USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 838 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 31 GLN : amide:sc= -0.882! C(o=-0.87!,f=-2.1!) USER MOD Set 1.2: A 32 THR OG1 : rot 140:sc= 0.00696 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0864 (180deg=0) USER MOD Single : A 5 SER OG : rot 141:sc= 1.18 USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= 0.319 (180deg=-0.00401) USER MOD Single : A 13 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.42) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 34 SER OG : rot 63:sc= 0.733 USER MOD Single : A 35 THR OG1 : rot -170:sc= 0.062 USER MOD Single : A 41 SER OG : rot 77:sc= 1.28 USER MOD Single : A 45 LYS NZ :NH3+ -116:sc= 1.26 (180deg=0.156) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.181 USER MOD Single : A 57 GLN : amide:sc= -0.0545 X(o=-0.054,f=-0.23) USER MOD Single : A 59 GLN : amide:sc= -1.09! K(o=-1.1!,f=-0.14) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.166 USER MOD Single : A 65 ASN : amide:sc= 2.11 K(o=2.1,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.2) USER MOD Single : A 70 THR OG1 : rot -97:sc= 1.18 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.834 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= 0.978 (180deg=0.0232) USER MOD Single : A 80 TYR OH : rot -18:sc= 0.891 USER MOD Single : A 83 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.5) USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.25) USER MOD Single : A 89 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.3!) USER MOD Single : A 93 THR OG1 : rot 170:sc= 0.322 USER MOD Single : A 95 SER OG : rot 86:sc= 1.16 USER MOD Single : A 98 SER OG : rot -49:sc= 0.673 USER MOD Single : A 102 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.18) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 107 THR OG1 : rot -71:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.357 0.449 2.987 1.00 8.29 N ATOM 2 CA GLY A 1 28.159 0.826 2.199 1.00 7.86 C ATOM 3 C GLY A 1 27.605 -0.343 1.414 1.00 7.10 C ATOM 4 O GLY A 1 28.261 -1.378 1.299 1.00 7.08 O ATOM 0 H1 GLY A 1 29.140 0.517 4.002 1.00 8.29 H new ATOM 0 H2 GLY A 1 29.631 -0.527 2.756 1.00 8.29 H new ATOM 0 H3 GLY A 1 30.141 1.092 2.756 1.00 8.29 H new ATOM 0 HA2 GLY A 1 27.390 1.209 2.870 1.00 7.86 H new ATOM 0 HA3 GLY A 1 28.416 1.634 1.514 1.00 7.86 H new ATOM 10 N PRO A 2 26.376 -0.224 0.893 1.00 6.73 N ATOM 11 CA PRO A 2 25.722 -1.296 0.147 1.00 6.29 C ATOM 12 C PRO A 2 26.051 -1.260 -1.344 1.00 5.85 C ATOM 13 O PRO A 2 26.716 -0.340 -1.820 1.00 6.07 O ATOM 14 CB PRO A 2 24.246 -0.983 0.366 1.00 6.38 C ATOM 15 CG PRO A 2 24.185 0.505 0.447 1.00 6.76 C ATOM 16 CD PRO A 2 25.500 0.957 1.035 1.00 7.06 C ATOM 0 HA PRO A 2 26.036 -2.286 0.478 1.00 6.29 H new ATOM 0 HB2 PRO A 2 23.635 -1.361 -0.454 1.00 6.38 H new ATOM 0 HB3 PRO A 2 23.874 -1.445 1.280 1.00 6.38 H new ATOM 0 HG2 PRO A 2 24.031 0.941 -0.540 1.00 6.76 H new ATOM 0 HG3 PRO A 2 23.351 0.826 1.071 1.00 6.76 H new ATOM 0 HD2 PRO A 2 25.901 1.819 0.502 1.00 7.06 H new ATOM 0 HD3 PRO A 2 25.391 1.251 2.079 1.00 7.06 H new ATOM 24 N LEU A 3 25.476 -2.191 -2.096 1.00 5.64 N ATOM 25 CA LEU A 3 25.602 -2.173 -3.549 1.00 5.68 C ATOM 26 C LEU A 3 24.514 -1.286 -4.143 1.00 5.29 C ATOM 27 O LEU A 3 23.560 -1.771 -4.755 1.00 5.56 O ATOM 28 CB LEU A 3 25.512 -3.589 -4.138 1.00 6.31 C ATOM 29 CG LEU A 3 24.722 -4.604 -3.313 1.00 6.71 C ATOM 30 CD1 LEU A 3 23.410 -4.949 -3.998 1.00 7.00 C ATOM 31 CD2 LEU A 3 25.547 -5.859 -3.084 1.00 7.22 C ATOM 0 H LEU A 3 24.921 -2.963 -1.727 1.00 5.64 H new ATOM 0 HA LEU A 3 26.583 -1.771 -3.804 1.00 5.68 H new ATOM 0 HB2 LEU A 3 25.059 -3.522 -5.127 1.00 6.31 H new ATOM 0 HB3 LEU A 3 26.524 -3.970 -4.275 1.00 6.31 H new ATOM 0 HG LEU A 3 24.495 -4.156 -2.345 1.00 6.71 H new ATOM 0 HD11 LEU A 3 22.863 -5.673 -3.394 1.00 7.00 H new ATOM 0 HD12 LEU A 3 22.811 -4.046 -4.112 1.00 7.00 H new ATOM 0 HD13 LEU A 3 23.614 -5.376 -4.980 1.00 7.00 H new ATOM 0 HD21 LEU A 3 24.970 -6.571 -2.495 1.00 7.22 H new ATOM 0 HD22 LEU A 3 25.804 -6.306 -4.044 1.00 7.22 H new ATOM 0 HD23 LEU A 3 26.461 -5.601 -2.548 1.00 7.22 H new ATOM 43 N GLY A 4 24.596 0.002 -3.843 1.00 4.99 N ATOM 44 CA GLY A 4 23.558 0.925 -4.247 1.00 4.95 C ATOM 45 C GLY A 4 22.474 1.037 -3.197 1.00 4.12 C ATOM 46 O GLY A 4 22.436 2.003 -2.433 1.00 4.21 O ATOM 0 H GLY A 4 25.366 0.425 -3.325 1.00 4.99 H new ATOM 0 HA2 GLY A 4 23.994 1.908 -4.427 1.00 4.95 H new ATOM 0 HA3 GLY A 4 23.121 0.593 -5.188 1.00 4.95 H new ATOM 50 N SER A 5 21.634 0.016 -3.106 1.00 3.64 N ATOM 51 CA SER A 5 20.569 -0.005 -2.117 1.00 3.04 C ATOM 52 C SER A 5 20.521 -1.347 -1.387 1.00 2.18 C ATOM 53 O SER A 5 20.995 -2.363 -1.900 1.00 2.49 O ATOM 54 CB SER A 5 19.228 0.281 -2.794 1.00 3.40 C ATOM 55 OG SER A 5 19.381 0.415 -4.201 1.00 4.18 O ATOM 0 H SER A 5 21.670 -0.808 -3.706 1.00 3.64 H new ATOM 0 HA SER A 5 20.770 0.770 -1.377 1.00 3.04 H new ATOM 0 HB2 SER A 5 18.528 -0.526 -2.577 1.00 3.40 H new ATOM 0 HB3 SER A 5 18.798 1.195 -2.384 1.00 3.40 H new ATOM 0 HG SER A 5 18.625 -0.013 -4.655 1.00 4.18 H new ATOM 61 N VAL A 6 19.932 -1.342 -0.198 1.00 1.77 N ATOM 62 CA VAL A 6 19.783 -2.550 0.605 1.00 1.55 C ATOM 63 C VAL A 6 18.304 -2.838 0.839 1.00 1.64 C ATOM 64 O VAL A 6 17.444 -2.236 0.192 1.00 2.57 O ATOM 65 CB VAL A 6 20.494 -2.423 1.973 1.00 2.21 C ATOM 66 CG1 VAL A 6 21.888 -3.026 1.913 1.00 2.77 C ATOM 67 CG2 VAL A 6 20.550 -0.970 2.426 1.00 2.87 C ATOM 0 H VAL A 6 19.545 -0.504 0.236 1.00 1.77 H new ATOM 0 HA VAL A 6 20.246 -3.368 0.053 1.00 1.55 H new ATOM 0 HB VAL A 6 19.914 -2.981 2.708 1.00 2.21 H new ATOM 0 HG11 VAL A 6 22.370 -2.926 2.886 1.00 2.77 H new ATOM 0 HG12 VAL A 6 21.817 -4.081 1.650 1.00 2.77 H new ATOM 0 HG13 VAL A 6 22.478 -2.504 1.160 1.00 2.77 H new ATOM 0 HG21 VAL A 6 21.055 -0.909 3.390 1.00 2.87 H new ATOM 0 HG22 VAL A 6 21.098 -0.381 1.691 1.00 2.87 H new ATOM 0 HG23 VAL A 6 19.537 -0.579 2.521 1.00 2.87 H new ATOM 77 N LYS A 7 18.008 -3.740 1.767 1.00 1.09 N ATOM 78 CA LYS A 7 16.629 -4.046 2.114 1.00 1.10 C ATOM 79 C LYS A 7 16.013 -2.873 2.866 1.00 0.91 C ATOM 80 O LYS A 7 16.595 -2.372 3.828 1.00 0.98 O ATOM 81 CB LYS A 7 16.556 -5.315 2.966 1.00 1.37 C ATOM 82 CG LYS A 7 15.532 -6.323 2.466 1.00 1.06 C ATOM 83 CD LYS A 7 14.752 -6.946 3.613 1.00 1.05 C ATOM 84 CE LYS A 7 13.683 -6.000 4.139 1.00 1.34 C ATOM 85 NZ LYS A 7 13.948 -5.581 5.539 1.00 2.06 N ATOM 0 H LYS A 7 18.704 -4.270 2.291 1.00 1.09 H new ATOM 0 HA LYS A 7 16.068 -4.217 1.195 1.00 1.10 H new ATOM 0 HB2 LYS A 7 17.538 -5.787 2.986 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.313 -5.041 3.992 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.842 -5.831 1.781 1.00 1.06 H new ATOM 0 HG3 LYS A 7 16.038 -7.106 1.901 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.286 -7.872 3.277 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.436 -7.208 4.420 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.634 -5.118 3.500 1.00 1.34 H new ATOM 0 HE3 LYS A 7 12.710 -6.488 4.085 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 13.734 -4.569 5.645 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 13.347 -6.131 6.186 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 14.948 -5.750 5.768 1.00 2.06 H new ATOM 99 N PRO A 8 14.855 -2.385 2.410 1.00 0.74 N ATOM 100 CA PRO A 8 14.190 -1.247 3.030 1.00 0.60 C ATOM 101 C PRO A 8 13.536 -1.628 4.347 1.00 0.52 C ATOM 102 O PRO A 8 13.319 -2.810 4.626 1.00 0.60 O ATOM 103 CB PRO A 8 13.119 -0.832 2.009 1.00 0.61 C ATOM 104 CG PRO A 8 13.343 -1.681 0.800 1.00 0.84 C ATOM 105 CD PRO A 8 14.109 -2.887 1.254 1.00 0.81 C ATOM 0 HA PRO A 8 14.893 -0.448 3.264 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.118 -0.985 2.412 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.205 0.226 1.763 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.394 -1.973 0.351 1.00 0.84 H new ATOM 0 HG3 PRO A 8 13.900 -1.133 0.040 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.446 -3.708 1.527 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.774 -3.260 0.475 1.00 0.81 H new ATOM 113 N ASP A 9 13.134 -0.627 5.108 1.00 0.44 N ATOM 114 CA ASP A 9 12.384 -0.870 6.327 1.00 0.48 C ATOM 115 C ASP A 9 10.900 -0.842 5.998 1.00 0.41 C ATOM 116 O ASP A 9 10.510 -0.225 5.005 1.00 0.41 O ATOM 117 CB ASP A 9 12.727 0.187 7.380 1.00 0.61 C ATOM 118 CG ASP A 9 12.839 -0.389 8.773 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.559 -1.394 8.951 1.00 1.19 O ATOM 120 OD2 ASP A 9 12.201 0.157 9.699 1.00 1.53 O ATOM 0 H ASP A 9 13.313 0.357 4.906 1.00 0.44 H new ATOM 0 HA ASP A 9 12.646 -1.845 6.737 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.669 0.667 7.113 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.961 0.962 7.373 1.00 0.61 H new ATOM 125 N PRO A 10 10.055 -1.545 6.771 1.00 0.56 N ATOM 126 CA PRO A 10 8.610 -1.558 6.536 1.00 0.74 C ATOM 127 C PRO A 10 8.053 -0.145 6.401 1.00 0.67 C ATOM 128 O PRO A 10 8.425 0.746 7.174 1.00 0.97 O ATOM 129 CB PRO A 10 8.055 -2.237 7.787 1.00 1.05 C ATOM 130 CG PRO A 10 9.158 -3.121 8.252 1.00 1.12 C ATOM 131 CD PRO A 10 10.435 -2.407 7.907 1.00 0.78 C ATOM 0 HA PRO A 10 8.342 -2.068 5.611 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.785 -1.506 8.549 1.00 1.05 H new ATOM 0 HB3 PRO A 10 7.155 -2.810 7.562 1.00 1.05 H new ATOM 0 HG2 PRO A 10 9.089 -3.300 9.325 1.00 1.12 H new ATOM 0 HG3 PRO A 10 9.111 -4.094 7.763 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.807 -1.821 8.748 1.00 0.78 H new ATOM 0 HD3 PRO A 10 11.224 -3.107 7.633 1.00 0.78 H new ATOM 139 N PRO A 11 7.232 0.096 5.361 1.00 0.37 N ATOM 140 CA PRO A 11 6.672 1.420 5.072 1.00 0.38 C ATOM 141 C PRO A 11 6.088 2.082 6.310 1.00 0.28 C ATOM 142 O PRO A 11 5.458 1.423 7.139 1.00 0.35 O ATOM 143 CB PRO A 11 5.574 1.113 4.057 1.00 0.50 C ATOM 144 CG PRO A 11 6.071 -0.088 3.333 1.00 0.64 C ATOM 145 CD PRO A 11 6.831 -0.900 4.348 1.00 0.41 C ATOM 0 HA PRO A 11 7.426 2.119 4.710 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.621 0.916 4.548 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.415 1.950 3.377 1.00 0.50 H new ATOM 0 HG2 PRO A 11 5.244 -0.662 2.915 1.00 0.64 H new ATOM 0 HG3 PRO A 11 6.714 0.197 2.500 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.209 -1.684 4.781 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.697 -1.389 3.902 1.00 0.41 H new ATOM 153 N GLU A 12 6.345 3.365 6.464 1.00 0.28 N ATOM 154 CA GLU A 12 5.890 4.083 7.638 1.00 0.30 C ATOM 155 C GLU A 12 4.908 5.176 7.252 1.00 0.28 C ATOM 156 O GLU A 12 4.745 5.483 6.072 1.00 0.31 O ATOM 157 CB GLU A 12 7.079 4.680 8.391 1.00 0.47 C ATOM 158 CG GLU A 12 7.857 5.712 7.594 1.00 0.98 C ATOM 159 CD GLU A 12 8.826 6.492 8.454 1.00 1.58 C ATOM 160 OE1 GLU A 12 9.768 5.881 9.003 1.00 2.11 O ATOM 161 OE2 GLU A 12 8.651 7.723 8.590 1.00 2.09 O ATOM 0 H GLU A 12 6.865 3.931 5.793 1.00 0.28 H new ATOM 0 HA GLU A 12 5.379 3.378 8.294 1.00 0.30 H new ATOM 0 HB2 GLU A 12 6.719 5.141 9.311 1.00 0.47 H new ATOM 0 HB3 GLU A 12 7.754 3.875 8.681 1.00 0.47 H new ATOM 0 HG2 GLU A 12 8.405 5.213 6.795 1.00 0.98 H new ATOM 0 HG3 GLU A 12 7.160 6.402 7.119 1.00 0.98 H new ATOM 168 N ASN A 13 4.245 5.731 8.259 1.00 0.33 N ATOM 169 CA ASN A 13 3.257 6.797 8.065 1.00 0.37 C ATOM 170 C ASN A 13 2.118 6.314 7.168 1.00 0.32 C ATOM 171 O ASN A 13 1.663 7.029 6.276 1.00 0.35 O ATOM 172 CB ASN A 13 3.926 8.039 7.457 1.00 0.45 C ATOM 173 CG ASN A 13 3.178 9.324 7.758 1.00 0.62 C ATOM 174 OD1 ASN A 13 2.417 9.407 8.721 1.00 0.82 O ATOM 175 ND2 ASN A 13 3.396 10.339 6.939 1.00 1.01 N ATOM 0 H ASN A 13 4.373 5.459 9.234 1.00 0.33 H new ATOM 0 HA ASN A 13 2.841 7.065 9.036 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.944 8.120 7.839 1.00 0.45 H new ATOM 0 HB3 ASN A 13 4.000 7.913 6.377 1.00 0.45 H new ATOM 0 HD21 ASN A 13 2.926 11.230 7.095 1.00 1.01 H new ATOM 0 HD22 ASN A 13 4.035 10.231 6.151 1.00 1.01 H new ATOM 182 N VAL A 14 1.740 5.056 7.350 1.00 0.30 N ATOM 183 CA VAL A 14 0.753 4.418 6.493 1.00 0.29 C ATOM 184 C VAL A 14 -0.661 4.596 7.028 1.00 0.32 C ATOM 185 O VAL A 14 -0.965 4.221 8.162 1.00 0.47 O ATOM 186 CB VAL A 14 1.038 2.912 6.334 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.550 2.420 4.989 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.522 2.618 6.493 1.00 0.69 C ATOM 0 H VAL A 14 2.105 4.455 8.089 1.00 0.30 H new ATOM 0 HA VAL A 14 0.829 4.907 5.522 1.00 0.29 H new ATOM 0 HB VAL A 14 0.498 2.383 7.119 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.759 1.355 4.894 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.524 2.588 4.908 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.063 2.963 4.195 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.696 1.548 6.376 1.00 0.69 H new ATOM 0 HG22 VAL A 14 3.084 3.162 5.734 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.851 2.933 7.483 1.00 0.69 H new ATOM 198 N VAL A 15 -1.526 5.149 6.190 1.00 0.27 N ATOM 199 CA VAL A 15 -2.921 5.355 6.544 1.00 0.35 C ATOM 200 C VAL A 15 -3.797 5.398 5.291 1.00 0.34 C ATOM 201 O VAL A 15 -3.559 6.191 4.376 1.00 0.39 O ATOM 202 CB VAL A 15 -3.112 6.658 7.367 1.00 0.43 C ATOM 203 CG1 VAL A 15 -2.423 7.839 6.696 1.00 1.34 C ATOM 204 CG2 VAL A 15 -4.591 6.951 7.591 1.00 1.48 C ATOM 0 H VAL A 15 -1.282 5.465 5.252 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.228 4.512 7.163 1.00 0.35 H new ATOM 0 HB VAL A 15 -2.645 6.506 8.340 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -2.574 8.737 7.295 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -1.356 7.636 6.609 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.846 7.990 5.703 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -4.697 7.869 8.170 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -5.088 7.070 6.628 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -5.047 6.124 8.135 1.00 1.48 H new ATOM 214 N ALA A 16 -4.815 4.549 5.261 1.00 0.35 N ATOM 215 CA ALA A 16 -5.772 4.544 4.166 1.00 0.38 C ATOM 216 C ALA A 16 -7.018 5.316 4.579 1.00 0.36 C ATOM 217 O ALA A 16 -7.557 5.096 5.663 1.00 0.39 O ATOM 218 CB ALA A 16 -6.128 3.119 3.779 1.00 0.45 C ATOM 0 H ALA A 16 -4.999 3.854 5.985 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.326 5.027 3.297 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.845 3.133 2.958 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.227 2.591 3.465 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.567 2.608 4.636 1.00 0.45 H new ATOM 224 N ARG A 17 -7.408 6.287 3.772 1.00 0.37 N ATOM 225 CA ARG A 17 -8.519 7.157 4.124 1.00 0.37 C ATOM 226 C ARG A 17 -9.568 7.175 3.024 1.00 0.35 C ATOM 227 O ARG A 17 -9.255 7.406 1.859 1.00 0.48 O ATOM 228 CB ARG A 17 -8.018 8.578 4.390 1.00 0.50 C ATOM 229 CG ARG A 17 -8.009 8.950 5.863 1.00 1.21 C ATOM 230 CD ARG A 17 -8.724 10.268 6.112 1.00 1.69 C ATOM 231 NE ARG A 17 -8.833 10.566 7.539 1.00 2.32 N ATOM 232 CZ ARG A 17 -9.957 10.444 8.247 1.00 3.06 C ATOM 233 NH1 ARG A 17 -11.088 10.091 7.650 1.00 3.37 N ATOM 234 NH2 ARG A 17 -9.951 10.695 9.547 1.00 3.99 N ATOM 0 H ARG A 17 -6.975 6.493 2.872 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.979 6.765 5.031 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.009 8.680 3.991 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.647 9.284 3.849 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -8.489 8.160 6.441 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -6.980 9.022 6.214 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -8.186 11.073 5.613 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -9.720 10.230 5.672 1.00 1.69 H new ATOM 0 HE ARG A 17 -7.996 10.888 8.025 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -11.100 9.912 6.646 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -11.945 9.999 8.195 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -9.087 10.982 10.007 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -10.810 10.602 10.088 1.00 3.99 H new ATOM 248 N PRO A 18 -10.830 6.911 3.378 1.00 0.31 N ATOM 249 CA PRO A 18 -11.934 6.918 2.418 1.00 0.38 C ATOM 250 C PRO A 18 -12.192 8.315 1.867 1.00 0.39 C ATOM 251 O PRO A 18 -12.202 9.294 2.616 1.00 0.46 O ATOM 252 CB PRO A 18 -13.134 6.435 3.238 1.00 0.49 C ATOM 253 CG PRO A 18 -12.776 6.717 4.656 1.00 0.57 C ATOM 254 CD PRO A 18 -11.282 6.590 4.744 1.00 0.43 C ATOM 0 HA PRO A 18 -11.726 6.293 1.549 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.045 6.960 2.950 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.316 5.372 3.082 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.100 7.716 4.948 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -13.267 6.014 5.329 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.863 7.278 5.478 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.981 5.585 5.041 1.00 0.43 H new ATOM 262 N VAL A 19 -12.381 8.407 0.561 1.00 0.40 N ATOM 263 CA VAL A 19 -12.636 9.687 -0.082 1.00 0.45 C ATOM 264 C VAL A 19 -14.102 10.076 0.087 1.00 0.48 C ATOM 265 O VAL A 19 -14.999 9.351 -0.338 1.00 0.47 O ATOM 266 CB VAL A 19 -12.273 9.655 -1.582 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.522 11.009 -2.229 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.822 9.238 -1.765 1.00 0.52 C ATOM 0 H VAL A 19 -12.363 7.610 -0.076 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.002 10.431 0.401 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.913 8.922 -2.073 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.259 10.961 -3.286 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.575 11.272 -2.129 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -11.911 11.765 -1.737 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.580 9.220 -2.828 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.172 9.950 -1.257 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.673 8.245 -1.342 1.00 0.52 H new ATOM 278 N PRO A 20 -14.365 11.185 0.789 1.00 0.58 N ATOM 279 CA PRO A 20 -15.730 11.619 1.100 1.00 0.69 C ATOM 280 C PRO A 20 -16.559 11.894 -0.152 1.00 0.70 C ATOM 281 O PRO A 20 -17.773 11.708 -0.158 1.00 1.27 O ATOM 282 CB PRO A 20 -15.533 12.909 1.910 1.00 0.84 C ATOM 283 CG PRO A 20 -14.120 13.320 1.666 1.00 0.97 C ATOM 284 CD PRO A 20 -13.357 12.054 1.413 1.00 0.67 C ATOM 0 HA PRO A 20 -16.281 10.847 1.638 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.228 13.684 1.589 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -15.714 12.738 2.971 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.052 13.993 0.812 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -13.715 13.854 2.526 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -12.504 12.221 0.755 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -12.969 11.624 2.336 1.00 0.67 H new ATOM 292 N SER A 21 -15.901 12.339 -1.211 1.00 0.80 N ATOM 293 CA SER A 21 -16.591 12.655 -2.452 1.00 0.85 C ATOM 294 C SER A 21 -16.483 11.505 -3.456 1.00 0.65 C ATOM 295 O SER A 21 -16.744 11.679 -4.647 1.00 0.69 O ATOM 296 CB SER A 21 -16.028 13.949 -3.043 1.00 1.07 C ATOM 297 OG SER A 21 -15.796 14.907 -2.019 1.00 1.49 O ATOM 0 H SER A 21 -14.892 12.489 -1.236 1.00 0.80 H new ATOM 0 HA SER A 21 -17.649 12.797 -2.233 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.097 13.740 -3.570 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.726 14.354 -3.776 1.00 1.07 H new ATOM 0 HG SER A 21 -15.434 15.728 -2.415 1.00 1.49 H new ATOM 303 N ASN A 22 -16.153 10.318 -2.961 1.00 0.55 N ATOM 304 CA ASN A 22 -16.069 9.133 -3.801 1.00 0.44 C ATOM 305 C ASN A 22 -16.231 7.871 -2.963 1.00 0.40 C ATOM 306 O ASN A 22 -15.289 7.425 -2.310 1.00 0.43 O ATOM 307 CB ASN A 22 -14.740 9.101 -4.541 1.00 0.57 C ATOM 308 CG ASN A 22 -14.889 8.574 -5.948 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.340 7.449 -6.157 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.514 9.380 -6.921 1.00 1.28 N ATOM 0 H ASN A 22 -15.939 10.152 -1.978 1.00 0.55 H new ATOM 0 HA ASN A 22 -16.877 9.173 -4.531 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.318 10.106 -4.573 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.035 8.477 -3.993 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.593 9.078 -7.892 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -14.145 10.306 -6.703 1.00 1.28 H new ATOM 317 N PRO A 23 -17.452 7.316 -2.934 1.00 0.40 N ATOM 318 CA PRO A 23 -17.797 6.153 -2.102 1.00 0.43 C ATOM 319 C PRO A 23 -16.875 4.954 -2.304 1.00 0.48 C ATOM 320 O PRO A 23 -16.547 4.260 -1.354 1.00 0.98 O ATOM 321 CB PRO A 23 -19.227 5.799 -2.542 1.00 0.56 C ATOM 322 CG PRO A 23 -19.477 6.591 -3.781 1.00 0.70 C ATOM 323 CD PRO A 23 -18.621 7.815 -3.665 1.00 0.48 C ATOM 0 HA PRO A 23 -17.699 6.395 -1.044 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.324 4.731 -2.734 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -19.949 6.050 -1.765 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.219 6.017 -4.671 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.530 6.858 -3.868 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.349 8.214 -4.642 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.127 8.615 -3.124 1.00 0.48 H new ATOM 331 N ARG A 24 -16.517 4.673 -3.546 1.00 0.31 N ATOM 332 CA ARG A 24 -15.728 3.486 -3.863 1.00 0.27 C ATOM 333 C ARG A 24 -14.226 3.756 -3.765 1.00 0.26 C ATOM 334 O ARG A 24 -13.410 2.923 -4.171 1.00 0.31 O ATOM 335 CB ARG A 24 -16.075 3.014 -5.278 1.00 0.35 C ATOM 336 CG ARG A 24 -16.363 1.527 -5.387 1.00 0.37 C ATOM 337 CD ARG A 24 -16.368 1.079 -6.838 1.00 0.62 C ATOM 338 NE ARG A 24 -17.116 -0.164 -7.039 1.00 1.27 N ATOM 339 CZ ARG A 24 -16.659 -1.199 -7.743 1.00 2.02 C ATOM 340 NH1 ARG A 24 -15.446 -1.154 -8.283 1.00 2.44 N ATOM 341 NH2 ARG A 24 -17.421 -2.273 -7.922 1.00 2.86 N ATOM 0 H ARG A 24 -16.758 5.248 -4.353 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.972 2.713 -3.134 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.945 3.568 -5.630 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -15.249 3.262 -5.944 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.611 0.966 -4.832 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.328 1.305 -4.931 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -16.803 1.865 -7.456 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -15.341 0.940 -7.175 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.041 -0.242 -6.615 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -14.863 -0.326 -8.159 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -15.098 -1.947 -8.822 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -18.358 -2.306 -7.520 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -17.069 -3.064 -8.461 1.00 2.86 H new ATOM 355 N ARG A 25 -13.861 4.957 -3.331 1.00 0.23 N ATOM 356 CA ARG A 25 -12.465 5.371 -3.356 1.00 0.26 C ATOM 357 C ARG A 25 -11.821 5.401 -1.971 1.00 0.24 C ATOM 358 O ARG A 25 -12.271 6.110 -1.070 1.00 0.24 O ATOM 359 CB ARG A 25 -12.344 6.746 -4.007 1.00 0.32 C ATOM 360 CG ARG A 25 -11.129 6.895 -4.901 1.00 0.51 C ATOM 361 CD ARG A 25 -11.180 8.190 -5.693 1.00 0.80 C ATOM 362 NE ARG A 25 -10.986 7.962 -7.121 1.00 1.32 N ATOM 363 CZ ARG A 25 -10.777 8.929 -8.011 1.00 1.71 C ATOM 364 NH1 ARG A 25 -10.727 10.197 -7.620 1.00 2.14 N ATOM 365 NH2 ARG A 25 -10.619 8.630 -9.295 1.00 2.31 N ATOM 0 H ARG A 25 -14.506 5.655 -2.961 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.927 4.624 -3.940 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.242 6.940 -4.594 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.304 7.505 -3.226 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.224 6.873 -4.294 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -11.074 6.049 -5.586 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.141 8.677 -5.530 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.412 8.870 -5.326 1.00 0.80 H new ATOM 0 HE ARG A 25 -11.012 7.000 -7.459 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.849 10.432 -6.635 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -10.567 10.936 -8.305 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -10.658 7.658 -9.601 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -10.459 9.373 -9.976 1.00 2.31 H new ATOM 379 N LEU A 26 -10.665 4.762 -1.882 1.00 0.29 N ATOM 380 CA LEU A 26 -9.818 4.832 -0.703 1.00 0.35 C ATOM 381 C LEU A 26 -8.485 5.459 -1.080 1.00 0.39 C ATOM 382 O LEU A 26 -7.821 4.990 -2.001 1.00 0.44 O ATOM 383 CB LEU A 26 -9.554 3.433 -0.139 1.00 0.44 C ATOM 384 CG LEU A 26 -10.657 2.842 0.739 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.348 1.384 1.044 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.787 3.636 2.028 1.00 0.43 C ATOM 0 H LEU A 26 -10.287 4.178 -2.628 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.327 5.432 0.051 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.379 2.754 -0.974 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.633 3.466 0.443 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.605 2.898 0.203 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -11.137 0.968 1.670 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.290 0.822 0.112 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.395 1.316 1.569 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.576 3.204 2.643 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.843 3.603 2.572 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.035 4.671 1.794 1.00 0.43 H new ATOM 398 N GLU A 27 -8.066 6.476 -0.354 1.00 0.41 N ATOM 399 CA GLU A 27 -6.767 7.080 -0.592 1.00 0.47 C ATOM 400 C GLU A 27 -5.770 6.579 0.441 1.00 0.41 C ATOM 401 O GLU A 27 -5.843 6.940 1.614 1.00 0.48 O ATOM 402 CB GLU A 27 -6.854 8.608 -0.548 1.00 0.51 C ATOM 403 CG GLU A 27 -5.619 9.298 -1.112 1.00 0.99 C ATOM 404 CD GLU A 27 -5.938 10.618 -1.783 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.222 10.617 -2.999 1.00 1.82 O ATOM 406 OE2 GLU A 27 -5.917 11.660 -1.098 1.00 1.63 O ATOM 0 H GLU A 27 -8.602 6.901 0.403 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.429 6.792 -1.588 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.731 8.931 -1.109 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -7.001 8.927 0.484 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -4.904 9.469 -0.307 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.136 8.637 -1.832 1.00 0.99 H new ATOM 413 N VAL A 28 -4.859 5.723 0.008 1.00 0.40 N ATOM 414 CA VAL A 28 -3.848 5.178 0.895 1.00 0.38 C ATOM 415 C VAL A 28 -2.592 6.026 0.830 1.00 0.35 C ATOM 416 O VAL A 28 -1.991 6.179 -0.233 1.00 0.42 O ATOM 417 CB VAL A 28 -3.480 3.721 0.548 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.158 2.945 1.809 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.588 3.028 -0.227 1.00 0.68 C ATOM 0 H VAL A 28 -4.800 5.391 -0.955 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.271 5.190 1.900 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.598 3.748 -0.091 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.900 1.918 1.549 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.316 3.413 2.319 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.026 2.945 2.468 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.289 2.004 -0.452 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.499 3.017 0.372 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -4.772 3.565 -1.158 1.00 0.68 H new ATOM 429 N THR A 29 -2.209 6.583 1.958 1.00 0.31 N ATOM 430 CA THR A 29 -1.028 7.418 2.025 1.00 0.30 C ATOM 431 C THR A 29 0.013 6.795 2.947 1.00 0.28 C ATOM 432 O THR A 29 -0.330 6.226 3.983 1.00 0.31 O ATOM 433 CB THR A 29 -1.378 8.831 2.525 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.573 8.794 3.324 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.578 9.784 1.357 1.00 0.59 C ATOM 0 H THR A 29 -2.700 6.473 2.845 1.00 0.31 H new ATOM 0 HA THR A 29 -0.618 7.495 1.018 1.00 0.30 H new ATOM 0 HB THR A 29 -0.547 9.189 3.132 1.00 0.35 H new ATOM 0 HG1 THR A 29 -2.785 9.698 3.638 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.824 10.776 1.735 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.661 9.837 0.769 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.392 9.423 0.728 1.00 0.59 H new ATOM 443 N TRP A 30 1.273 6.888 2.559 1.00 0.27 N ATOM 444 CA TRP A 30 2.365 6.347 3.353 1.00 0.28 C ATOM 445 C TRP A 30 3.619 7.184 3.143 1.00 0.27 C ATOM 446 O TRP A 30 3.547 8.296 2.617 1.00 0.33 O ATOM 447 CB TRP A 30 2.635 4.878 2.989 1.00 0.29 C ATOM 448 CG TRP A 30 2.796 4.641 1.517 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.942 4.762 0.786 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.776 4.238 0.598 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.691 4.472 -0.532 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.369 4.147 -0.672 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.417 3.954 0.727 1.00 0.39 C ATOM 454 CZ2 TRP A 30 1.649 3.779 -1.805 1.00 0.41 C ATOM 455 CZ3 TRP A 30 -0.294 3.590 -0.399 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.321 3.508 -1.649 1.00 0.46 C ATOM 0 H TRP A 30 1.568 7.337 1.692 1.00 0.27 H new ATOM 0 HA TRP A 30 2.081 6.386 4.405 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.537 4.546 3.502 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.814 4.264 3.359 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.905 5.044 1.186 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.379 4.495 -1.285 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.070 4.018 1.689 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.124 3.710 -2.772 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.346 3.364 -0.311 1.00 0.49 H new ATOM 0 HH2 TRP A 30 -0.266 3.224 -2.510 1.00 0.46 H new ATOM 467 N GLN A 31 4.753 6.652 3.565 1.00 0.28 N ATOM 468 CA GLN A 31 6.031 7.330 3.428 1.00 0.29 C ATOM 469 C GLN A 31 7.148 6.299 3.396 1.00 0.29 C ATOM 470 O GLN A 31 6.975 5.180 3.890 1.00 0.29 O ATOM 471 CB GLN A 31 6.253 8.294 4.600 1.00 0.32 C ATOM 472 CG GLN A 31 6.360 9.756 4.198 1.00 0.64 C ATOM 473 CD GLN A 31 6.550 9.953 2.708 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.609 9.648 2.155 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.524 10.463 2.048 1.00 0.79 N ATOM 0 H GLN A 31 4.814 5.737 4.013 1.00 0.28 H new ATOM 0 HA GLN A 31 6.031 7.902 2.500 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.431 8.183 5.307 1.00 0.32 H new ATOM 0 HB3 GLN A 31 7.164 8.006 5.124 1.00 0.32 H new ATOM 0 HG2 GLN A 31 5.459 10.280 4.515 1.00 0.64 H new ATOM 0 HG3 GLN A 31 7.197 10.211 4.728 1.00 0.64 H new ATOM 0 HE21 GLN A 31 4.666 10.701 2.545 1.00 0.79 H new ATOM 0 HE22 GLN A 31 5.591 10.618 1.042 1.00 0.79 H new ATOM 484 N THR A 32 8.322 6.704 2.933 1.00 0.34 N ATOM 485 CA THR A 32 9.478 5.833 3.013 1.00 0.36 C ATOM 486 C THR A 32 9.957 5.773 4.451 1.00 0.41 C ATOM 487 O THR A 32 9.887 6.769 5.176 1.00 0.49 O ATOM 488 CB THR A 32 10.641 6.304 2.119 1.00 0.42 C ATOM 489 OG1 THR A 32 10.820 7.722 2.251 1.00 0.49 O ATOM 490 CG2 THR A 32 10.379 5.958 0.662 1.00 0.49 C ATOM 0 H THR A 32 8.495 7.614 2.506 1.00 0.34 H new ATOM 0 HA THR A 32 9.168 4.850 2.659 1.00 0.36 H new ATOM 0 HB THR A 32 11.547 5.791 2.442 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.777 7.931 2.269 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.214 6.301 0.051 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.272 4.878 0.558 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.463 6.447 0.331 1.00 0.49 H new ATOM 498 N PRO A 33 10.420 4.606 4.897 1.00 0.39 N ATOM 499 CA PRO A 33 10.905 4.424 6.263 1.00 0.46 C ATOM 500 C PRO A 33 12.068 5.360 6.580 1.00 0.56 C ATOM 501 O PRO A 33 12.810 5.775 5.684 1.00 0.60 O ATOM 502 CB PRO A 33 11.371 2.966 6.282 1.00 0.46 C ATOM 503 CG PRO A 33 11.578 2.612 4.849 1.00 0.42 C ATOM 504 CD PRO A 33 10.529 3.374 4.105 1.00 0.35 C ATOM 0 HA PRO A 33 10.140 4.647 7.007 1.00 0.46 H new ATOM 0 HB2 PRO A 33 12.292 2.853 6.854 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.626 2.319 6.745 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.578 2.889 4.515 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.474 1.539 4.689 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.826 3.576 3.076 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.584 2.832 4.063 1.00 0.35 H new ATOM 512 N SER A 34 12.236 5.674 7.853 1.00 0.66 N ATOM 513 CA SER A 34 13.301 6.562 8.297 1.00 0.80 C ATOM 514 C SER A 34 14.680 5.968 8.004 1.00 0.86 C ATOM 515 O SER A 34 15.678 6.683 7.954 1.00 0.96 O ATOM 516 CB SER A 34 13.150 6.839 9.792 1.00 0.92 C ATOM 517 OG SER A 34 11.808 7.176 10.115 1.00 1.02 O ATOM 0 H SER A 34 11.643 5.324 8.605 1.00 0.66 H new ATOM 0 HA SER A 34 13.219 7.498 7.745 1.00 0.80 H new ATOM 0 HB2 SER A 34 13.455 5.961 10.361 1.00 0.92 H new ATOM 0 HB3 SER A 34 13.813 7.653 10.083 1.00 0.92 H new ATOM 0 HG SER A 34 11.222 6.417 9.913 1.00 1.02 H new ATOM 523 N THR A 35 14.722 4.656 7.813 1.00 0.82 N ATOM 524 CA THR A 35 15.969 3.956 7.552 1.00 0.91 C ATOM 525 C THR A 35 16.303 3.919 6.055 1.00 0.92 C ATOM 526 O THR A 35 17.358 3.420 5.657 1.00 1.11 O ATOM 527 CB THR A 35 15.887 2.521 8.090 1.00 0.89 C ATOM 528 OG1 THR A 35 14.703 2.382 8.892 1.00 0.85 O ATOM 529 CG2 THR A 35 17.107 2.181 8.927 1.00 1.08 C ATOM 0 H THR A 35 13.900 4.053 7.835 1.00 0.82 H new ATOM 0 HA THR A 35 16.762 4.502 8.062 1.00 0.91 H new ATOM 0 HB THR A 35 15.850 1.836 7.243 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.726 1.523 9.364 1.00 0.85 H new ATOM 0 HG21 THR A 35 17.022 1.159 9.295 1.00 1.08 H new ATOM 0 HG22 THR A 35 18.005 2.273 8.316 1.00 1.08 H new ATOM 0 HG23 THR A 35 17.171 2.867 9.772 1.00 1.08 H new ATOM 537 N TRP A 36 15.420 4.472 5.233 1.00 0.80 N ATOM 538 CA TRP A 36 15.644 4.510 3.794 1.00 0.83 C ATOM 539 C TRP A 36 16.188 5.871 3.371 1.00 1.00 C ATOM 540 O TRP A 36 15.720 6.906 3.847 1.00 1.09 O ATOM 541 CB TRP A 36 14.344 4.209 3.037 1.00 0.74 C ATOM 542 CG TRP A 36 14.540 4.029 1.558 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.224 4.919 0.570 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.108 2.887 0.899 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.557 4.401 -0.659 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.101 3.155 -0.483 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.623 1.664 1.345 1.00 0.97 C ATOM 548 CZ2 TRP A 36 15.586 2.245 -1.421 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.103 0.764 0.412 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.082 1.059 -0.956 1.00 1.21 C ATOM 0 H TRP A 36 14.545 4.899 5.537 1.00 0.80 H new ATOM 0 HA TRP A 36 16.380 3.745 3.546 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.894 3.306 3.449 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.638 5.022 3.206 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.777 5.889 0.732 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.421 4.868 -1.556 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.645 1.428 2.399 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 15.570 2.469 -2.477 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.501 -0.183 0.744 1.00 1.14 H new ATOM 0 HH2 TRP A 36 16.466 0.334 -1.659 1.00 1.21 H new ATOM 561 N PRO A 37 17.204 5.881 2.490 1.00 1.20 N ATOM 562 CA PRO A 37 17.813 7.120 1.979 1.00 1.44 C ATOM 563 C PRO A 37 16.856 7.905 1.068 1.00 1.34 C ATOM 564 O PRO A 37 15.641 7.899 1.275 1.00 1.49 O ATOM 565 CB PRO A 37 19.031 6.612 1.196 1.00 1.76 C ATOM 566 CG PRO A 37 18.676 5.221 0.811 1.00 1.78 C ATOM 567 CD PRO A 37 17.869 4.682 1.952 1.00 1.34 C ATOM 0 HA PRO A 37 18.069 7.818 2.776 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.224 7.229 0.318 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.933 6.636 1.807 1.00 1.76 H new ATOM 0 HG2 PRO A 37 18.104 5.205 -0.116 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.570 4.620 0.644 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.147 3.937 1.618 1.00 1.34 H new ATOM 0 HD3 PRO A 37 18.500 4.202 2.700 1.00 1.34 H new ATOM 575 N ASP A 38 17.402 8.603 0.079 1.00 1.33 N ATOM 576 CA ASP A 38 16.588 9.406 -0.829 1.00 1.35 C ATOM 577 C ASP A 38 15.803 8.520 -1.797 1.00 1.29 C ATOM 578 O ASP A 38 16.383 7.713 -2.522 1.00 1.42 O ATOM 579 CB ASP A 38 17.472 10.376 -1.611 1.00 1.65 C ATOM 580 CG ASP A 38 16.732 11.047 -2.746 1.00 1.90 C ATOM 581 OD1 ASP A 38 15.760 11.779 -2.476 1.00 2.28 O ATOM 582 OD2 ASP A 38 17.123 10.851 -3.914 1.00 2.16 O ATOM 0 H ASP A 38 18.403 8.630 -0.115 1.00 1.33 H new ATOM 0 HA ASP A 38 15.875 9.972 -0.230 1.00 1.35 H new ATOM 0 HB2 ASP A 38 17.859 11.137 -0.933 1.00 1.65 H new ATOM 0 HB3 ASP A 38 18.332 9.838 -2.010 1.00 1.65 H new ATOM 587 N PRO A 39 14.464 8.629 -1.782 1.00 1.31 N ATOM 588 CA PRO A 39 13.580 7.792 -2.604 1.00 1.44 C ATOM 589 C PRO A 39 13.592 8.182 -4.080 1.00 1.61 C ATOM 590 O PRO A 39 13.062 7.458 -4.928 1.00 1.84 O ATOM 591 CB PRO A 39 12.185 8.028 -2.008 1.00 1.62 C ATOM 592 CG PRO A 39 12.411 8.770 -0.731 1.00 1.69 C ATOM 593 CD PRO A 39 13.697 9.518 -0.903 1.00 1.44 C ATOM 0 HA PRO A 39 13.898 6.750 -2.584 1.00 1.44 H new ATOM 0 HB2 PRO A 39 11.560 8.604 -2.690 1.00 1.62 H new ATOM 0 HB3 PRO A 39 11.672 7.084 -1.827 1.00 1.62 H new ATOM 0 HG2 PRO A 39 11.587 9.454 -0.528 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.470 8.083 0.113 1.00 1.69 H new ATOM 0 HD2 PRO A 39 13.540 10.498 -1.354 1.00 1.44 H new ATOM 0 HD3 PRO A 39 14.202 9.682 0.049 1.00 1.44 H new ATOM 601 N GLU A 40 14.191 9.324 -4.387 1.00 1.57 N ATOM 602 CA GLU A 40 14.279 9.786 -5.765 1.00 1.76 C ATOM 603 C GLU A 40 15.396 9.051 -6.495 1.00 1.76 C ATOM 604 O GLU A 40 15.181 8.456 -7.551 1.00 1.90 O ATOM 605 CB GLU A 40 14.520 11.295 -5.814 1.00 1.90 C ATOM 606 CG GLU A 40 13.258 12.109 -6.032 1.00 2.12 C ATOM 607 CD GLU A 40 13.009 12.415 -7.493 1.00 2.36 C ATOM 608 OE1 GLU A 40 13.864 13.068 -8.124 1.00 2.63 O ATOM 609 OE2 GLU A 40 11.953 11.996 -8.021 1.00 2.91 O ATOM 0 H GLU A 40 14.622 9.946 -3.703 1.00 1.57 H new ATOM 0 HA GLU A 40 13.332 9.573 -6.261 1.00 1.76 H new ATOM 0 HB2 GLU A 40 14.988 11.610 -4.881 1.00 1.90 H new ATOM 0 HB3 GLU A 40 15.226 11.515 -6.615 1.00 1.90 H new ATOM 0 HG2 GLU A 40 12.404 11.565 -5.628 1.00 2.12 H new ATOM 0 HG3 GLU A 40 13.332 13.044 -5.476 1.00 2.12 H new ATOM 616 N SER A 41 16.583 9.063 -5.904 1.00 1.67 N ATOM 617 CA SER A 41 17.731 8.378 -6.479 1.00 1.75 C ATOM 618 C SER A 41 17.639 6.873 -6.231 1.00 1.63 C ATOM 619 O SER A 41 18.124 6.072 -7.032 1.00 1.67 O ATOM 620 CB SER A 41 19.025 8.940 -5.891 1.00 1.82 C ATOM 621 OG SER A 41 18.929 10.344 -5.705 1.00 1.89 O ATOM 0 H SER A 41 16.776 9.541 -5.024 1.00 1.67 H new ATOM 0 HA SER A 41 17.734 8.545 -7.556 1.00 1.75 H new ATOM 0 HB2 SER A 41 19.236 8.456 -4.937 1.00 1.82 H new ATOM 0 HB3 SER A 41 19.859 8.713 -6.555 1.00 1.82 H new ATOM 0 HG SER A 41 18.394 10.532 -4.906 1.00 1.89 H new ATOM 627 N PHE A 42 16.960 6.497 -5.154 1.00 1.51 N ATOM 628 CA PHE A 42 16.728 5.090 -4.846 1.00 1.41 C ATOM 629 C PHE A 42 15.230 4.814 -4.785 1.00 1.27 C ATOM 630 O PHE A 42 14.594 5.005 -3.743 1.00 1.40 O ATOM 631 CB PHE A 42 17.396 4.706 -3.520 1.00 1.58 C ATOM 632 CG PHE A 42 18.890 4.856 -3.536 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.669 4.077 -4.377 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.515 5.779 -2.714 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.041 4.215 -4.398 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.889 5.922 -2.730 1.00 3.01 C ATOM 637 CZ PHE A 42 21.652 5.138 -3.573 1.00 3.32 C ATOM 0 H PHE A 42 16.560 7.147 -4.478 1.00 1.51 H new ATOM 0 HA PHE A 42 17.170 4.483 -5.636 1.00 1.41 H new ATOM 0 HB2 PHE A 42 16.985 5.325 -2.723 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.145 3.672 -3.282 1.00 1.58 H new ATOM 0 HD1 PHE A 42 19.196 3.353 -5.024 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.922 6.394 -2.053 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.636 3.602 -5.059 1.00 3.12 H new ATOM 0 HE2 PHE A 42 21.365 6.645 -2.085 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.726 5.247 -3.587 1.00 3.32 H new ATOM 647 N PRO A 43 14.628 4.475 -5.938 1.00 1.24 N ATOM 648 CA PRO A 43 13.179 4.287 -6.058 1.00 1.33 C ATOM 649 C PRO A 43 12.662 3.100 -5.251 1.00 1.26 C ATOM 650 O PRO A 43 12.738 1.949 -5.688 1.00 1.97 O ATOM 651 CB PRO A 43 12.960 4.051 -7.559 1.00 1.58 C ATOM 652 CG PRO A 43 14.289 3.636 -8.087 1.00 1.75 C ATOM 653 CD PRO A 43 15.307 4.338 -7.238 1.00 1.40 C ATOM 0 HA PRO A 43 12.637 5.147 -5.665 1.00 1.33 H new ATOM 0 HB2 PRO A 43 12.210 3.279 -7.731 1.00 1.58 H new ATOM 0 HB3 PRO A 43 12.605 4.956 -8.052 1.00 1.58 H new ATOM 0 HG2 PRO A 43 14.412 2.554 -8.029 1.00 1.75 H new ATOM 0 HG3 PRO A 43 14.397 3.914 -9.136 1.00 1.75 H new ATOM 0 HD2 PRO A 43 16.227 3.760 -7.152 1.00 1.40 H new ATOM 0 HD3 PRO A 43 15.578 5.308 -7.654 1.00 1.40 H new ATOM 661 N LEU A 44 12.075 3.402 -4.101 1.00 0.98 N ATOM 662 CA LEU A 44 11.468 2.386 -3.262 1.00 0.82 C ATOM 663 C LEU A 44 10.110 1.990 -3.821 1.00 0.78 C ATOM 664 O LEU A 44 9.126 2.709 -3.650 1.00 0.98 O ATOM 665 CB LEU A 44 11.313 2.899 -1.828 1.00 0.83 C ATOM 666 CG LEU A 44 11.801 1.944 -0.735 1.00 0.70 C ATOM 667 CD1 LEU A 44 11.364 2.438 0.633 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.283 0.537 -0.979 1.00 1.29 C ATOM 0 H LEU A 44 12.008 4.349 -3.729 1.00 0.98 H new ATOM 0 HA LEU A 44 12.118 1.511 -3.252 1.00 0.82 H new ATOM 0 HB2 LEU A 44 11.857 3.839 -1.735 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.261 3.120 -1.651 1.00 0.83 H new ATOM 0 HG LEU A 44 12.890 1.918 -0.765 1.00 0.70 H new ATOM 0 HD11 LEU A 44 11.719 1.748 1.399 1.00 1.54 H new ATOM 0 HD12 LEU A 44 11.783 3.428 0.813 1.00 1.54 H new ATOM 0 HD13 LEU A 44 10.276 2.493 0.670 1.00 1.54 H new ATOM 0 HD21 LEU A 44 11.642 -0.125 -0.191 1.00 1.29 H new ATOM 0 HD22 LEU A 44 10.193 0.545 -0.978 1.00 1.29 H new ATOM 0 HD23 LEU A 44 11.642 0.179 -1.944 1.00 1.29 H new ATOM 680 N LYS A 45 10.066 0.851 -4.485 1.00 0.70 N ATOM 681 CA LYS A 45 8.829 0.356 -5.055 1.00 0.68 C ATOM 682 C LYS A 45 7.938 -0.226 -3.965 1.00 0.60 C ATOM 683 O LYS A 45 8.236 -1.278 -3.396 1.00 0.76 O ATOM 684 CB LYS A 45 9.112 -0.697 -6.127 1.00 0.78 C ATOM 685 CG LYS A 45 7.961 -0.903 -7.097 1.00 1.13 C ATOM 686 CD LYS A 45 8.397 -1.701 -8.313 1.00 1.25 C ATOM 687 CE LYS A 45 7.846 -1.104 -9.596 1.00 1.41 C ATOM 688 NZ LYS A 45 7.855 -2.081 -10.713 1.00 1.75 N ATOM 0 H LYS A 45 10.875 0.250 -4.643 1.00 0.70 H new ATOM 0 HA LYS A 45 8.309 1.192 -5.523 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.000 -0.404 -6.687 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.341 -1.646 -5.641 1.00 0.78 H new ATOM 0 HG2 LYS A 45 7.146 -1.422 -6.592 1.00 1.13 H new ATOM 0 HG3 LYS A 45 7.574 0.065 -7.415 1.00 1.13 H new ATOM 0 HD2 LYS A 45 9.486 -1.728 -8.361 1.00 1.25 H new ATOM 0 HD3 LYS A 45 8.057 -2.732 -8.214 1.00 1.25 H new ATOM 0 HE2 LYS A 45 6.827 -0.757 -9.426 1.00 1.41 H new ATOM 0 HE3 LYS A 45 8.437 -0.231 -9.873 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 8.498 -1.748 -11.460 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 8.179 -3.005 -10.363 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 6.894 -2.175 -11.100 1.00 1.75 H new ATOM 702 N PHE A 46 6.864 0.480 -3.661 1.00 0.46 N ATOM 703 CA PHE A 46 5.917 0.034 -2.658 1.00 0.41 C ATOM 704 C PHE A 46 4.909 -0.911 -3.285 1.00 0.44 C ATOM 705 O PHE A 46 4.460 -0.693 -4.412 1.00 0.58 O ATOM 706 CB PHE A 46 5.199 1.229 -2.027 1.00 0.42 C ATOM 707 CG PHE A 46 6.078 2.053 -1.134 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.363 1.633 0.155 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.617 3.245 -1.581 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.174 2.388 0.978 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.430 4.003 -0.763 1.00 0.48 C ATOM 712 CZ PHE A 46 7.697 3.581 0.523 1.00 0.47 C ATOM 0 H PHE A 46 6.626 1.370 -4.098 1.00 0.46 H new ATOM 0 HA PHE A 46 6.461 -0.493 -1.874 1.00 0.41 H new ATOM 0 HB2 PHE A 46 4.803 1.864 -2.819 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.347 0.868 -1.451 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.946 0.706 0.520 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.399 3.587 -2.582 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.399 2.045 1.977 1.00 0.47 H new ATOM 0 HE2 PHE A 46 7.857 4.925 -1.129 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.314 4.184 1.173 1.00 0.47 H new ATOM 722 N PHE A 47 4.616 -1.994 -2.589 1.00 0.40 N ATOM 723 CA PHE A 47 3.710 -3.002 -3.106 1.00 0.44 C ATOM 724 C PHE A 47 2.448 -3.055 -2.268 1.00 0.39 C ATOM 725 O PHE A 47 2.430 -3.639 -1.184 1.00 0.59 O ATOM 726 CB PHE A 47 4.393 -4.369 -3.135 1.00 0.55 C ATOM 727 CG PHE A 47 5.592 -4.400 -4.030 1.00 0.53 C ATOM 728 CD1 PHE A 47 5.440 -4.448 -5.404 1.00 0.60 C ATOM 729 CD2 PHE A 47 6.870 -4.402 -3.497 1.00 0.65 C ATOM 730 CE1 PHE A 47 6.541 -4.495 -6.232 1.00 0.68 C ATOM 731 CE2 PHE A 47 7.976 -4.452 -4.323 1.00 0.75 C ATOM 732 CZ PHE A 47 7.817 -4.416 -5.684 1.00 0.73 C ATOM 0 H PHE A 47 4.993 -2.198 -1.663 1.00 0.40 H new ATOM 0 HA PHE A 47 3.436 -2.733 -4.126 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.694 -4.641 -2.123 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.677 -5.121 -3.468 1.00 0.55 H new ATOM 0 HD1 PHE A 47 4.449 -4.449 -5.832 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.003 -4.364 -2.426 1.00 0.65 H new ATOM 0 HE1 PHE A 47 6.414 -4.593 -7.300 1.00 0.68 H new ATOM 0 HE2 PHE A 47 8.966 -4.519 -3.897 1.00 0.75 H new ATOM 0 HZ PHE A 47 8.679 -4.327 -6.328 1.00 0.73 H new ATOM 742 N LEU A 48 1.417 -2.391 -2.754 1.00 0.33 N ATOM 743 CA LEU A 48 0.152 -2.307 -2.047 1.00 0.35 C ATOM 744 C LEU A 48 -0.813 -3.372 -2.552 1.00 0.35 C ATOM 745 O LEU A 48 -1.152 -3.394 -3.731 1.00 0.57 O ATOM 746 CB LEU A 48 -0.456 -0.915 -2.242 1.00 0.44 C ATOM 747 CG LEU A 48 -1.777 -0.672 -1.514 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.609 0.409 -0.463 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.871 -0.291 -2.501 1.00 1.05 C ATOM 0 H LEU A 48 1.431 -1.896 -3.646 1.00 0.33 H new ATOM 0 HA LEU A 48 0.331 -2.478 -0.985 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.267 -0.171 -1.907 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.612 -0.751 -3.308 1.00 0.44 H new ATOM 0 HG LEU A 48 -2.072 -1.596 -1.017 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -2.558 0.571 0.047 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.856 0.098 0.261 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -1.292 1.335 -0.941 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.804 -0.122 -1.963 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.585 0.620 -3.027 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -3.008 -1.098 -3.221 1.00 1.05 H new ATOM 761 N ARG A 49 -1.275 -4.230 -1.656 1.00 0.26 N ATOM 762 CA ARG A 49 -2.261 -5.242 -2.015 1.00 0.27 C ATOM 763 C ARG A 49 -3.489 -5.096 -1.137 1.00 0.24 C ATOM 764 O ARG A 49 -3.372 -4.996 0.080 1.00 0.30 O ATOM 765 CB ARG A 49 -1.685 -6.656 -1.888 1.00 0.34 C ATOM 766 CG ARG A 49 -0.884 -6.887 -0.616 1.00 0.44 C ATOM 767 CD ARG A 49 0.421 -7.608 -0.905 1.00 0.75 C ATOM 768 NE ARG A 49 0.227 -9.038 -1.141 1.00 1.07 N ATOM 769 CZ ARG A 49 0.432 -9.636 -2.316 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.861 -8.933 -3.357 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.245 -10.942 -2.437 1.00 2.02 N ATOM 0 H ARG A 49 -0.986 -4.248 -0.678 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.540 -5.090 -3.058 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.503 -7.375 -1.925 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.046 -6.855 -2.748 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.674 -5.930 -0.138 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.476 -7.472 0.087 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.895 -7.159 -1.778 1.00 0.75 H new ATOM 0 HD3 ARG A 49 1.103 -7.470 -0.066 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.084 -9.614 -0.359 1.00 1.07 H new ATOM 0 HH11 ARG A 49 1.035 -7.933 -3.260 1.00 1.64 H new ATOM 0 HH12 ARG A 49 1.017 -9.393 -4.254 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -0.056 -11.491 -1.632 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.402 -11.399 -3.336 1.00 2.02 H new ATOM 785 N TYR A 50 -4.657 -5.035 -1.757 1.00 0.26 N ATOM 786 CA TYR A 50 -5.894 -4.837 -1.016 1.00 0.27 C ATOM 787 C TYR A 50 -6.879 -5.980 -1.259 1.00 0.28 C ATOM 788 O TYR A 50 -7.472 -6.101 -2.334 1.00 0.36 O ATOM 789 CB TYR A 50 -6.536 -3.481 -1.361 1.00 0.35 C ATOM 790 CG TYR A 50 -6.586 -3.152 -2.843 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.464 -2.675 -3.509 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.761 -3.309 -3.569 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.510 -2.369 -4.855 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.815 -3.004 -4.915 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.686 -2.536 -5.554 1.00 0.90 C ATOM 796 OH TYR A 50 -6.737 -2.231 -6.896 1.00 1.13 O ATOM 0 H TYR A 50 -4.775 -5.119 -2.767 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.642 -4.833 0.045 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.552 -3.466 -0.967 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.984 -2.694 -0.848 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.541 -2.541 -2.965 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.647 -3.676 -3.072 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.628 -2.000 -5.358 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.736 -3.131 -5.464 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.639 -2.407 -7.237 1.00 1.13 H new ATOM 806 N ARG A 51 -7.027 -6.832 -0.257 1.00 0.29 N ATOM 807 CA ARG A 51 -7.957 -7.951 -0.325 1.00 0.34 C ATOM 808 C ARG A 51 -9.308 -7.557 0.266 1.00 0.29 C ATOM 809 O ARG A 51 -9.393 -7.200 1.443 1.00 0.33 O ATOM 810 CB ARG A 51 -7.389 -9.166 0.417 1.00 0.46 C ATOM 811 CG ARG A 51 -8.276 -10.398 0.358 1.00 0.64 C ATOM 812 CD ARG A 51 -8.041 -11.317 1.548 1.00 1.25 C ATOM 813 NE ARG A 51 -6.817 -12.110 1.403 1.00 1.72 N ATOM 814 CZ ARG A 51 -5.822 -12.125 2.292 1.00 2.29 C ATOM 815 NH1 ARG A 51 -5.920 -11.434 3.423 1.00 2.62 N ATOM 816 NH2 ARG A 51 -4.737 -12.849 2.051 1.00 3.10 N ATOM 0 H ARG A 51 -6.511 -6.770 0.621 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.098 -8.218 -1.372 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.414 -9.413 -0.004 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.227 -8.898 1.461 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.322 -10.093 0.335 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -8.082 -10.942 -0.566 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.980 -10.721 2.458 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -8.894 -11.986 1.662 1.00 1.25 H new ATOM 0 HE ARG A 51 -6.719 -12.688 0.568 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -6.760 -10.888 3.616 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -5.156 -11.450 4.098 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -4.666 -13.391 1.190 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -3.973 -12.864 2.727 1.00 3.10 H new ATOM 830 N PRO A 52 -10.387 -7.654 -0.522 1.00 0.32 N ATOM 831 CA PRO A 52 -11.735 -7.394 -0.031 1.00 0.38 C ATOM 832 C PRO A 52 -12.215 -8.524 0.873 1.00 0.44 C ATOM 833 O PRO A 52 -11.944 -9.694 0.598 1.00 0.51 O ATOM 834 CB PRO A 52 -12.572 -7.332 -1.307 1.00 0.52 C ATOM 835 CG PRO A 52 -11.842 -8.187 -2.286 1.00 0.65 C ATOM 836 CD PRO A 52 -10.380 -8.090 -1.932 1.00 0.45 C ATOM 0 HA PRO A 52 -11.799 -6.485 0.568 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.583 -7.703 -1.135 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.665 -6.308 -1.669 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.187 -9.220 -2.232 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.018 -7.845 -3.306 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.875 -9.049 -2.052 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -9.861 -7.374 -2.569 1.00 0.45 H new ATOM 844 N LEU A 53 -12.872 -8.180 1.974 1.00 0.50 N ATOM 845 CA LEU A 53 -13.307 -9.177 2.958 1.00 0.65 C ATOM 846 C LEU A 53 -14.499 -9.999 2.453 1.00 0.81 C ATOM 847 O LEU A 53 -15.389 -10.363 3.223 1.00 1.22 O ATOM 848 CB LEU A 53 -13.662 -8.494 4.281 1.00 0.70 C ATOM 849 CG LEU A 53 -12.706 -8.786 5.441 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.376 -8.081 5.225 1.00 1.32 C ATOM 851 CD2 LEU A 53 -13.328 -8.364 6.763 1.00 1.40 C ATOM 0 H LEU A 53 -13.118 -7.219 2.212 1.00 0.50 H new ATOM 0 HA LEU A 53 -12.476 -9.865 3.116 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.693 -7.417 4.119 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -14.666 -8.801 4.572 1.00 0.70 H new ATOM 0 HG LEU A 53 -12.523 -9.860 5.476 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -10.709 -8.299 6.059 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.924 -8.432 4.297 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.540 -7.005 5.164 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -12.635 -8.579 7.576 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -13.541 -7.295 6.740 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -14.255 -8.915 6.921 1.00 1.40 H new ATOM 863 N ILE A 54 -14.461 -10.355 1.179 1.00 0.85 N ATOM 864 CA ILE A 54 -15.475 -11.204 0.572 1.00 1.01 C ATOM 865 C ILE A 54 -14.834 -12.138 -0.445 1.00 1.08 C ATOM 866 O ILE A 54 -15.340 -13.227 -0.710 1.00 1.34 O ATOM 867 CB ILE A 54 -16.571 -10.385 -0.143 1.00 1.16 C ATOM 868 CG1 ILE A 54 -15.991 -9.091 -0.723 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.723 -10.086 0.803 1.00 1.27 C ATOM 870 CD1 ILE A 54 -16.728 -8.594 -1.947 1.00 1.46 C ATOM 0 H ILE A 54 -13.725 -10.063 0.535 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.937 -11.771 1.381 1.00 1.01 H new ATOM 0 HB ILE A 54 -16.958 -10.982 -0.969 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.013 -8.317 0.044 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -14.945 -9.255 -0.980 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.484 -9.508 0.278 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -18.157 -11.022 1.155 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -17.355 -9.513 1.654 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -16.263 -7.675 -2.304 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -16.684 -9.351 -2.730 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -17.769 -8.398 -1.690 1.00 1.46 H new ATOM 882 N LEU A 55 -13.721 -11.699 -1.019 1.00 0.95 N ATOM 883 CA LEU A 55 -13.013 -12.481 -2.015 1.00 1.10 C ATOM 884 C LEU A 55 -11.559 -12.658 -1.609 1.00 1.12 C ATOM 885 O LEU A 55 -10.837 -11.680 -1.412 1.00 1.51 O ATOM 886 CB LEU A 55 -13.090 -11.800 -3.382 1.00 1.25 C ATOM 887 CG LEU A 55 -13.518 -12.709 -4.535 1.00 1.48 C ATOM 888 CD1 LEU A 55 -14.578 -12.027 -5.383 1.00 1.69 C ATOM 889 CD2 LEU A 55 -12.316 -13.088 -5.386 1.00 2.11 C ATOM 0 H LEU A 55 -13.290 -10.799 -0.808 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.485 -13.461 -2.082 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.790 -10.967 -3.317 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.113 -11.378 -3.616 1.00 1.25 H new ATOM 0 HG LEU A 55 -13.946 -13.620 -4.117 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -14.871 -12.687 -6.199 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -15.449 -11.803 -4.766 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -14.176 -11.101 -5.793 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -12.638 -13.735 -6.202 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -11.861 -12.186 -5.796 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -11.586 -13.615 -4.771 1.00 2.11 H new ATOM 901 N ASP A 56 -11.140 -13.905 -1.483 1.00 1.38 N ATOM 902 CA ASP A 56 -9.768 -14.224 -1.109 1.00 1.54 C ATOM 903 C ASP A 56 -8.836 -14.063 -2.304 1.00 1.19 C ATOM 904 O ASP A 56 -8.330 -15.041 -2.860 1.00 1.44 O ATOM 905 CB ASP A 56 -9.679 -15.652 -0.564 1.00 2.08 C ATOM 906 CG ASP A 56 -8.323 -15.964 0.028 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.628 -15.028 0.473 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.950 -17.157 0.069 1.00 2.89 O ATOM 0 H ASP A 56 -11.733 -14.721 -1.635 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.458 -13.530 -0.328 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -10.446 -15.795 0.198 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.892 -16.358 -1.367 1.00 2.08 H new ATOM 913 N GLN A 57 -8.653 -12.824 -2.724 1.00 0.83 N ATOM 914 CA GLN A 57 -7.806 -12.520 -3.860 1.00 0.93 C ATOM 915 C GLN A 57 -6.958 -11.288 -3.566 1.00 0.79 C ATOM 916 O GLN A 57 -7.430 -10.324 -2.955 1.00 0.82 O ATOM 917 CB GLN A 57 -8.659 -12.320 -5.121 1.00 1.30 C ATOM 918 CG GLN A 57 -8.878 -10.867 -5.520 1.00 1.81 C ATOM 919 CD GLN A 57 -8.599 -10.626 -6.987 1.00 2.19 C ATOM 920 OE1 GLN A 57 -7.573 -11.055 -7.516 1.00 2.89 O ATOM 921 NE2 GLN A 57 -9.508 -9.934 -7.653 1.00 2.43 N ATOM 0 H GLN A 57 -9.084 -12.007 -2.291 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.134 -13.359 -4.039 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -8.183 -12.842 -5.951 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.630 -12.789 -4.964 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -9.906 -10.582 -5.296 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -8.232 -10.226 -4.920 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.344 -9.597 -7.175 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -9.373 -9.737 -8.645 1.00 2.43 H new ATOM 930 N TRP A 58 -5.692 -11.356 -3.936 1.00 0.73 N ATOM 931 CA TRP A 58 -4.776 -10.267 -3.708 1.00 0.63 C ATOM 932 C TRP A 58 -4.751 -9.329 -4.897 1.00 0.67 C ATOM 933 O TRP A 58 -4.588 -9.756 -6.039 1.00 0.76 O ATOM 934 CB TRP A 58 -3.380 -10.805 -3.422 1.00 0.71 C ATOM 935 CG TRP A 58 -3.108 -10.936 -1.963 1.00 0.70 C ATOM 936 CD1 TRP A 58 -2.529 -11.990 -1.326 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.419 -9.977 -0.955 1.00 0.57 C ATOM 938 NE1 TRP A 58 -2.436 -11.730 0.018 1.00 0.84 N ATOM 939 CE2 TRP A 58 -2.979 -10.498 0.272 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.019 -8.720 -0.978 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.123 -9.800 1.467 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.162 -8.032 0.204 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.716 -8.566 1.410 1.00 0.49 C ATOM 0 H TRP A 58 -5.277 -12.164 -4.400 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.118 -9.704 -2.839 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.264 -11.778 -3.899 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.640 -10.141 -3.868 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -2.193 -12.897 -1.807 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.029 -12.353 0.715 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.366 -8.293 -1.908 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -2.781 -10.215 2.403 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.629 -7.058 0.197 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.840 -7.996 2.319 1.00 0.49 H new ATOM 954 N GLN A 59 -4.897 -8.050 -4.621 1.00 0.70 N ATOM 955 CA GLN A 59 -4.861 -7.043 -5.663 1.00 0.79 C ATOM 956 C GLN A 59 -3.727 -6.081 -5.398 1.00 0.95 C ATOM 957 O GLN A 59 -3.810 -5.248 -4.500 1.00 1.64 O ATOM 958 CB GLN A 59 -6.184 -6.300 -5.728 1.00 1.06 C ATOM 959 CG GLN A 59 -7.200 -6.968 -6.636 1.00 1.36 C ATOM 960 CD GLN A 59 -8.622 -6.547 -6.340 1.00 1.68 C ATOM 961 OE1 GLN A 59 -9.422 -6.347 -7.251 1.00 2.39 O ATOM 962 NE2 GLN A 59 -8.949 -6.418 -5.065 1.00 2.14 N ATOM 0 H GLN A 59 -5.042 -7.681 -3.681 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.697 -7.530 -6.624 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -6.600 -6.222 -4.723 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -6.006 -5.283 -6.079 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -6.965 -6.730 -7.673 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -7.118 -8.050 -6.531 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -8.254 -6.594 -4.340 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -9.897 -6.143 -4.807 1.00 2.14 H new ATOM 971 N HIS A 60 -2.616 -6.325 -6.060 1.00 0.80 N ATOM 972 CA HIS A 60 -1.389 -5.592 -5.789 1.00 1.11 C ATOM 973 C HIS A 60 -1.107 -4.534 -6.852 1.00 0.88 C ATOM 974 O HIS A 60 -1.404 -4.720 -8.033 1.00 1.12 O ATOM 975 CB HIS A 60 -0.206 -6.574 -5.665 1.00 1.75 C ATOM 976 CG HIS A 60 0.538 -6.844 -6.946 1.00 1.87 C ATOM 977 ND1 HIS A 60 0.037 -7.627 -7.962 1.00 2.49 N ATOM 978 CD2 HIS A 60 1.757 -6.425 -7.366 1.00 2.11 C ATOM 979 CE1 HIS A 60 0.912 -7.681 -8.947 1.00 2.81 C ATOM 980 NE2 HIS A 60 1.966 -6.961 -8.611 1.00 2.58 N ATOM 0 H HIS A 60 -2.533 -7.028 -6.794 1.00 0.80 H new ATOM 0 HA HIS A 60 -1.517 -5.065 -4.843 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.497 -6.180 -4.931 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -0.579 -7.520 -5.274 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.437 -5.787 -6.821 1.00 2.11 H new ATOM 0 HE1 HIS A 60 0.787 -8.223 -9.873 1.00 2.81 H new ATOM 0 HE2 HIS A 60 2.799 -6.825 -9.183 1.00 2.58 H new ATOM 989 N VAL A 61 -0.456 -3.466 -6.425 1.00 0.60 N ATOM 990 CA VAL A 61 -0.005 -2.414 -7.322 1.00 0.59 C ATOM 991 C VAL A 61 1.419 -2.024 -6.960 1.00 0.51 C ATOM 992 O VAL A 61 1.764 -1.955 -5.779 1.00 0.55 O ATOM 993 CB VAL A 61 -0.905 -1.159 -7.268 1.00 0.87 C ATOM 994 CG1 VAL A 61 -1.851 -1.134 -8.459 1.00 1.32 C ATOM 995 CG2 VAL A 61 -1.682 -1.091 -5.961 1.00 1.48 C ATOM 0 H VAL A 61 -0.224 -3.303 -5.445 1.00 0.60 H new ATOM 0 HA VAL A 61 -0.055 -2.808 -8.337 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.262 -0.280 -7.316 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -2.478 -0.244 -8.407 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -1.273 -1.117 -9.383 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -2.481 -2.023 -8.442 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -2.305 -0.197 -5.954 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.314 -1.974 -5.867 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -0.984 -1.053 -5.124 1.00 1.48 H new ATOM 1005 N GLU A 62 2.253 -1.830 -7.969 1.00 0.81 N ATOM 1006 CA GLU A 62 3.649 -1.487 -7.739 1.00 1.05 C ATOM 1007 C GLU A 62 3.865 0.007 -7.912 1.00 0.71 C ATOM 1008 O GLU A 62 3.613 0.560 -8.985 1.00 0.80 O ATOM 1009 CB GLU A 62 4.578 -2.259 -8.687 1.00 1.61 C ATOM 1010 CG GLU A 62 3.946 -3.476 -9.341 1.00 2.42 C ATOM 1011 CD GLU A 62 4.395 -3.654 -10.778 1.00 3.17 C ATOM 1012 OE1 GLU A 62 5.470 -3.136 -11.142 1.00 3.63 O ATOM 1013 OE2 GLU A 62 3.674 -4.318 -11.552 1.00 3.60 O ATOM 0 H GLU A 62 1.990 -1.904 -8.952 1.00 0.81 H new ATOM 0 HA GLU A 62 3.893 -1.769 -6.715 1.00 1.05 H new ATOM 0 HB2 GLU A 62 4.923 -1.581 -9.468 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.459 -2.579 -8.130 1.00 1.61 H new ATOM 0 HG2 GLU A 62 4.203 -4.368 -8.769 1.00 2.42 H new ATOM 0 HG3 GLU A 62 2.861 -3.380 -9.311 1.00 2.42 H new ATOM 1020 N LEU A 63 4.293 0.660 -6.843 1.00 0.61 N ATOM 1021 CA LEU A 63 4.512 2.098 -6.857 1.00 0.71 C ATOM 1022 C LEU A 63 5.972 2.415 -6.561 1.00 0.75 C ATOM 1023 O LEU A 63 6.375 2.498 -5.403 1.00 0.94 O ATOM 1024 CB LEU A 63 3.605 2.780 -5.831 1.00 0.97 C ATOM 1025 CG LEU A 63 2.123 2.419 -5.935 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.673 1.646 -4.703 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.285 3.672 -6.116 1.00 1.18 C ATOM 0 H LEU A 63 4.497 0.213 -5.949 1.00 0.61 H new ATOM 0 HA LEU A 63 4.268 2.478 -7.849 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.956 2.524 -4.831 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.709 3.860 -5.938 1.00 0.97 H new ATOM 0 HG LEU A 63 1.983 1.781 -6.808 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.616 1.398 -4.795 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.255 0.728 -4.617 1.00 1.33 H new ATOM 0 HD13 LEU A 63 1.826 2.258 -3.814 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.232 3.398 -6.188 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.430 4.333 -5.262 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.590 4.185 -7.028 1.00 1.18 H new ATOM 1039 N SER A 64 6.771 2.533 -7.615 1.00 0.78 N ATOM 1040 CA SER A 64 8.207 2.771 -7.487 1.00 0.89 C ATOM 1041 C SER A 64 8.509 4.118 -6.838 1.00 0.82 C ATOM 1042 O SER A 64 9.582 4.315 -6.268 1.00 1.57 O ATOM 1043 CB SER A 64 8.853 2.694 -8.865 1.00 1.13 C ATOM 1044 OG SER A 64 7.957 2.112 -9.798 1.00 1.36 O ATOM 0 H SER A 64 6.445 2.467 -8.579 1.00 0.78 H new ATOM 0 HA SER A 64 8.622 2.001 -6.836 1.00 0.89 H new ATOM 0 HB2 SER A 64 9.136 3.693 -9.197 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.768 2.104 -8.813 1.00 1.13 H new ATOM 0 HG SER A 64 8.384 2.070 -10.679 1.00 1.36 H new ATOM 1050 N ASN A 65 7.566 5.044 -6.937 1.00 1.03 N ATOM 1051 CA ASN A 65 7.724 6.361 -6.335 1.00 0.94 C ATOM 1052 C ASN A 65 6.364 6.930 -5.967 1.00 0.82 C ATOM 1053 O ASN A 65 6.121 8.130 -6.088 1.00 1.16 O ATOM 1054 CB ASN A 65 8.460 7.310 -7.284 1.00 1.03 C ATOM 1055 CG ASN A 65 9.760 7.820 -6.693 1.00 1.41 C ATOM 1056 OD1 ASN A 65 9.979 9.028 -6.591 1.00 2.04 O ATOM 1057 ND2 ASN A 65 10.628 6.903 -6.293 1.00 1.97 N ATOM 0 H ASN A 65 6.683 4.908 -7.429 1.00 1.03 H new ATOM 0 HA ASN A 65 8.322 6.258 -5.430 1.00 0.94 H new ATOM 0 HB2 ASN A 65 8.667 6.794 -8.222 1.00 1.03 H new ATOM 0 HB3 ASN A 65 7.815 8.156 -7.521 1.00 1.03 H new ATOM 0 HD21 ASN A 65 11.517 7.187 -5.882 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.407 5.913 -6.396 1.00 1.97 H new ATOM 1064 N GLY A 66 5.478 6.055 -5.513 1.00 0.69 N ATOM 1065 CA GLY A 66 4.147 6.475 -5.126 1.00 0.66 C ATOM 1066 C GLY A 66 3.967 6.452 -3.627 1.00 0.61 C ATOM 1067 O GLY A 66 4.494 5.568 -2.951 1.00 0.87 O ATOM 0 H GLY A 66 5.659 5.057 -5.406 1.00 0.69 H new ATOM 0 HA2 GLY A 66 3.960 7.482 -5.499 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.410 5.821 -5.591 1.00 0.66 H new ATOM 1071 N THR A 67 3.283 7.455 -3.100 1.00 0.40 N ATOM 1072 CA THR A 67 3.095 7.574 -1.661 1.00 0.41 C ATOM 1073 C THR A 67 1.649 7.927 -1.316 1.00 0.36 C ATOM 1074 O THR A 67 1.248 7.878 -0.153 1.00 0.39 O ATOM 1075 CB THR A 67 4.038 8.637 -1.075 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.506 9.499 -2.122 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.226 7.983 -0.385 1.00 0.70 C ATOM 0 H THR A 67 2.848 8.199 -3.646 1.00 0.40 H new ATOM 0 HA THR A 67 3.330 6.605 -1.222 1.00 0.41 H new ATOM 0 HB THR A 67 3.485 9.220 -0.338 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.105 10.176 -1.745 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.880 8.754 0.022 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.871 7.344 0.424 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.780 7.381 -1.106 1.00 0.70 H new ATOM 1085 N ALA A 68 0.865 8.266 -2.334 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.540 8.606 -2.150 1.00 0.47 C ATOM 1087 C ALA A 68 -1.386 7.917 -3.212 1.00 0.47 C ATOM 1088 O ALA A 68 -1.711 8.503 -4.246 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.733 10.115 -2.204 1.00 0.59 C ATOM 0 H ALA A 68 1.183 8.312 -3.302 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.862 8.257 -1.169 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.788 10.352 -2.065 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.148 10.585 -1.413 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.402 10.490 -3.172 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.669 6.644 -2.984 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.413 5.841 -3.947 1.00 0.45 C ATOM 1097 C HIS A 69 -3.910 5.885 -3.669 1.00 0.40 C ATOM 1098 O HIS A 69 -4.384 5.330 -2.678 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.921 4.393 -3.935 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.433 3.569 -5.076 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -2.227 3.896 -6.399 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.145 2.417 -5.084 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.790 2.983 -7.169 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.351 2.076 -6.394 1.00 0.75 N ATOM 0 H HIS A 69 -1.395 6.142 -2.139 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.238 6.267 -4.935 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.831 4.390 -3.957 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.222 3.925 -2.998 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.487 1.869 -4.218 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.791 2.980 -8.249 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.857 1.252 -6.718 1.00 0.75 H new ATOM 1113 N THR A 70 -4.650 6.456 -4.596 1.00 0.41 N ATOM 1114 CA THR A 70 -6.098 6.487 -4.509 1.00 0.44 C ATOM 1115 C THR A 70 -6.704 5.322 -5.287 1.00 0.47 C ATOM 1116 O THR A 70 -6.429 5.152 -6.474 1.00 0.72 O ATOM 1117 CB THR A 70 -6.659 7.809 -5.063 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.650 8.828 -5.012 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.876 8.254 -4.272 1.00 0.84 C ATOM 0 H THR A 70 -4.270 6.910 -5.427 1.00 0.41 H new ATOM 0 HA THR A 70 -6.366 6.403 -3.456 1.00 0.44 H new ATOM 0 HB THR A 70 -6.959 7.646 -6.098 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.770 9.367 -4.202 1.00 0.94 H new ATOM 0 HG21 THR A 70 -8.254 9.190 -4.682 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.651 7.490 -4.336 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.598 8.401 -3.228 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.489 4.500 -4.610 1.00 0.36 N ATOM 1128 CA ILE A 71 -8.112 3.347 -5.245 1.00 0.44 C ATOM 1129 C ILE A 71 -9.625 3.465 -5.221 1.00 0.34 C ATOM 1130 O ILE A 71 -10.238 3.393 -4.162 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.727 2.013 -4.569 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.621 2.210 -3.530 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -7.297 1.005 -5.618 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.600 1.136 -2.464 1.00 0.70 C ATOM 0 H ILE A 71 -7.711 4.609 -3.620 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.743 3.340 -6.271 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.605 1.632 -4.047 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.656 2.228 -4.036 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.749 3.182 -3.054 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -7.027 0.067 -5.132 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -8.118 0.831 -6.313 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -6.436 1.392 -6.163 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.792 1.337 -1.761 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -7.552 1.132 -1.932 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.441 0.164 -2.930 1.00 0.70 H new ATOM 1146 N THR A 72 -10.227 3.501 -6.396 1.00 0.37 N ATOM 1147 CA THR A 72 -11.680 3.474 -6.516 1.00 0.33 C ATOM 1148 C THR A 72 -12.144 2.042 -6.765 1.00 0.31 C ATOM 1149 O THR A 72 -13.214 1.791 -7.322 1.00 0.33 O ATOM 1150 CB THR A 72 -12.159 4.383 -7.665 1.00 0.43 C ATOM 1151 OG1 THR A 72 -11.182 5.401 -7.919 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.490 5.033 -7.326 1.00 1.22 C ATOM 0 H THR A 72 -9.732 3.549 -7.287 1.00 0.37 H new ATOM 0 HA THR A 72 -12.110 3.846 -5.586 1.00 0.33 H new ATOM 0 HB THR A 72 -12.290 3.767 -8.555 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.410 5.874 -8.747 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.805 5.669 -8.153 1.00 1.22 H new ATOM 0 HG22 THR A 72 -14.240 4.260 -7.156 1.00 1.22 H new ATOM 0 HG23 THR A 72 -13.381 5.637 -6.425 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.291 1.110 -6.376 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.544 -0.311 -6.564 1.00 0.40 C ATOM 1162 C ASP A 73 -12.149 -0.923 -5.315 1.00 0.39 C ATOM 1163 O ASP A 73 -12.334 -2.135 -5.232 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.243 -1.033 -6.914 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.418 -2.044 -8.027 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.569 -2.252 -8.467 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -9.411 -2.644 -8.461 1.00 1.31 O ATOM 0 H ASP A 73 -10.402 1.316 -5.920 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.253 -0.425 -7.384 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.493 -0.299 -7.210 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.862 -1.538 -6.026 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.287 -0.108 -4.285 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.674 -0.605 -2.980 1.00 0.33 C ATOM 1174 C ALA A 74 -14.181 -0.581 -2.782 1.00 0.35 C ATOM 1175 O ALA A 74 -14.811 0.469 -2.882 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.979 0.201 -1.897 1.00 0.36 C ATOM 0 H ALA A 74 -12.137 0.900 -4.328 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.362 -1.647 -2.913 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.273 -0.176 -0.918 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.899 0.110 -2.012 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.265 1.249 -1.983 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.733 -1.727 -2.415 1.00 0.48 N ATOM 1183 CA TYR A 75 -16.143 -1.821 -2.081 1.00 0.52 C ATOM 1184 C TYR A 75 -16.420 -1.088 -0.772 1.00 0.46 C ATOM 1185 O TYR A 75 -16.003 -1.537 0.293 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.572 -3.284 -1.935 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.623 -4.056 -3.234 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -17.492 -3.692 -4.256 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -15.813 -5.166 -3.429 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -17.545 -4.410 -5.435 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -15.863 -5.889 -4.604 1.00 2.26 C ATOM 1192 CZ TYR A 75 -16.732 -5.508 -5.604 1.00 2.21 C ATOM 1193 OH TYR A 75 -16.787 -6.229 -6.776 1.00 2.86 O ATOM 0 H TYR A 75 -14.223 -2.607 -2.341 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.712 -1.363 -2.890 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.882 -3.785 -1.256 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.557 -3.316 -1.469 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -18.136 -2.835 -4.126 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -15.132 -5.469 -2.648 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -18.222 -4.111 -6.222 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -15.224 -6.749 -4.739 1.00 2.26 H new ATOM 0 HH TYR A 75 -16.149 -6.971 -6.734 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.057 0.070 -0.875 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.366 0.912 0.281 1.00 0.57 C ATOM 1205 C ALA A 76 -18.061 0.141 1.400 1.00 0.50 C ATOM 1206 O ALA A 76 -17.993 0.520 2.568 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.247 2.066 -0.156 1.00 0.74 C ATOM 0 H ALA A 76 -17.377 0.456 -1.763 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.419 1.279 0.677 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.478 2.694 0.705 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.725 2.658 -0.908 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.173 1.677 -0.580 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.802 -0.882 1.021 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.564 -1.653 1.983 1.00 0.55 C ATOM 1215 C GLY A 77 -18.802 -2.845 2.526 1.00 0.48 C ATOM 1216 O GLY A 77 -19.367 -3.674 3.239 1.00 0.58 O ATOM 0 H GLY A 77 -18.892 -1.198 0.055 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.853 -1.006 2.811 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.484 -2.001 1.514 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.537 -2.968 2.153 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.738 -4.107 2.573 1.00 0.49 C ATOM 1222 C LYS A 78 -15.375 -3.667 3.087 1.00 0.43 C ATOM 1223 O LYS A 78 -14.735 -2.791 2.512 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.565 -5.086 1.411 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.120 -6.469 1.697 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.641 -6.477 1.669 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.211 -7.291 2.819 1.00 1.93 C ATOM 1228 NZ LYS A 78 -19.495 -6.451 4.013 1.00 2.32 N ATOM 0 H LYS A 78 -17.045 -2.297 1.564 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.264 -4.603 3.388 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.059 -4.680 0.528 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.505 -5.171 1.173 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -16.738 -7.175 0.960 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -16.771 -6.807 2.673 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -19.013 -5.454 1.725 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.987 -6.890 0.722 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -20.129 -7.782 2.495 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -18.507 -8.078 3.089 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -18.787 -6.645 4.750 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -19.453 -5.446 3.748 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -20.444 -6.674 4.377 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.931 -4.303 4.158 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.629 -4.010 4.734 1.00 0.43 C ATOM 1244 C GLU A 79 -12.521 -4.570 3.851 1.00 0.37 C ATOM 1245 O GLU A 79 -12.666 -5.637 3.255 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.527 -4.598 6.140 1.00 0.59 C ATOM 1247 CG GLU A 79 -12.252 -4.211 6.869 1.00 1.13 C ATOM 1248 CD GLU A 79 -12.517 -3.339 8.076 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -13.521 -3.576 8.776 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -11.723 -2.406 8.325 1.00 2.05 O ATOM 0 H GLU A 79 -15.455 -5.028 4.648 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.514 -2.928 4.797 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -14.385 -4.268 6.726 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -13.583 -5.685 6.076 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -11.730 -5.114 7.185 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -11.590 -3.684 6.182 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.429 -3.833 3.749 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.304 -4.253 2.938 1.00 0.38 C ATOM 1259 C TYR A 80 -9.059 -4.401 3.795 1.00 0.41 C ATOM 1260 O TYR A 80 -8.739 -3.515 4.592 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.031 -3.234 1.832 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.811 -3.476 0.562 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.198 -3.432 0.559 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.160 -3.741 -0.634 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.914 -3.645 -0.599 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.869 -3.953 -1.799 1.00 0.64 C ATOM 1267 CZ TYR A 80 -12.246 -3.905 -1.774 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.959 -4.111 -2.928 1.00 0.85 O ATOM 0 H TYR A 80 -11.299 -2.938 4.220 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.553 -5.215 2.490 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.266 -2.237 2.205 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -8.966 -3.244 1.599 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.725 -3.227 1.479 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.081 -3.782 -0.654 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.993 -3.608 -0.585 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -10.348 -4.155 -2.723 1.00 0.64 H new ATOM 0 HH TYR A 80 -13.889 -4.323 -2.704 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.305 -5.457 3.549 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.012 -5.615 4.185 1.00 0.33 C ATOM 1280 C ILE A 81 -5.919 -5.248 3.186 1.00 0.29 C ATOM 1281 O ILE A 81 -5.757 -5.900 2.151 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.800 -7.045 4.747 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.382 -7.202 5.299 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.087 -8.109 3.700 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.192 -6.566 6.657 1.00 1.11 C ATOM 0 H ILE A 81 -8.565 -6.214 2.917 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.966 -4.944 5.043 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.510 -7.186 5.562 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -5.142 -8.263 5.366 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.676 -6.759 4.597 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.927 -9.097 4.132 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.121 -8.022 3.366 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.419 -7.972 2.850 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.164 -6.715 6.988 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.401 -5.498 6.591 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.874 -7.025 7.373 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.322 -4.091 3.405 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.372 -3.526 2.466 1.00 0.30 C ATOM 1299 C ILE A 82 -2.956 -3.618 3.014 1.00 0.32 C ATOM 1300 O ILE A 82 -2.539 -2.797 3.827 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.697 -2.048 2.143 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -6.209 -1.794 2.231 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -4.175 -1.691 0.762 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.621 -0.395 1.819 1.00 0.64 C ATOM 0 H ILE A 82 -5.481 -3.519 4.235 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.448 -4.107 1.547 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.204 -1.413 2.879 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.726 -2.516 1.599 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.539 -1.973 3.254 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -4.408 -0.649 0.543 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -3.095 -1.835 0.733 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -4.647 -2.332 0.018 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.703 -0.293 1.908 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.133 0.334 2.467 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -6.324 -0.218 0.785 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.220 -4.622 2.568 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.853 -4.807 3.019 1.00 0.34 C ATOM 1318 C GLN A 83 0.117 -4.060 2.120 1.00 0.29 C ATOM 1319 O GLN A 83 0.056 -4.170 0.894 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.479 -6.286 3.068 1.00 0.44 C ATOM 1321 CG GLN A 83 0.614 -6.592 4.076 1.00 0.60 C ATOM 1322 CD GLN A 83 0.196 -7.637 5.090 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.591 -8.533 4.789 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.727 -7.534 6.298 1.00 0.64 N ATOM 0 H GLN A 83 -2.545 -5.318 1.897 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.785 -4.401 4.028 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.365 -6.871 3.314 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.152 -6.605 2.078 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.503 -6.938 3.549 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.889 -5.675 4.597 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.376 -6.775 6.507 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.487 -8.213 7.020 1.00 0.64 H new ATOM 1333 N VAL A 84 0.991 -3.292 2.743 1.00 0.28 N ATOM 1334 CA VAL A 84 1.982 -2.512 2.028 1.00 0.28 C ATOM 1335 C VAL A 84 3.376 -3.090 2.253 1.00 0.28 C ATOM 1336 O VAL A 84 3.842 -3.188 3.390 1.00 0.32 O ATOM 1337 CB VAL A 84 1.968 -1.037 2.482 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.802 -0.178 1.543 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.540 -0.512 2.564 1.00 0.51 C ATOM 0 H VAL A 84 1.034 -3.192 3.757 1.00 0.28 H new ATOM 0 HA VAL A 84 1.731 -2.556 0.968 1.00 0.28 H new ATOM 0 HB VAL A 84 2.409 -0.983 3.477 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.779 0.858 1.881 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.832 -0.536 1.540 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.394 -0.240 0.534 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.553 0.529 2.886 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.069 -0.583 1.583 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -0.026 -1.106 3.282 1.00 0.51 H new ATOM 1349 N ALA A 85 4.031 -3.468 1.163 1.00 0.31 N ATOM 1350 CA ALA A 85 5.387 -3.997 1.223 1.00 0.36 C ATOM 1351 C ALA A 85 6.347 -3.058 0.504 1.00 0.30 C ATOM 1352 O ALA A 85 5.920 -2.048 -0.058 1.00 0.37 O ATOM 1353 CB ALA A 85 5.444 -5.388 0.611 1.00 0.49 C ATOM 0 H ALA A 85 3.642 -3.417 0.221 1.00 0.31 H new ATOM 0 HA ALA A 85 5.687 -4.071 2.268 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.464 -5.767 0.664 1.00 0.49 H new ATOM 0 HB2 ALA A 85 4.780 -6.055 1.161 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.129 -5.340 -0.431 1.00 0.49 H new ATOM 1359 N ALA A 86 7.636 -3.377 0.530 1.00 0.35 N ATOM 1360 CA ALA A 86 8.635 -2.516 -0.085 1.00 0.45 C ATOM 1361 C ALA A 86 9.768 -3.317 -0.718 1.00 0.40 C ATOM 1362 O ALA A 86 10.146 -4.382 -0.224 1.00 0.55 O ATOM 1363 CB ALA A 86 9.193 -1.553 0.954 1.00 0.70 C ATOM 0 H ALA A 86 8.010 -4.219 0.967 1.00 0.35 H new ATOM 0 HA ALA A 86 8.146 -1.956 -0.882 1.00 0.45 H new ATOM 0 HB1 ALA A 86 9.941 -0.910 0.490 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.385 -0.940 1.353 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.654 -2.119 1.764 1.00 0.70 H new ATOM 1369 N LYS A 87 10.326 -2.767 -1.787 1.00 0.46 N ATOM 1370 CA LYS A 87 11.470 -3.348 -2.473 1.00 0.49 C ATOM 1371 C LYS A 87 12.036 -2.316 -3.438 1.00 0.61 C ATOM 1372 O LYS A 87 11.282 -1.649 -4.141 1.00 0.80 O ATOM 1373 CB LYS A 87 11.070 -4.624 -3.229 1.00 0.62 C ATOM 1374 CG LYS A 87 12.115 -5.120 -4.219 1.00 0.69 C ATOM 1375 CD LYS A 87 11.553 -5.198 -5.630 1.00 0.91 C ATOM 1376 CE LYS A 87 12.513 -5.901 -6.580 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.183 -4.946 -7.499 1.00 1.33 N ATOM 0 H LYS A 87 9.994 -1.898 -2.206 1.00 0.46 H new ATOM 0 HA LYS A 87 12.227 -3.625 -1.739 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.869 -5.413 -2.505 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.139 -4.438 -3.764 1.00 0.62 H new ATOM 0 HG2 LYS A 87 12.976 -4.452 -4.206 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.470 -6.104 -3.913 1.00 0.69 H new ATOM 0 HD2 LYS A 87 10.602 -5.730 -5.614 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.349 -4.192 -5.997 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.266 -6.438 -6.003 1.00 1.08 H new ATOM 0 HE3 LYS A 87 11.968 -6.644 -7.163 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 13.840 -5.463 -8.118 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 12.468 -4.463 -8.080 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.711 -4.242 -6.944 1.00 1.33 H new ATOM 1391 N ASP A 88 13.347 -2.150 -3.440 1.00 0.67 N ATOM 1392 CA ASP A 88 13.985 -1.179 -4.324 1.00 0.81 C ATOM 1393 C ASP A 88 13.775 -1.583 -5.782 1.00 0.90 C ATOM 1394 O ASP A 88 13.739 -2.767 -6.105 1.00 1.00 O ATOM 1395 CB ASP A 88 15.478 -1.070 -4.001 1.00 0.96 C ATOM 1396 CG ASP A 88 16.258 -0.308 -5.054 1.00 1.22 C ATOM 1397 OD1 ASP A 88 15.735 0.699 -5.567 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.393 -0.707 -5.377 1.00 1.42 O ATOM 0 H ASP A 88 13.991 -2.670 -2.844 1.00 0.67 H new ATOM 0 HA ASP A 88 13.529 -0.202 -4.167 1.00 0.81 H new ATOM 0 HB2 ASP A 88 15.600 -0.575 -3.037 1.00 0.96 H new ATOM 0 HB3 ASP A 88 15.896 -2.071 -3.901 1.00 0.96 H new ATOM 1403 N ASN A 89 13.556 -0.606 -6.646 1.00 1.00 N ATOM 1404 CA ASN A 89 13.291 -0.878 -8.053 1.00 1.17 C ATOM 1405 C ASN A 89 14.544 -1.402 -8.749 1.00 1.27 C ATOM 1406 O ASN A 89 14.460 -2.142 -9.732 1.00 1.46 O ATOM 1407 CB ASN A 89 12.787 0.383 -8.757 1.00 1.30 C ATOM 1408 CG ASN A 89 11.797 0.076 -9.867 1.00 1.53 C ATOM 1409 OD1 ASN A 89 11.402 -1.074 -10.070 1.00 1.91 O ATOM 1410 ND2 ASN A 89 11.379 1.101 -10.593 1.00 1.75 N ATOM 0 H ASN A 89 13.556 0.384 -6.400 1.00 1.00 H new ATOM 0 HA ASN A 89 12.518 -1.644 -8.109 1.00 1.17 H new ATOM 0 HB2 ASN A 89 12.315 1.039 -8.026 1.00 1.30 H new ATOM 0 HB3 ASN A 89 13.636 0.927 -9.172 1.00 1.30 H new ATOM 0 HD21 ASN A 89 10.709 0.952 -11.348 1.00 1.75 H new ATOM 0 HD22 ASN A 89 11.727 2.040 -10.398 1.00 1.75 H new ATOM 1417 N GLU A 90 15.702 -1.057 -8.206 1.00 1.29 N ATOM 1418 CA GLU A 90 16.969 -1.517 -8.750 1.00 1.46 C ATOM 1419 C GLU A 90 17.353 -2.872 -8.157 1.00 1.44 C ATOM 1420 O GLU A 90 17.431 -3.877 -8.868 1.00 1.57 O ATOM 1421 CB GLU A 90 18.068 -0.493 -8.468 1.00 1.60 C ATOM 1422 CG GLU A 90 18.392 0.398 -9.654 1.00 1.82 C ATOM 1423 CD GLU A 90 18.872 -0.388 -10.852 1.00 1.96 C ATOM 1424 OE1 GLU A 90 19.609 -1.375 -10.665 1.00 2.17 O ATOM 1425 OE2 GLU A 90 18.513 -0.021 -11.988 1.00 2.26 O ATOM 0 H GLU A 90 15.789 -0.457 -7.386 1.00 1.29 H new ATOM 0 HA GLU A 90 16.857 -1.631 -9.828 1.00 1.46 H new ATOM 0 HB2 GLU A 90 17.763 0.132 -7.628 1.00 1.60 H new ATOM 0 HB3 GLU A 90 18.972 -1.019 -8.162 1.00 1.60 H new ATOM 0 HG2 GLU A 90 17.505 0.969 -9.929 1.00 1.82 H new ATOM 0 HG3 GLU A 90 19.157 1.118 -9.365 1.00 1.82 H new ATOM 1432 N ILE A 91 17.579 -2.894 -6.852 1.00 1.38 N ATOM 1433 CA ILE A 91 17.966 -4.106 -6.151 1.00 1.45 C ATOM 1434 C ILE A 91 16.735 -4.880 -5.710 1.00 1.48 C ATOM 1435 O ILE A 91 15.775 -4.304 -5.202 1.00 1.79 O ATOM 1436 CB ILE A 91 18.845 -3.789 -4.916 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.036 -2.910 -5.314 1.00 2.02 C ATOM 1438 CG2 ILE A 91 19.329 -5.070 -4.250 1.00 1.69 C ATOM 1439 CD1 ILE A 91 20.798 -3.421 -6.520 1.00 2.51 C ATOM 0 H ILE A 91 17.499 -2.073 -6.252 1.00 1.38 H new ATOM 0 HA ILE A 91 18.549 -4.713 -6.844 1.00 1.45 H new ATOM 0 HB ILE A 91 18.234 -3.242 -4.198 1.00 1.63 H new ATOM 0 HG12 ILE A 91 19.678 -1.902 -5.523 1.00 2.02 H new ATOM 0 HG13 ILE A 91 20.720 -2.836 -4.468 1.00 2.02 H new ATOM 0 HG21 ILE A 91 19.944 -4.821 -3.385 1.00 1.69 H new ATOM 0 HG22 ILE A 91 18.471 -5.659 -3.927 1.00 1.69 H new ATOM 0 HG23 ILE A 91 19.919 -5.649 -4.960 1.00 1.69 H new ATOM 0 HD11 ILE A 91 21.626 -2.747 -6.740 1.00 2.51 H new ATOM 0 HD12 ILE A 91 21.188 -4.417 -6.309 1.00 2.51 H new ATOM 0 HD13 ILE A 91 20.130 -3.468 -7.380 1.00 2.51 H new ATOM 1451 N GLY A 92 16.751 -6.181 -5.932 1.00 1.53 N ATOM 1452 CA GLY A 92 15.614 -7.003 -5.586 1.00 1.75 C ATOM 1453 C GLY A 92 15.565 -7.352 -4.112 1.00 1.30 C ATOM 1454 O GLY A 92 15.483 -8.524 -3.743 1.00 1.27 O ATOM 0 H GLY A 92 17.534 -6.686 -6.347 1.00 1.53 H new ATOM 0 HA2 GLY A 92 14.698 -6.481 -5.861 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.645 -7.922 -6.171 1.00 1.75 H new ATOM 1458 N THR A 93 15.597 -6.336 -3.266 1.00 1.16 N ATOM 1459 CA THR A 93 15.533 -6.538 -1.832 1.00 0.92 C ATOM 1460 C THR A 93 14.081 -6.590 -1.367 1.00 0.81 C ATOM 1461 O THR A 93 13.541 -5.611 -0.848 1.00 0.82 O ATOM 1462 CB THR A 93 16.290 -5.427 -1.091 1.00 1.19 C ATOM 1463 OG1 THR A 93 16.371 -4.254 -1.916 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.690 -5.896 -0.728 1.00 1.62 C ATOM 0 H THR A 93 15.667 -5.359 -3.551 1.00 1.16 H new ATOM 0 HA THR A 93 16.009 -7.491 -1.600 1.00 0.92 H new ATOM 0 HB THR A 93 15.749 -5.186 -0.176 1.00 1.19 H new ATOM 0 HG1 THR A 93 16.702 -3.501 -1.383 1.00 1.75 H new ATOM 0 HG21 THR A 93 18.216 -5.099 -0.203 1.00 1.62 H new ATOM 0 HG22 THR A 93 17.624 -6.773 -0.084 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.235 -6.153 -1.637 1.00 1.62 H new ATOM 1472 N TRP A 94 13.432 -7.706 -1.665 1.00 0.78 N ATOM 1473 CA TRP A 94 12.018 -7.881 -1.379 1.00 0.75 C ATOM 1474 C TRP A 94 11.760 -8.005 0.117 1.00 0.74 C ATOM 1475 O TRP A 94 12.245 -8.933 0.766 1.00 0.89 O ATOM 1476 CB TRP A 94 11.498 -9.126 -2.095 1.00 0.82 C ATOM 1477 CG TRP A 94 10.608 -8.812 -3.259 1.00 0.84 C ATOM 1478 CD1 TRP A 94 10.979 -8.697 -4.566 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.199 -8.570 -3.218 1.00 1.04 C ATOM 1480 NE1 TRP A 94 9.885 -8.402 -5.341 1.00 1.13 N ATOM 1481 CE2 TRP A 94 8.781 -8.318 -4.538 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.251 -8.543 -2.193 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.454 -8.044 -4.857 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 6.938 -8.270 -2.511 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.548 -8.024 -3.833 1.00 1.63 C ATOM 0 H TRP A 94 13.870 -8.512 -2.110 1.00 0.78 H new ATOM 0 HA TRP A 94 11.491 -6.998 -1.739 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.345 -9.717 -2.443 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.950 -9.743 -1.384 1.00 0.82 H new ATOM 0 HD1 TRP A 94 11.986 -8.820 -4.937 1.00 0.93 H new ATOM 0 HE1 TRP A 94 9.894 -8.267 -6.352 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.541 -8.733 -1.170 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.151 -7.854 -5.876 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.196 -8.245 -1.726 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.511 -7.814 -4.048 1.00 1.63 H new ATOM 1496 N SER A 95 10.947 -7.101 0.643 1.00 0.65 N ATOM 1497 CA SER A 95 10.534 -7.165 2.035 1.00 0.65 C ATOM 1498 C SER A 95 9.237 -7.961 2.164 1.00 0.63 C ATOM 1499 O SER A 95 8.518 -8.153 1.180 1.00 0.72 O ATOM 1500 CB SER A 95 10.361 -5.755 2.602 1.00 0.68 C ATOM 1501 OG SER A 95 11.367 -4.886 2.105 1.00 0.94 O ATOM 0 H SER A 95 10.560 -6.313 0.124 1.00 0.65 H new ATOM 0 HA SER A 95 11.309 -7.673 2.609 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.377 -5.369 2.336 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.407 -5.787 3.691 1.00 0.68 H new ATOM 0 HG SER A 95 11.084 -4.517 1.242 1.00 0.94 H new ATOM 1507 N ASP A 96 8.960 -8.444 3.365 1.00 0.69 N ATOM 1508 CA ASP A 96 7.770 -9.250 3.622 1.00 0.74 C ATOM 1509 C ASP A 96 6.533 -8.360 3.740 1.00 0.63 C ATOM 1510 O ASP A 96 6.651 -7.143 3.904 1.00 0.53 O ATOM 1511 CB ASP A 96 7.974 -10.068 4.907 1.00 0.94 C ATOM 1512 CG ASP A 96 6.772 -10.913 5.287 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.205 -11.578 4.393 1.00 1.57 O ATOM 1514 OD2 ASP A 96 6.392 -10.926 6.480 1.00 1.94 O ATOM 0 H ASP A 96 9.547 -8.292 4.185 1.00 0.69 H new ATOM 0 HA ASP A 96 7.613 -9.932 2.787 1.00 0.74 H new ATOM 0 HB2 ASP A 96 8.839 -10.719 4.780 1.00 0.94 H new ATOM 0 HB3 ASP A 96 8.204 -9.388 5.728 1.00 0.94 H new ATOM 1519 N TRP A 97 5.353 -8.977 3.674 1.00 0.76 N ATOM 1520 CA TRP A 97 4.086 -8.264 3.818 1.00 0.73 C ATOM 1521 C TRP A 97 4.018 -7.588 5.184 1.00 0.60 C ATOM 1522 O TRP A 97 3.839 -8.249 6.205 1.00 0.76 O ATOM 1523 CB TRP A 97 2.908 -9.232 3.655 1.00 0.99 C ATOM 1524 CG TRP A 97 2.956 -10.053 2.401 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.676 -11.383 2.290 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.294 -9.602 1.082 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.823 -11.791 0.988 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.201 -10.716 0.227 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.668 -8.371 0.540 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.465 -10.631 -1.137 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.930 -8.288 -0.814 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.828 -9.413 -1.638 1.00 1.26 C ATOM 0 H TRP A 97 5.250 -9.980 3.520 1.00 0.76 H new ATOM 0 HA TRP A 97 4.025 -7.503 3.040 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.882 -9.902 4.514 1.00 0.99 H new ATOM 0 HB3 TRP A 97 1.979 -8.662 3.667 1.00 0.99 H new ATOM 0 HD1 TRP A 97 2.381 -12.023 3.109 1.00 2.12 H new ATOM 0 HE1 TRP A 97 2.675 -12.739 0.643 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.751 -7.497 1.169 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.386 -11.497 -1.777 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 4.218 -7.339 -1.243 1.00 1.38 H new ATOM 0 HH2 TRP A 97 4.041 -9.317 -2.693 1.00 1.26 H new ATOM 1543 N SER A 98 4.330 -6.304 5.210 1.00 0.41 N ATOM 1544 CA SER A 98 4.492 -5.591 6.460 1.00 0.42 C ATOM 1545 C SER A 98 3.193 -4.941 6.931 1.00 0.38 C ATOM 1546 O SER A 98 2.480 -5.496 7.769 1.00 0.46 O ATOM 1547 CB SER A 98 5.597 -4.545 6.306 1.00 0.51 C ATOM 1548 OG SER A 98 6.189 -4.626 5.016 1.00 0.50 O ATOM 0 H SER A 98 4.476 -5.735 4.376 1.00 0.41 H new ATOM 0 HA SER A 98 4.773 -6.313 7.227 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.185 -3.548 6.461 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.358 -4.697 7.071 1.00 0.51 H new ATOM 0 HG SER A 98 6.421 -5.558 4.821 1.00 0.50 H new ATOM 1554 N VAL A 99 2.933 -3.731 6.450 1.00 0.33 N ATOM 1555 CA VAL A 99 1.812 -2.938 6.935 1.00 0.34 C ATOM 1556 C VAL A 99 0.481 -3.463 6.427 1.00 0.32 C ATOM 1557 O VAL A 99 0.085 -3.181 5.303 1.00 0.34 O ATOM 1558 CB VAL A 99 1.949 -1.460 6.530 1.00 0.42 C ATOM 1559 CG1 VAL A 99 0.999 -0.596 7.344 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.383 -0.990 6.698 1.00 1.32 C ATOM 0 H VAL A 99 3.486 -3.277 5.722 1.00 0.33 H new ATOM 0 HA VAL A 99 1.833 -3.020 8.022 1.00 0.34 H new ATOM 0 HB VAL A 99 1.682 -1.364 5.478 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.109 0.446 7.045 1.00 1.21 H new ATOM 0 HG12 VAL A 99 -0.027 -0.918 7.168 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.234 -0.696 8.404 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.459 0.058 6.406 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.682 -1.099 7.741 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.039 -1.591 6.068 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.244 -4.140 7.300 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.586 -4.605 6.985 1.00 0.41 C ATOM 1572 C ALA A 100 -2.614 -3.550 7.390 1.00 0.43 C ATOM 1573 O ALA A 100 -3.176 -3.603 8.487 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.868 -5.926 7.685 1.00 0.50 C ATOM 0 H ALA A 100 0.075 -4.382 8.238 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.659 -4.767 5.910 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.876 -6.260 7.439 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.147 -6.674 7.355 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.783 -5.792 8.763 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.805 -2.561 6.532 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.714 -1.459 6.817 1.00 0.36 C ATOM 1582 C ALA A 101 -5.163 -1.875 6.590 1.00 0.41 C ATOM 1583 O ALA A 101 -5.484 -2.551 5.613 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.365 -0.249 5.959 1.00 0.42 C ATOM 0 H ALA A 101 -2.340 -2.498 5.626 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.601 -1.187 7.866 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.053 0.566 6.183 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.344 0.068 6.174 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.448 -0.514 4.905 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.035 -1.478 7.500 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.451 -1.796 7.388 1.00 0.57 C ATOM 1592 C HIS A 102 -8.232 -0.567 6.951 1.00 0.50 C ATOM 1593 O HIS A 102 -8.038 0.521 7.499 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.992 -2.309 8.720 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.532 -3.703 8.650 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -9.476 -4.188 9.527 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -8.249 -4.723 7.806 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -9.749 -5.442 9.228 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -9.020 -5.794 8.187 1.00 2.00 N ATOM 0 H HIS A 102 -5.789 -0.934 8.327 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.570 -2.578 6.638 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.196 -2.273 9.464 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.780 -1.640 9.065 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -7.547 -4.699 6.985 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -10.452 -6.075 9.748 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -9.027 -6.710 7.739 1.00 2.00 H new ATOM 1608 N ALA A 103 -9.052 -0.716 5.917 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.782 0.420 5.376 1.00 0.54 C ATOM 1610 C ALA A 103 -11.125 0.014 4.778 1.00 0.36 C ATOM 1611 O ALA A 103 -11.358 -1.151 4.453 1.00 0.35 O ATOM 1612 CB ALA A 103 -8.937 1.127 4.330 1.00 0.91 C ATOM 0 H ALA A 103 -9.226 -1.602 5.442 1.00 0.38 H new ATOM 0 HA ALA A 103 -9.989 1.099 6.203 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.490 1.977 3.929 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.012 1.479 4.787 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.702 0.433 3.523 1.00 0.91 H new ATOM 1618 N THR A 104 -12.001 1.001 4.655 1.00 0.41 N ATOM 1619 CA THR A 104 -13.336 0.840 4.088 1.00 0.38 C ATOM 1620 C THR A 104 -13.807 2.201 3.580 1.00 0.41 C ATOM 1621 O THR A 104 -13.893 3.152 4.357 1.00 0.51 O ATOM 1622 CB THR A 104 -14.340 0.315 5.140 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.722 -0.692 5.955 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.576 -0.265 4.472 1.00 0.70 C ATOM 0 H THR A 104 -11.801 1.956 4.952 1.00 0.41 H new ATOM 0 HA THR A 104 -13.289 0.112 3.278 1.00 0.38 H new ATOM 0 HB THR A 104 -14.642 1.156 5.764 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.366 -1.016 6.619 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.266 -0.627 5.235 1.00 0.70 H new ATOM 0 HG22 THR A 104 -16.065 0.507 3.878 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.285 -1.092 3.824 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.989 2.364 2.260 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.349 3.662 1.698 1.00 0.38 C ATOM 1634 C PRO A 105 -15.767 4.076 2.091 1.00 0.40 C ATOM 1635 O PRO A 105 -16.466 3.323 2.775 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.203 3.481 0.186 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.186 2.009 -0.065 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.790 1.332 1.226 1.00 0.40 C ATOM 0 HA PRO A 105 -13.713 4.463 2.074 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.030 3.955 -0.343 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.285 3.947 -0.174 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.167 1.665 -0.393 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.480 1.764 -0.859 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.406 0.453 1.419 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.754 0.995 1.196 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.132 5.322 1.790 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.412 5.859 2.234 1.00 0.41 C ATOM 1648 C TRP A 106 -18.568 5.011 1.720 1.00 0.48 C ATOM 1649 O TRP A 106 -18.903 5.040 0.538 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.598 7.319 1.793 1.00 0.51 C ATOM 1651 CG TRP A 106 -19.018 7.793 1.932 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.843 7.602 3.003 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.783 8.520 0.963 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -21.080 8.139 2.749 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -21.067 8.714 1.507 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.511 9.020 -0.311 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.073 9.381 0.820 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.509 9.689 -0.991 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.778 9.862 -0.426 1.00 1.07 C ATOM 0 H TRP A 106 -15.564 5.971 1.246 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.410 5.830 3.324 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.946 7.959 2.387 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.285 7.423 0.754 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.563 7.101 3.918 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.879 8.114 3.383 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -18.537 8.886 -0.757 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -23.053 9.515 1.254 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.307 10.085 -1.975 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.539 10.386 -0.985 1.00 1.07 H new ATOM 1670 N THR A 107 -19.224 4.328 2.641 1.00 0.60 N ATOM 1671 CA THR A 107 -20.406 3.559 2.326 1.00 0.75 C ATOM 1672 C THR A 107 -21.583 4.492 2.089 1.00 0.82 C ATOM 1673 O THR A 107 -22.180 5.008 3.038 1.00 0.89 O ATOM 1674 CB THR A 107 -20.736 2.576 3.461 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.524 2.175 4.124 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.461 1.351 2.927 1.00 1.19 C ATOM 0 H THR A 107 -18.951 4.293 3.623 1.00 0.60 H new ATOM 0 HA THR A 107 -20.213 2.985 1.419 1.00 0.75 H new ATOM 0 HB THR A 107 -21.392 3.079 4.172 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.009 1.585 3.535 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.683 0.672 3.750 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.391 1.658 2.449 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.829 0.843 2.198 1.00 1.19 H new ATOM 1684 N GLU A 108 -21.825 4.787 0.819 1.00 1.03 N ATOM 1685 CA GLU A 108 -22.866 5.719 0.409 1.00 1.27 C ATOM 1686 C GLU A 108 -24.194 5.368 1.061 1.00 1.32 C ATOM 1687 O GLU A 108 -24.745 6.147 1.841 1.00 1.87 O ATOM 1688 CB GLU A 108 -23.005 5.685 -1.111 1.00 1.77 C ATOM 1689 CG GLU A 108 -23.105 7.060 -1.749 1.00 2.11 C ATOM 1690 CD GLU A 108 -24.521 7.441 -2.123 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -25.463 6.826 -1.584 1.00 3.11 O ATOM 1692 OE2 GLU A 108 -24.704 8.353 -2.951 1.00 3.25 O ATOM 0 H GLU A 108 -21.302 4.385 0.041 1.00 1.03 H new ATOM 0 HA GLU A 108 -22.586 6.722 0.729 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -22.148 5.160 -1.533 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -23.892 5.108 -1.372 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -22.705 7.804 -1.059 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -22.481 7.086 -2.642 1.00 2.11 H new ATOM 1699 N GLU A 109 -24.657 4.165 0.789 1.00 1.51 N ATOM 1700 CA GLU A 109 -25.891 3.667 1.364 1.00 1.77 C ATOM 1701 C GLU A 109 -25.926 2.149 1.280 1.00 2.52 C ATOM 1702 O GLU A 109 -26.779 1.528 1.944 1.00 3.20 O ATOM 1703 CB GLU A 109 -27.090 4.263 0.629 1.00 2.25 C ATOM 1704 CG GLU A 109 -28.035 5.024 1.537 1.00 2.64 C ATOM 1705 CD GLU A 109 -29.436 4.462 1.499 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -30.178 4.765 0.543 1.00 4.37 O ATOM 1707 OE2 GLU A 109 -29.810 3.719 2.432 1.00 3.99 O ATOM 1708 OXT GLU A 109 -25.099 1.581 0.540 1.00 2.99 O ATOM 0 H GLU A 109 -24.191 3.506 0.165 1.00 1.51 H new ATOM 0 HA GLU A 109 -25.940 3.964 2.412 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -26.731 4.932 -0.153 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -27.639 3.461 0.135 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -27.659 4.991 2.560 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -28.057 6.072 1.239 1.00 2.64 H new TER 1715 GLU A 109