 0 HG23 THR A 91 14.315 -21.571 -7.864 1.00 71.20 H new ATOM 1122 N VAL A 92 11.686 -17.827 -8.919 1.00 32.13 N ATOM 1123 CA VAL A 92 10.870 -16.718 -9.398 1.00 55.12 C ATOM 1124 C VAL A 92 10.771 -16.727 -10.920 1.00 43.11 C ATOM 1125 O VAL A 92 11.057 -15.735 -11.592 1.00 5.24 O ATOM 1126 CB VAL A 92 11.438 -15.362 -8.939 1.00 43.15 C ATOM 1127 CG1 VAL A 92 10.345 -14.306 -8.911 1.00 15.40 C ATOM 1128 CG2 VAL A 92 12.098 -15.496 -7.575 1.00 75.34 C ATOM 0 H VAL A 92 12.664 -17.786 -9.207 1.00 32.13 H new ATOM 0 HA VAL A 92 9.876 -16.849 -8.971 1.00 55.12 H new ATOM 0 HB VAL A 92 12.196 -15.044 -9.655 1.00 43.15 H new ATOM 0 HG11 VAL A 92 10.766 -13.355 -8.584 1.00 15.40 H new ATOM 0 HG12 VAL A 92 9.923 -14.192 -9.910 1.00 15.40 H new ATOM 0 HG13 VAL A 92 9.561 -14.612 -8.219 1.00 15.40 H new ATOM 0 HG21 VAL A 92 12.494 -14.529 -7.266 1.00 75.34 H new ATOM 0 HG22 VAL A 92 11.362 -15.837 -6.847 1.00 75.34 H new ATOM 0 HG23 VAL A 92 12.912 -16.219 -7.634 1.00 75.34 H new ATOM 1138 N PRO A 93 10.355 -17.873 -11.479 1.00 43.33 N ATOM 1139 CA PRO A 93 10.208 -18.039 -12.928 1.00 52.35 C ATOM 1140 C PRO A 93 9.044 -17.228 -13.490 1.00 34.14 C ATOM 1141 O PRO A 93 7.904 -17.377 -13.051 1.00 53.04 O ATOM 1142 CB PRO A 93 9.943 -19.537 -13.089 1.00 35.14 C ATOM 1143 CG PRO A 93 9.351 -19.958 -11.788 1.00 73.41 C ATOM 1144 CD PRO A 93 9.997 -19.095 -10.740 1.00 55.02 C ATOM 0 HA PRO A 93 11.086 -17.687 -13.469 1.00 52.35 H new ATOM 0 HB2 PRO A 93 9.260 -19.732 -13.916 1.00 35.14 H new ATOM 0 HB3 PRO A 93 10.863 -20.082 -13.300 1.00 35.14 H new ATOM 0 HG2 PRO A 93 8.269 -19.825 -11.790 1.00 73.41 H new ATOM 0 HG3 PRO A 93 9.542 -21.014 -11.596 1.00 73.41 H new ATOM 0 HD2 PRO A 93 9.314 -18.882 -9.918 1.00 55.02 H new ATOM 0 HD3 PRO A 93 10.875 -19.576 -10.309 1.00 55.02 H new ATOM 1152 N ASN A 94 9.339 -16.371 -14.461 1.00 24.31 N ATOM 1153 CA ASN A 94 8.317 -15.537 -15.082 1.00 50.00 C ATOM 1154 C ASN A 94 8.474 -15.522 -16.599 1.00 62.33 C ATOM 1155 O ASN A 94 9.485 -15.053 -17.123 1.00 55.25 O ATOM 1156 CB ASN A 94 8.393 -14.110 -14.535 1.00 55.22 C ATOM 1157 CG ASN A 94 7.182 -13.747 -13.696 1.00 22.22 C ATOM 1158 OD1 ASN A 94 6.671 -12.630 -13.774 1.00 33.11 O ATOM 1159 ND2 ASN A 94 6.719 -14.693 -12.887 1.00 72.31 N ATOM 0 H ASN A 94 10.278 -16.236 -14.835 1.00 24.31 H new ATOM 0 HA ASN A 94 7.342 -15.960 -14.841 1.00 50.00 H new ATOM 0 HB2 ASN A 94 9.295 -14.002 -13.932 1.00 55.22 H new ATOM 0 HB3 ASN A 94 8.479 -13.409 -15.366 1.00 55.22 H new ATOM 0 HD21 ASN A 94 5.908 -14.508 -12.297 1.00 72.31 H new ATOM 0 HD22 ASN A 94 7.175 -15.605 -12.855 1.00 72.31 H new ATOM 1166 N ILE A 95 7.469 -16.037 -17.298 1.00 35.10 N ATOM 1167 CA ILE A 95 7.495 -16.082 -18.754 1.00 43.42 C ATOM 1168 C ILE A 95 6.188 -15.562 -19.344 1.00 54.23 C ATOM 1169 O ILE A 95 5.178 -16.266 -19.360 1.00 21.31 O ATOM 1170 CB ILE A 95 7.745 -17.511 -19.270 1.00 2.00 C ATOM 1171 CG1 ILE A 95 7.263 -18.538 -18.244 1.00 75.42 C ATOM 1172 CG2 ILE A 95 9.221 -17.712 -19.576 1.00 24.41 C ATOM 1173 CD1 ILE A 95 8.285 -18.851 -17.175 1.00 1.42 C ATOM 0 H ILE A 95 6.626 -16.429 -16.879 1.00 35.10 H new ATOM 0 HA ILE A 95 8.316 -15.441 -19.074 1.00 43.42 H new ATOM 0 HB ILE A 95 7.180 -17.654 -20.191 1.00 2.00 H new ATOM 0 HG12 ILE A 95 6.355 -18.166 -17.769 1.00 75.42 H new ATOM 0 HG13 ILE A 95 6.997 -19.460 -18.762 1.00 75.42 H new ATOM 0 HG21 ILE A 95 9.382 -18.727 -19.940 1.00 24.41 H new ATOM 0 HG22 ILE A 95 9.535 -16.999 -20.338 1.00 24.41 H new ATOM 0 HG23 ILE A 95 9.805 -17.554 -18.669 1.00 24.41 H new ATOM 0 HD11 ILE A 95 7.874 -19.586 -16.483 1.00 1.42 H new ATOM 0 HD12 ILE A 95 9.186 -19.253 -17.639 1.00 1.42 H new ATOM 0 HD13 ILE A 95 8.533 -17.940 -16.631 1.00 1.42 H new ATOM 1185 N PHE A 96 6.215 -14.325 -19.830 1.00 33.42 N ATOM 1186 CA PHE A 96 5.032 -13.710 -20.421 1.00 74.32 C ATOM 1187 C PHE A 96 5.414 -12.820 -21.600 1.00 32.50 C ATOM 1188 O PHE A 96 6.071 -11.792 -21.430 1.00 75.20 O ATOM 1189 CB PHE A 96 4.278 -12.891 -19.372 1.00 72.54 C ATOM 1190 CG PHE A 96 3.987 -13.654 -18.112 1.00 32.34 C ATOM 1191 CD1 PHE A 96 4.963 -13.812 -17.141 1.00 3.45 C ATOM 1192 CD2 PHE A 96 2.738 -14.213 -17.897 1.00 73.34 C ATOM 1193 CE1 PHE A 96 4.698 -14.514 -15.980 1.00 53.31 C ATOM 1194 CE2 PHE A 96 2.466 -14.916 -16.738 1.00 22.03 C ATOM 1195 CZ PHE A 96 3.448 -15.065 -15.778 1.00 63.53 C ATOM 0 H PHE A 96 7.043 -13.729 -19.826 1.00 33.42 H new ATOM 0 HA PHE A 96 4.383 -14.506 -20.785 1.00 74.32 H new ATOM 0 HB2 PHE A 96 4.864 -12.006 -19.124 1.00 72.54 H new ATOM 0 HB3 PHE A 96 3.339 -12.542 -19.801 1.00 72.54 H new ATOM 0 HD1 PHE A 96 5.942 -13.382 -17.293 1.00 3.45 H new ATOM 0 HD2 PHE A 96 1.967 -14.098 -18.644 1.00 73.34 H new ATOM 0 HE1 PHE A 96 5.468 -14.631 -15.232 1.00 53.31 H new ATOM 0 HE2 PHE A 96 1.488 -15.348 -16.584 1.00 22.03 H new ATOM 0 HZ PHE A 96 3.238 -15.612 -14.871 1.00 63.53 H new ATOM 1205 N VAL A 97 4.999 -13.223 -22.798 1.00 11.42 N ATOM 1206 CA VAL A 97 5.296 -12.463 -24.006 1.00 2.24 C ATOM 1207 C VAL A 97 4.018 -11.968 -24.672 1.00 1.31 C ATOM 1208 O VAL A 97 3.004 -12.663 -24.684 1.00 72.21 O ATOM 1209 CB VAL A 97 6.097 -13.305 -25.017 1.00 21.43 C ATOM 1210 CG1 VAL A 97 5.199 -14.338 -25.679 1.00 23.24 C ATOM 1211 CG2 VAL A 97 6.750 -12.408 -26.058 1.00 21.35 C ATOM 0 H VAL A 97 4.456 -14.072 -22.957 1.00 11.42 H new ATOM 0 HA VAL A 97 5.898 -11.607 -23.701 1.00 2.24 H new ATOM 0 HB VAL A 97 6.885 -13.833 -24.481 1.00 21.43 H new ATOM 0 HG11 VAL A 97 5.781 -14.924 -26.390 1.00 23.24 H new ATOM 0 HG12 VAL A 97 4.783 -14.999 -24.919 1.00 23.24 H new ATOM 0 HG13 VAL A 97 4.388 -13.833 -26.203 1.00 23.24 H new ATOM 0 HG21 VAL A 97 7.312 -13.019 -26.764 1.00 21.35 H new ATOM 0 HG22 VAL A 97 5.980 -11.851 -26.592 1.00 21.35 H new ATOM 0 HG23 VAL A 97 7.426 -11.710 -25.564 1.00 21.35 H new ATOM 1221 N ASN A 98 4.075 -10.761 -25.227 1.00 34.05 N ATOM 1222 CA ASN A 98 2.921 -10.172 -25.896 1.00 61.40 C ATOM 1223 C ASN A 98 1.722 -10.105 -24.955 1.00 10.14 C ATOM 1224 O ASN A 98 0.581 -10.313 -25.369 1.00 31.32 O ATOM 1225 CB ASN A 98 2.560 -10.982 -27.143 1.00 54.11 C ATOM 1226 CG ASN A 98 3.674 -10.987 -28.171 1.00 45.21 C ATOM 1227 OD1 ASN A 98 4.737 -11.568 -27.950 1.00 34.13 O ATOM 1228 ND2 ASN A 98 3.436 -10.337 -29.305 1.00 20.32 N ATOM 0 H ASN A 98 4.908 -10.172 -25.226 1.00 34.05 H new ATOM 0 HA ASN A 98 3.184 -9.157 -26.194 1.00 61.40 H new ATOM 0 HB2 ASN A 98 2.332 -12.008 -26.853 1.00 54.11 H new ATOM 0 HB3 ASN A 98 1.657 -10.569 -27.592 1.00 54.11 H new ATOM 0 HD21 ASN A 98 4.149 -10.306 -30.034 1.00 20.32 H new ATOM 0 HD22 ASN A 98 2.541 -9.869 -29.446 1.00 20.32 H new ATOM 1235 N LYS A 99 1.988 -9.812 -23.687 1.00 2.01 N ATOM 1236 CA LYS A 99 0.932 -9.715 -22.685 1.00 42.15 C ATOM 1237 C LYS A 99 0.172 -11.032 -22.567 1.00 74.15 C ATOM 1238 O LYS A 99 -1.054 -11.044 -22.447 1.00 14.33 O ATOM 1239 CB LYS A 99 -0.035 -8.584 -23.042 1.00 72.24 C ATOM 1240 CG LYS A 99 0.613 -7.211 -23.058 1.00 71.32 C ATOM 1241 CD LYS A 99 1.035 -6.809 -24.463 1.00 32.32 C ATOM 1242 CE LYS A 99 -0.171 -6.555 -25.354 1.00 74.15 C ATOM 1243 NZ LYS A 99 -0.293 -5.118 -25.725 1.00 44.35 N ATOM 0 H LYS A 99 2.927 -9.637 -23.328 1.00 2.01 H new ATOM 0 HA LYS A 99 1.396 -9.497 -21.723 1.00 42.15 H new ATOM 0 HB2 LYS A 99 -0.468 -8.783 -24.022 1.00 72.24 H new ATOM 0 HB3 LYS A 99 -0.857 -8.580 -22.326 1.00 72.24 H new ATOM 0 HG2 LYS A 99 -0.085 -6.474 -22.662 1.00 71.32 H new ATOM 0 HG3 LYS A 99 1.483 -7.211 -22.402 1.00 71.32 H new ATOM 0 HD2 LYS A 99 1.650 -5.911 -24.416 1.00 32.32 H new ATOM 0 HD3 LYS A 99 1.652 -7.595 -24.898 1.00 32.32 H new ATOM 0 HE2 LYS A 99 -0.088 -7.158 -26.258 1.00 74.15 H new ATOM 0 HE3 LYS A 99 -1.077 -6.875 -24.839 1.00 74.15 H new ATOM 0 HZ1 LYS A 99 -1.127 -4.986 -26.332 1.00 44.35 H new ATOM 0 HZ2 LYS A 99 -0.398 -4.545 -24.864 1.00 44.35 H new ATOM 0 HZ3 LYS A 99 0.560 -4.818 -26.239 1.00 44.35 H new ATOM 1257 N VAL A 100 0.905 -12.139 -22.603 1.00 34.32 N ATOM 1258 CA VAL A 100 0.299 -13.462 -22.498 1.00 2.11 C ATOM 1259 C VAL A 100 1.109 -14.365 -21.574 1.00 62.44 C ATOM 1260 O VAL A 100 2.288 -14.118 -21.325 1.00 5.24 O ATOM 1261 CB VAL A 100 0.176 -14.134 -23.878 1.00 44.32 C ATOM 1262 CG1 VAL A 100 1.394 -15.001 -24.160 1.00 34.34 C ATOM 1263 CG2 VAL A 100 -1.102 -14.953 -23.960 1.00 35.15 C ATOM 0 H VAL A 100 1.920 -12.147 -22.704 1.00 34.32 H new ATOM 0 HA VAL A 100 -0.698 -13.322 -22.081 1.00 2.11 H new ATOM 0 HB VAL A 100 0.130 -13.355 -24.639 1.00 44.32 H new ATOM 0 HG11 VAL A 100 1.289 -15.468 -25.139 1.00 34.34 H new ATOM 0 HG12 VAL A 100 2.292 -14.383 -24.147 1.00 34.34 H new ATOM 0 HG13 VAL A 100 1.475 -15.774 -23.396 1.00 34.34 H new ATOM 0 HG21 VAL A 100 -1.172 -15.421 -24.942 1.00 35.15 H new ATOM 0 HG22 VAL A 100 -1.089 -15.725 -23.191 1.00 35.15 H new ATOM 0 HG23 VAL A 100 -1.962 -14.301 -23.806 1.00 35.15 H new ATOM 1273 N HIS A 101 0.467 -15.415 -21.070 1.00 42.44 N ATOM 1274 CA HIS A 101 1.128 -16.356 -20.174 1.00 64.34 C ATOM 1275 C HIS A 101 1.669 -17.554 -20.949 1.00 73.45 C ATOM 1276 O HIS A 101 0.942 -18.193 -21.711 1.00 64.13 O ATOM 1277 CB HIS A 101 0.158 -16.831 -19.092 1.00 13.30 C ATOM 1278 CG HIS A 101 -1.154 -17.310 -19.633 1.00 14.14 C ATOM 1279 ND1 HIS A 101 -2.272 -16.506 -19.717 1.00 1.24 N ATOM 1280 CD2 HIS A 101 -1.524 -18.518 -20.120 1.00 13.44 C ATOM 1281 CE1 HIS A 101 -3.273 -17.199 -20.230 1.00 71.21 C ATOM 1282 NE2 HIS A 101 -2.845 -18.422 -20.484 1.00 22.52 N ATOM 0 H HIS A 101 -0.509 -15.635 -21.267 1.00 42.44 H new ATOM 0 HA HIS A 101 1.965 -15.842 -19.701 1.00 64.34 H new ATOM 0 HB2 HIS A 101 0.624 -17.637 -18.526 1.00 13.30 H new ATOM 0 HB3 HIS A 101 -0.023 -16.014 -18.393 1.00 13.30 H new ATOM 0 HD2 HIS A 101 -0.898 -19.393 -20.206 1.00 13.44 H new ATOM 0 HE1 HIS A 101 -4.271 -16.828 -20.411 1.00 71.21 H new ATOM 0 HE2 HIS A 101 -3.405 -19.174 -20.886 1.00 22.52 H new ATOM 1290 N VAL A 102 2.948 -17.853 -20.751 1.00 21.22 N ATOM 1291 CA VAL A 102 3.587 -18.974 -21.430 1.00 60.21 C ATOM 1292 C VAL A 102 3.674 -20.193 -20.517 1.00 44.10 C ATOM 1293 O VAL A 102 3.461 -21.324 -20.952 1.00 12.43 O ATOM 1294 CB VAL A 102 5.001 -18.606 -21.914 1.00 24.32 C ATOM 1295 CG1 VAL A 102 5.699 -19.824 -22.501 1.00 1.31 C ATOM 1296 CG2 VAL A 102 4.939 -17.476 -22.929 1.00 45.51 C ATOM 0 H VAL A 102 3.563 -17.334 -20.125 1.00 21.22 H new ATOM 0 HA VAL A 102 2.968 -19.215 -22.294 1.00 60.21 H new ATOM 0 HB VAL A 102 5.581 -18.263 -21.058 1.00 24.32 H new ATOM 0 HG11 VAL A 102 6.697 -19.544 -22.838 1.00 1.31 H new ATOM 0 HG12 VAL A 102 5.777 -20.601 -21.740 1.00 1.31 H new ATOM 0 HG13 VAL A 102 5.123 -20.201 -23.346 1.00 1.31 H new ATOM 0 HG21 VAL A 102 5.948 -17.229 -23.260 1.00 45.51 H new ATOM 0 HG22 VAL A 102 4.342 -17.789 -23.786 1.00 45.51 H new ATOM 0 HG23 VAL A 102 4.483 -16.599 -22.470 1.00 45.51 H new ATOM 1306 N GLY A 103 3.990 -19.953 -19.248 1.00 24.13 N ATOM 1307 CA GLY A 103 4.100 -21.040 -18.293 1.00 25.02 C ATOM 1308 C GLY A 103 5.502 -21.179 -17.732 1.00 54.33 C ATOM 1309 O GLY A 103 5.841 -20.555 -16.728 1.00 12.20 O ATOM 0 H GLY A 103 4.172 -19.025 -18.865 1.00 24.13 H new ATOM 0 HA2 GLY A 103 3.399 -20.873 -17.475 1.00 25.02 H new ATOM 0 HA3 GLY A 103 3.811 -21.974 -18.775 1.00 25.02 H new ATOM 1313 N GLY A 104 6.319 -22.002 -18.381 1.00 61.22 N ATOM 1314 CA GLY A 104 7.681 -22.209 -17.926 1.00 1.43 C ATOM 1315 C GLY A 104 7.857 -23.530 -17.204 1.00 44.13 C ATOM 1316 O GLY A 104 6.883 -24.134 -16.755 1.00 30.24 O ATOM 0 H GLY A 104 6.062 -22.530 -19.215 1.00 61.22 H new ATOM 0 HA2 GLY A 104 8.356 -22.173 -18.781 1.00 1.43 H new ATOM 0 HA3 GLY A 104 7.966 -21.394 -17.261 1.00 1.43 H new ATOM 1320 N CYS A 105 9.102 -23.980 -17.094 1.00 64.45 N ATOM 1321 CA CYS A 105 9.403 -25.241 -16.424 1.00 41.50 C ATOM 1322 C CYS A 105 8.829 -26.420 -17.201 1.00 73.32 C ATOM 1323 O CYS A 105 8.798 -27.547 -16.706 1.00 41.21 O ATOM 1324 CB CYS A 105 8.844 -25.231 -15.001 1.00 62.10 C ATOM 1325 SG CYS A 105 9.575 -26.476 -13.912 1.00 63.01 S ATOM 0 H CYS A 105 9.919 -23.491 -17.460 1.00 64.45 H new ATOM 0 HA CYS A 105 10.486 -25.352 -16.380 1.00 41.50 H new ATOM 0 HB2 CYS A 105 9.004 -24.244 -14.566 1.00 62.10 H new ATOM 0 HB3 CYS A 105 7.766 -25.389 -15.044 1.00 62.10 H new ATOM 0 HG CYS A 105 9.671 -27.606 -14.548 1.00 63.01 H new ATOM 1331 N ASP A 106 8.373 -26.153 -18.420 1.00 73.41 N ATOM 1332 CA ASP A 106 7.799 -27.192 -19.267 1.00 34.20 C ATOM 1333 C ASP A 106 7.224 -26.594 -20.547 1.00 21.50 C ATOM 1334 O ASP A 106 7.420 -27.131 -21.638 1.00 21.13 O ATOM 1335 CB ASP A 106 6.708 -27.952 -18.510 1.00 11.53 C ATOM 1336 CG ASP A 106 7.073 -29.404 -18.273 1.00 33.10 C ATOM 1337 OD1 ASP A 106 8.278 -29.699 -18.137 1.00 34.02 O ATOM 1338 OD2 ASP A 106 6.152 -30.247 -18.223 1.00 51.41 O ATOM 0 H ASP A 106 8.390 -25.225 -18.844 1.00 73.41 H new ATOM 0 HA ASP A 106 8.595 -27.886 -19.537 1.00 34.20 H new ATOM 0 HB2 ASP A 106 6.528 -27.465 -17.552 1.00 11.53 H new ATOM 0 HB3 ASP A 106 5.776 -27.902 -19.074 1.00 11.53 H new ATOM 1343 N ARG A 107 6.512 -25.481 -20.406 1.00 74.21 N ATOM 1344 CA ARG A 107 5.906 -24.812 -21.551 1.00 44.34 C ATOM 1345 C ARG A 107 6.948 -24.009 -22.326 1.00 62.53 C ATOM 1346 O ARG A 107 7.174 -24.247 -23.513 1.00 63.23 O ATOM 1347 CB ARG A 107 4.777 -23.889 -21.091 1.00 35.53 C ATOM 1348 CG ARG A 107 3.486 -24.069 -21.874 1.00 43.22 C ATOM 1349 CD ARG A 107 3.673 -23.722 -23.343 1.00 44.52 C ATOM 1350 NE ARG A 107 2.441 -23.891 -24.108 1.00 24.20 N ATOM 1351 CZ ARG A 107 1.957 -25.074 -24.468 1.00 64.31 C ATOM 1352 NH1 ARG A 107 2.599 -26.186 -24.136 1.00 63.05 N ATOM 1353 NH2 ARG A 107 0.829 -25.148 -25.163 1.00 72.01 N ATOM 0 H ARG A 107 6.341 -25.024 -19.511 1.00 74.21 H new ATOM 0 HA ARG A 107 5.496 -25.577 -22.211 1.00 44.34 H new ATOM 0 HB2 ARG A 107 4.579 -24.069 -20.034 1.00 35.53 H new ATOM 0 HB3 ARG A 107 5.106 -22.854 -21.182 1.00 35.53 H new ATOM 0 HG2 ARG A 107 3.145 -25.100 -21.783 1.00 43.22 H new ATOM 0 HG3 ARG A 107 2.708 -23.437 -21.446 1.00 43.22 H new ATOM 0 HD2 ARG A 107 4.015 -22.691 -23.431 1.00 44.52 H new ATOM 0 HD3 ARG A 107 4.453 -24.354 -23.768 1.00 44.52 H new ATOM 0 HE ARG A 107 1.924 -23.055 -24.381 1.00 24.20 H new ATOM 0 HH11 ARG A 107 3.467 -26.134 -23.603 1.00 63.05 H new ATOM 0 HH12 ARG A 107 2.225 -27.093 -24.414 1.00 63.05 H new ATOM 0 HH21 ARG A 107 0.332 -24.295 -25.422 1.00 72.01 H new ATOM 0 HH22 ARG A 107 0.459 -26.057 -25.439 1.00 72.01 H new ATOM 1367 N THR A 108 7.580 -23.058 -21.646 1.00 24.11 N ATOM 1368 CA THR A 108 8.597 -22.220 -22.269 1.00 72.53 C ATOM 1369 C THR A 108 9.771 -23.056 -22.766 1.00 32.54 C ATOM 1370 O THR A 108 10.521 -22.632 -23.645 1.00 15.31 O ATOM 1371 CB THR A 108 9.120 -21.150 -21.292 1.00 40.12 C ATOM 1372 OG1 THR A 108 8.055 -20.270 -20.914 1.00 62.20 O ATOM 1373 CG2 THR A 108 10.249 -20.348 -21.922 1.00 52.35 C ATOM 0 H THR A 108 7.405 -22.849 -20.663 1.00 24.11 H new ATOM 0 HA THR A 108 8.122 -21.726 -23.117 1.00 72.53 H new ATOM 0 HB THR A 108 9.505 -21.655 -20.406 1.00 40.12 H new ATOM 0 HG1 THR A 108 7.404 -20.759 -20.369 1.00 62.20 H new ATOM 0 HG21 THR A 108 10.602 -19.599 -21.214 1.00 52.35 H new ATOM 0 HG22 THR A 108 11.069 -21.017 -22.182 1.00 52.35 H new ATOM 0 HG23 THR A 108 9.885 -19.853 -22.822 1.00 52.35 H new ATOM 1381 N PHE A 109 9.925 -24.247 -22.197 1.00 35.11 N ATOM 1382 CA PHE A 109 11.009 -25.143 -22.581 1.00 72.42 C ATOM 1383 C PHE A 109 10.611 -25.995 -23.784 1.00 15.12 C ATOM 1384 O PHE A 109 11.308 -26.020 -24.796 1.00 71.43 O ATOM 1385 CB PHE A 109 11.393 -26.047 -21.408 1.00 22.14 C ATOM 1386 CG PHE A 109 12.188 -25.344 -20.345 1.00 23.21 C ATOM 1387 CD1 PHE A 109 11.610 -24.350 -19.572 1.00 62.41 C ATOM 1388 CD2 PHE A 109 13.514 -25.678 -20.119 1.00 42.23 C ATOM 1389 CE1 PHE A 109 12.339 -23.702 -18.593 1.00 50.52 C ATOM 1390 CE2 PHE A 109 14.248 -25.033 -19.142 1.00 14.24 C ATOM 1391 CZ PHE A 109 13.660 -24.043 -18.378 1.00 72.15 C ATOM 0 H PHE A 109 9.313 -24.614 -21.468 1.00 35.11 H new ATOM 0 HA PHE A 109 11.869 -24.533 -22.858 1.00 72.42 H new ATOM 0 HB2 PHE A 109 10.486 -26.455 -20.962 1.00 22.14 H new ATOM 0 HB3 PHE A 109 11.971 -26.891 -21.784 1.00 22.14 H new ATOM 0 HD1 PHE A 109 10.578 -24.078 -19.736 1.00 62.41 H new ATOM 0 HD2 PHE A 109 13.979 -26.451 -20.713 1.00 42.23 H new ATOM 0 HE1 PHE A 109 11.876 -22.930 -17.997 1.00 50.52 H new ATOM 0 HE2 PHE A 109 15.281 -25.302 -18.976 1.00 14.24 H new ATOM 0 HZ PHE A 109 14.232 -23.537 -17.614 1.00 72.15 H new ATOM 1401 N GLN A 110 9.483 -26.689 -23.662 1.00 22.41 N ATOM 1402 CA GLN A 110 8.993 -27.542 -24.738 1.00 34.12 C ATOM 1403 C GLN A 110 8.585 -26.710 -25.949 1.00 45.21 C ATOM 1404 O GLN A 110 9.011 -26.980 -27.072 1.00 22.43 O ATOM 1405 CB GLN A 110 7.805 -28.376 -24.255 1.00 15.11 C ATOM 1406 CG GLN A 110 8.178 -29.425 -23.220 1.00 22.10 C ATOM 1407 CD GLN A 110 7.002 -29.840 -22.359 1.00 24.22 C ATOM 1408 OE1 GLN A 110 7.111 -29.916 -21.134 1.00 52.34 O ATOM 1409 NE2 GLN A 110 5.869 -30.113 -22.994 1.00 4.31 N ATOM 0 H GLN A 110 8.893 -26.677 -22.830 1.00 22.41 H new ATOM 0 HA GLN A 110 9.801 -28.210 -25.034 1.00 34.12 H new ATOM 0 HB2 GLN A 110 7.053 -27.710 -23.831 1.00 15.11 H new ATOM 0 HB3 GLN A 110 7.346 -28.870 -25.112 1.00 15.11 H new ATOM 0 HG2 GLN A 110 8.580 -30.303 -23.726 1.00 22.10 H new ATOM 0 HG3 GLN A 110 8.971 -29.034 -22.582 1.00 22.10 H new ATOM 0 HE21 GLN A 110 5.823 -30.037 -24.010 1.00 4.31 H new ATOM 0 HE22 GLN A 110 5.044 -30.399 -22.466 1.00 4.31 H new ATOM 1418 N ALA A 111 7.759 -25.697 -25.714 1.00 13.40 N ATOM 1419 CA ALA A 111 7.296 -24.824 -26.786 1.00 71.42 C ATOM 1420 C ALA A 111 8.454 -24.383 -27.675 1.00 74.51 C ATOM 1421 O ALA A 111 8.276 -24.137 -28.868 1.00 55.31 O ATOM 1422 CB ALA A 111 6.581 -23.612 -26.208 1.00 72.04 C ATOM 0 H ALA A 111 7.396 -25.460 -24.791 1.00 13.40 H new ATOM 0 HA ALA A 111 6.594 -25.387 -27.401 1.00 71.42 H new ATOM 0 HB1 ALA A 111 6.241 -22.969 -27.020 1.00 72.04 H new ATOM 0 HB2 ALA A 111 5.723 -23.941 -25.622 1.00 72.04 H new ATOM 0 HB3 ALA A 111 7.266 -23.056 -25.568 1.00 72.04 H new ATOM 1428 N HIS A 112 9.642 -24.285 -27.085 1.00 53.22 N ATOM 1429 CA HIS A 112 10.830 -23.874 -27.824 1.00 52.52 C ATOM 1430 C HIS A 112 11.252 -24.951 -28.818 1.00 31.33 C ATOM 1431 O HIS A 112 11.518 -24.663 -29.985 1.00 11.54 O ATOM 1432 CB HIS A 112 11.978 -23.575 -26.859 1.00 42.15 C ATOM 1433 CG HIS A 112 13.291 -23.347 -27.543 1.00 41.34 C ATOM 1434 ND1 HIS A 112 13.415 -22.630 -28.715 1.00 22.22 N ATOM 1435 CD2 HIS A 112 14.542 -23.744 -27.213 1.00 63.32 C ATOM 1436 CE1 HIS A 112 14.685 -22.598 -29.076 1.00 24.53 C ATOM 1437 NE2 HIS A 112 15.390 -23.267 -28.181 1.00 11.22 N ATOM 0 H HIS A 112 9.807 -24.485 -26.098 1.00 53.22 H new ATOM 0 HA HIS A 112 10.587 -22.968 -28.380 1.00 52.52 H new ATOM 0 HB2 HIS A 112 11.726 -22.693 -26.270 1.00 42.15 H new ATOM 0 HB3 HIS A 112 12.081 -24.406 -26.161 1.00 42.15 H new ATOM 0 HD2 HIS A 112 14.821 -24.328 -26.348 1.00 63.32 H new ATOM 0 HE1 HIS A 112 15.080 -22.108 -29.954 1.00 24.53 H new ATOM 0 HE2 HIS A 112 16.400 -23.406 -28.205 1.00 11.22 H new ATOM 1445 N GLN A 113 11.313 -26.193 -28.347 1.00 53.34 N ATOM 1446 CA GLN A 113 11.704 -27.312 -29.195 1.00 25.21 C ATOM 1447 C GLN A 113 10.533 -27.783 -30.051 1.00 52.31 C ATOM 1448 O GLN A 113 10.722 -28.458 -31.061 1.00 60.52 O ATOM 1449 CB GLN A 113 12.224 -28.470 -28.339 1.00 54.03 C ATOM 1450 CG GLN A 113 13.386 -28.086 -27.439 1.00 24.22 C ATOM 1451 CD GLN A 113 13.095 -28.336 -25.972 1.00 1.30 C ATOM 1452 OE1 GLN A 113 13.401 -27.505 -25.117 1.00 14.53 O ATOM 1453 NE2 GLN A 113 12.501 -29.485 -25.673 1.00 44.24 N ATOM 0 H GLN A 113 11.097 -26.449 -27.384 1.00 53.34 H new ATOM 0 HA GLN A 113 12.500 -26.972 -29.857 1.00 25.21 H new ATOM 0 HB2 GLN A 113 11.409 -28.851 -27.724 1.00 54.03 H new ATOM 0 HB3 GLN A 113 12.536 -29.284 -28.994 1.00 54.03 H new ATOM 0 HG2 GLN A 113 14.270 -28.652 -27.732 1.00 24.22 H new ATOM 0 HG3 GLN A 113 13.620 -27.031 -27.585 1.00 24.22 H new ATOM 0 HE21 GLN A 113 12.265 -30.145 -26.414 1.00 44.24 H new ATOM 0 HE22 GLN A 113 12.281 -29.708 -24.702 1.00 44.24 H new ATOM 1462 N ASN A 114 9.322 -27.421 -29.638 1.00 73.21 N ATOM 1463 CA ASN A 114 8.120 -27.807 -30.367 1.00 72.30 C ATOM 1464 C ASN A 114 7.710 -26.721 -31.356 1.00 50.25 C ATOM 1465 O ASN A 114 6.913 -26.960 -32.263 1.00 3.23 O ATOM 1466 CB ASN A 114 6.973 -28.082 -29.392 1.00 33.50 C ATOM 1467 CG ASN A 114 6.935 -29.529 -28.939 1.00 14.25 C ATOM 1468 OD1 ASN A 114 6.432 -30.401 -29.648 1.00 11.13 O ATOM 1469 ND2 ASN A 114 7.468 -29.790 -27.750 1.00 62.42 N ATOM 0 H ASN A 114 9.148 -26.861 -28.803 1.00 73.21 H new ATOM 0 HA ASN A 114 8.341 -28.717 -30.925 1.00 72.30 H new ATOM 0 HB2 ASN A 114 7.076 -27.434 -28.522 1.00 33.50 H new ATOM 0 HB3 ASN A 114 6.026 -27.828 -29.868 1.00 33.50 H new ATOM 0 HD21 ASN A 114 7.471 -30.745 -27.391 1.00 62.42 H new ATOM 0 HD22 ASN A 114 7.874 -29.036 -27.196 1.00 62.42 H new ATOM 1476 N GLY A 115 8.262 -25.525 -31.176 1.00 12.13 N ATOM 1477 CA GLY A 115 7.944 -24.418 -32.059 1.00 73.12 C ATOM 1478 C GLY A 115 6.773 -23.595 -31.558 1.00 65.03 C ATOM 1479 O GLY A 115 6.492 -22.518 -32.085 1.00 60.23 O ATOM 0 H GLY A 115 8.925 -25.303 -30.433 1.00 12.13 H new ATOM 0 HA2 GLY A 115 8.819 -23.776 -32.161 1.00 73.12 H new ATOM 0 HA3 GLY A 115 7.715 -24.804 -33.052 1.00 73.12 H new ATOM 1483 N LEU A 116 6.088 -24.103 -30.540 1.00 40.41 N ATOM 1484 CA LEU A 116 4.939 -23.407 -29.968 1.00 45.44 C ATOM 1485 C LEU A 116 5.361 -22.079 -29.347 1.00 21.14 C ATOM 1486 O LEU A 116 4.534 -21.195 -29.124 1.00 34.44 O ATOM 1487 CB LEU A 116 4.260 -24.284 -28.916 1.00 14.34 C ATOM 1488 CG LEU A 116 2.731 -24.270 -28.916 1.00 51.04 C ATOM 1489 CD1 LEU A 116 2.209 -22.855 -28.726 1.00 10.35 C ATOM 1490 CD2 LEU A 116 2.193 -24.869 -30.207 1.00 64.45 C ATOM 0 H LEU A 116 6.307 -24.993 -30.093 1.00 40.41 H new ATOM 0 HA LEU A 116 4.232 -23.202 -30.771 1.00 45.44 H new ATOM 0 HB2 LEU A 116 4.594 -25.312 -29.058 1.00 14.34 H new ATOM 0 HB3 LEU A 116 4.606 -23.970 -27.931 1.00 14.34 H new ATOM 0 HG LEU A 116 2.382 -24.879 -28.082 1.00 51.04 H new ATOM 0 HD11 LEU A 116 1.119 -22.866 -28.729 1.00 10.35 H new ATOM 0 HD12 LEU A 116 2.566 -22.460 -27.775 1.00 10.35 H new ATOM 0 HD13 LEU A 116 2.568 -22.223 -29.538 1.00 10.35 H new ATOM 0 HD21 LEU A 116 1.103 -24.851 -30.190 1.00 64.45 H new ATOM 0 HD22 LEU A 116 2.552 -24.287 -31.056 1.00 64.45 H new ATOM 0 HD23 LEU A 116 2.537 -25.899 -30.302 1.00 64.45 H new ATOM 1502 N LEU A 117 6.654 -21.946 -29.071 1.00 1.14 N ATOM 1503 CA LEU A 117 7.187 -20.724 -28.476 1.00 71.31 C ATOM 1504 C LEU A 117 7.539 -19.703 -29.554 1.00 43.11 C ATOM 1505 O LEU A 117 7.094 -18.557 -29.504 1.00 4.42 O ATOM 1506 CB LEU A 117 8.423 -21.041 -27.634 1.00 62.25 C ATOM 1507 CG LEU A 117 8.694 -20.100 -26.459 1.00 64.32 C ATOM 1508 CD1 LEU A 117 7.559 -20.164 -25.451 1.00 54.00 C ATOM 1509 CD2 LEU A 117 10.020 -20.445 -25.795 1.00 11.22 C ATOM 0 H LEU A 117 7.352 -22.668 -29.249 1.00 1.14 H new ATOM 0 HA LEU A 117 6.418 -20.296 -27.833 1.00 71.31 H new ATOM 0 HB2 LEU A 117 8.324 -22.055 -27.246 1.00 62.25 H new ATOM 0 HB3 LEU A 117 9.295 -21.034 -28.288 1.00 62.25 H new ATOM 0 HG LEU A 117 8.755 -19.081 -26.841 1.00 64.32 H new ATOM 0 HD11 LEU A 117 7.770 -19.488 -24.622 1.00 54.00 H new ATOM 0 HD12 LEU A 117 6.627 -19.868 -25.933 1.00 54.00 H new ATOM 0 HD13 LEU A 117 7.465 -21.182 -25.074 1.00 54.00 H new ATOM 0 HD21 LEU A 117 10.197 -19.766 -24.961 1.00 11.22 H new ATOM 0 HD22 LEU A 117 9.987 -21.470 -25.427 1.00 11.22 H new ATOM 0 HD23 LEU A 117 10.827 -20.346 -26.521 1.00 11.22 H new ATOM 1521 N GLN A 118 8.338 -20.129 -30.527 1.00 31.42 N ATOM 1522 CA GLN A 118 8.747 -19.251 -31.616 1.00 64.44 C ATOM 1523 C GLN A 118 7.533 -18.679 -32.342 1.00 23.44 C ATOM 1524 O GLN A 118 7.550 -17.537 -32.797 1.00 43.52 O ATOM 1525 CB GLN A 118 9.636 -20.010 -32.604 1.00 73.51 C ATOM 1526 CG GLN A 118 8.862 -20.937 -33.530 1.00 51.40 C ATOM 1527 CD GLN A 118 9.748 -21.599 -34.566 1.00 42.54 C ATOM 1528 OE1 GLN A 118 9.816 -22.825 -34.650 1.00 62.44 O ATOM 1529 NE2 GLN A 118 10.434 -20.788 -35.365 1.00 33.14 N ATOM 0 H GLN A 118 8.714 -21.075 -30.583 1.00 31.42 H new ATOM 0 HA GLN A 118 9.313 -18.424 -31.188 1.00 64.44 H new ATOM 0 HB2 GLN A 118 10.193 -19.291 -33.205 1.00 73.51 H new ATOM 0 HB3 GLN A 118 10.368 -20.595 -32.047 1.00 73.51 H new ATOM 0 HG2 GLN A 118 8.366 -21.705 -32.937 1.00 51.40 H new ATOM 0 HG3 GLN A 118 8.080 -20.370 -34.035 1.00 51.40 H new ATOM 0 HE21 GLN A 118 10.348 -19.777 -35.261 1.00 33.14 H new ATOM 0 HE22 GLN A 118 11.046 -21.177 -36.082 1.00 33.14 H new ATOM 1538 N LYS A 119 6.481 -19.483 -32.445 1.00 53.12 N ATOM 1539 CA LYS A 119 5.256 -19.058 -33.114 1.00 63.14 C ATOM 1540 C LYS A 119 4.456 -18.108 -32.229 1.00 54.14 C ATOM 1541 O LYS A 119 3.634 -17.332 -32.720 1.00 1.22 O ATOM 1542 CB LYS A 119 4.402 -20.274 -33.480 1.00 3.01 C ATOM 1543 CG LYS A 119 3.994 -21.114 -32.281 1.00 52.51 C ATOM 1544 CD LYS A 119 2.711 -20.600 -31.652 1.00 2.34 C ATOM 1545 CE LYS A 119 1.549 -21.548 -31.901 1.00 31.24 C ATOM 1546 NZ LYS A 119 0.489 -21.411 -30.863 1.00 70.44 N ATOM 0 H LYS A 119 6.451 -20.433 -32.074 1.00 53.12 H new ATOM 0 HA LYS A 119 5.533 -18.530 -34.026 1.00 63.14 H new ATOM 0 HB2 LYS A 119 3.505 -19.935 -33.998 1.00 3.01 H new ATOM 0 HB3 LYS A 119 4.956 -20.900 -34.180 1.00 3.01 H new ATOM 0 HG2 LYS A 119 3.859 -22.150 -32.591 1.00 52.51 H new ATOM 0 HG3 LYS A 119 4.793 -21.104 -31.540 1.00 52.51 H new ATOM 0 HD2 LYS A 119 2.856 -20.474 -30.579 1.00 2.34 H new ATOM 0 HD3 LYS A 119 2.474 -19.617 -32.059 1.00 2.34 H new ATOM 0 HE2 LYS A 119 1.122 -21.349 -32.884 1.00 31.24 H new ATOM 0 HE3 LYS A 119 1.914 -22.575 -31.914 1.00 31.24 H new ATOM 0 HZ1 LYS A 119 0.135 -22.353 -30.602 1.00 70.44 H new ATOM 0 HZ2 LYS A 119 0.885 -20.945 -30.022 1.00 70.44 H new ATOM 0 HZ3 LYS A 119 -0.294 -20.839 -31.239 1.00 70.44 H new ATOM 1560 N LEU A 120 4.699 -18.173 -30.925 1.00 62.12 N ATOM 1561 CA LEU A 120 4.002 -17.318 -29.972 1.00 61.02 C ATOM 1562 C LEU A 120 4.660 -15.945 -29.891 1.00 2.51 C ATOM 1563 O LEU A 120 3.980 -14.917 -29.874 1.00 73.35 O ATOM 1564 CB LEU A 120 3.984 -17.971 -28.589 1.00 50.44 C ATOM 1565 CG LEU A 120 3.148 -17.260 -27.523 1.00 34.22 C ATOM 1566 CD1 LEU A 120 1.810 -17.958 -27.342 1.00 32.53 C ATOM 1567 CD2 LEU A 120 3.905 -17.202 -26.204 1.00 73.32 C ATOM 0 H LEU A 120 5.375 -18.810 -30.503 1.00 62.12 H new ATOM 0 HA LEU A 120 2.977 -17.189 -30.319 1.00 61.02 H new ATOM 0 HB2 LEU A 120 3.611 -18.990 -28.695 1.00 50.44 H new ATOM 0 HB3 LEU A 120 5.010 -18.043 -28.229 1.00 50.44 H new ATOM 0 HG LEU A 120 2.960 -16.239 -27.856 1.00 34.22 H new ATOM 0 HD11 LEU A 120 1.229 -17.439 -26.580 1.00 32.53 H new ATOM 0 HD12 LEU A 120 1.264 -17.947 -28.285 1.00 32.53 H new ATOM 0 HD13 LEU A 120 1.977 -18.989 -27.031 1.00 32.53 H new ATOM 0 HD21 LEU A 120 3.296 -16.693 -25.457 1.00 73.32 H new ATOM 0 HD22 LEU A 120 4.124 -18.215 -25.865 1.00 73.32 H new ATOM 0 HD23 LEU A 120 4.838 -16.657 -26.344 1.00 73.32 H new ATOM 1579 N LEU A 121 5.987 -15.932 -29.842 1.00 23.15 N ATOM 1580 CA LEU A 121 6.739 -14.684 -29.763 1.00 70.41 C ATOM 1581 C LEU A 121 6.498 -13.826 -31.001 1.00 43.30 C ATOM 1582 O LEU A 121 6.647 -12.605 -30.958 1.00 53.53 O ATOM 1583 CB LEU A 121 8.233 -14.975 -29.613 1.00 4.42 C ATOM 1584 CG LEU A 121 8.628 -15.873 -28.441 1.00 14.25 C ATOM 1585 CD1 LEU A 121 10.121 -15.771 -28.169 1.00 34.41 C ATOM 1586 CD2 LEU A 121 7.831 -15.508 -27.197 1.00 23.33 C ATOM 0 H LEU A 121 6.565 -16.772 -29.856 1.00 23.15 H new ATOM 0 HA LEU A 121 6.393 -14.133 -28.888 1.00 70.41 H new ATOM 0 HB2 LEU A 121 8.587 -15.438 -30.534 1.00 4.42 H new ATOM 0 HB3 LEU A 121 8.759 -14.026 -29.511 1.00 4.42 H new ATOM 0 HG LEU A 121 8.398 -16.905 -28.706 1.00 14.25 H new ATOM 0 HD11 LEU A 121 10.383 -16.417 -27.331 1.00 34.41 H new ATOM 0 HD12 LEU A 121 10.674 -16.083 -29.055 1.00 34.41 H new ATOM 0 HD13 LEU A 121 10.377 -14.740 -27.926 1.00 34.41 H new ATOM 0 HD21 LEU A 121 8.125 -16.158 -26.373 1.00 23.33 H new ATOM 0 HD22 LEU A 121 8.029 -14.470 -26.930 1.00 23.33 H new ATOM 0 HD23 LEU A 121 6.767 -15.635 -27.396 1.00 23.33 H new