USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 832 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 67 TYR OH : rot -170:sc= 1.42 USER MOD Set 1.2: A 80 MET CE :methyl 169:sc= -0.576 (180deg=-0.768) USER MOD Set 2.1: A 70 ASN : amide:sc= -0.897 K(o=-2.2,f=-2.9) USER MOD Set 2.2: A 72 LYS NZ :NH3+ -179:sc= -0.655 (180deg=-0.622) USER MOD Set 2.3: A 73 LYS NZ :NH3+ -151:sc= -0.651 (180deg=-0.151) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.119 USER MOD Set 3.2: A 31 ASN : amide:sc= -3.4! C(o=-3.3!,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ 154:sc= 0.679 (180deg=0.201) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.0197 (180deg=-0.433) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -151:sc= -0.479 (180deg=-2.19!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 129:sc= 0.363 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.32) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -5.57! C(o=-5.6!,f=-7.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.174) USER MOD Single : A 26 HIS : no HD1:sc= -3.95 X(o=-3.9,f=-4.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -6.46! C(o=-6.5!,f=-4.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 120:sc= -1.1 USER MOD Single : A 42 GLN : amide:sc= -0.768 X(o=-0.77,f=-0.62) USER MOD Single : A 46 TYR OH : rot 15:sc= -0.255 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 52 ASN : amide:sc= -8.53! C(o=-8.5!,f=-15!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.15) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -155:sc= -0.0197 USER MOD Single : A 65 MET CE :methyl -126:sc= -3.27 (180deg=-9.35!) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 79 LYS NZ :NH3+ -146:sc= -0.455 (180deg=-1.76!) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0101) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= -0.667 (180deg=-1.05) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0298) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -111:sc= -3.33! (180deg=-6.86!) USER MOD Single : A 100 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0214) USER MOD Single : A 102 THR OG1 : rot 6:sc= -0.621! USER MOD Single : A 103 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.979 0.194 0.082 1.00 73.12 N ATOM 2 CA GLY A 1 1.680 0.028 -1.181 1.00 23.12 C ATOM 3 C GLY A 1 1.760 -1.449 -1.573 1.00 15.10 C ATOM 4 O GLY A 1 2.768 -2.107 -1.324 1.00 23.01 O ATOM 0 H1 GLY A 1 1.298 1.070 0.543 1.00 73.12 H new ATOM 0 H2 GLY A 1 -0.045 0.248 -0.094 1.00 73.12 H new ATOM 0 H3 GLY A 1 1.182 -0.617 0.701 1.00 73.12 H new ATOM 0 HA2 GLY A 1 1.167 0.588 -1.962 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.685 0.442 -1.100 1.00 23.12 H new ATOM 8 N ASP A 2 0.683 -1.925 -2.180 1.00 31.34 N ATOM 9 CA ASP A 2 0.619 -3.311 -2.610 1.00 62.51 C ATOM 10 C ASP A 2 1.215 -3.434 -4.014 1.00 14.32 C ATOM 11 O ASP A 2 0.690 -2.861 -4.968 1.00 25.10 O ATOM 12 CB ASP A 2 -0.829 -3.804 -2.667 1.00 74.02 C ATOM 13 CG ASP A 2 -1.005 -5.315 -2.510 1.00 73.22 C ATOM 14 OD1 ASP A 2 -1.966 -5.785 -1.882 1.00 54.32 O ATOM 15 OD2 ASP A 2 -0.091 -6.032 -3.073 1.00 63.02 O1- ATOM 0 H ASP A 2 -0.152 -1.376 -2.384 1.00 31.34 H new ATOM 0 HA ASP A 2 1.177 -3.912 -1.892 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -1.398 -3.304 -1.883 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -1.263 -3.500 -3.620 1.00 74.02 H new ATOM 21 N VAL A 3 2.304 -4.186 -4.096 1.00 32.11 N ATOM 22 CA VAL A 3 2.976 -4.391 -5.367 1.00 21.23 C ATOM 23 C VAL A 3 2.280 -5.518 -6.132 1.00 32.03 C ATOM 24 O VAL A 3 2.252 -5.513 -7.361 1.00 72.34 O ATOM 25 CB VAL A 3 4.465 -4.659 -5.134 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.667 -5.831 -4.170 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.192 -4.905 -6.457 1.00 25.11 C ATOM 0 H VAL A 3 2.737 -4.660 -3.303 1.00 32.11 H new ATOM 0 HA VAL A 3 2.912 -3.493 -5.981 1.00 21.23 H new ATOM 0 HB VAL A 3 4.898 -3.770 -4.675 1.00 43.02 H new ATOM 0 HG11 VAL A 3 5.733 -6.000 -4.022 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.200 -5.600 -3.213 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.212 -6.729 -4.588 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.248 -5.093 -6.262 1.00 25.11 H new ATOM 0 HG22 VAL A 3 4.756 -5.770 -6.957 1.00 25.11 H new ATOM 0 HG23 VAL A 3 5.091 -4.028 -7.096 1.00 25.11 H new ATOM 37 N GLU A 4 1.734 -6.457 -5.372 1.00 73.22 N ATOM 38 CA GLU A 4 1.039 -7.587 -5.964 1.00 63.21 C ATOM 39 C GLU A 4 -0.282 -7.131 -6.588 1.00 2.11 C ATOM 40 O GLU A 4 -0.563 -7.433 -7.747 1.00 24.52 O ATOM 41 CB GLU A 4 0.804 -8.689 -4.929 1.00 11.11 C ATOM 42 CG GLU A 4 0.290 -9.967 -5.595 1.00 4.20 C ATOM 43 CD GLU A 4 -0.351 -10.902 -4.567 1.00 44.00 C ATOM 44 OE1 GLU A 4 -0.766 -12.017 -4.917 1.00 12.45 O ATOM 45 OE2 GLU A 4 -0.411 -10.432 -3.367 1.00 23.24 O1- ATOM 0 H GLU A 4 1.759 -6.458 -4.352 1.00 73.22 H new ATOM 0 HA GLU A 4 1.667 -8.002 -6.753 1.00 63.21 H new ATOM 0 HB2 GLU A 4 1.733 -8.899 -4.399 1.00 11.11 H new ATOM 0 HB3 GLU A 4 0.084 -8.347 -4.186 1.00 11.11 H new ATOM 0 HG2 GLU A 4 -0.439 -9.712 -6.364 1.00 4.20 H new ATOM 0 HG3 GLU A 4 1.114 -10.478 -6.093 1.00 4.20 H new ATOM 53 N LYS A 5 -1.058 -6.411 -5.791 1.00 75.34 N ATOM 54 CA LYS A 5 -2.343 -5.910 -6.252 1.00 44.05 C ATOM 55 C LYS A 5 -2.116 -4.861 -7.342 1.00 71.23 C ATOM 56 O LYS A 5 -2.606 -5.006 -8.460 1.00 12.12 O ATOM 57 CB LYS A 5 -3.173 -5.401 -5.071 1.00 52.33 C ATOM 58 CG LYS A 5 -3.939 -6.547 -4.405 1.00 25.44 C ATOM 59 CD LYS A 5 -3.003 -7.709 -4.068 1.00 53.34 C ATOM 60 CE LYS A 5 -3.691 -8.718 -3.146 1.00 54.44 C ATOM 61 NZ LYS A 5 -5.060 -9.009 -3.626 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.823 -6.163 -4.830 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.927 -6.714 -6.700 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.519 -4.923 -4.341 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.875 -4.641 -5.416 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -4.420 -6.187 -3.495 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -4.731 -6.894 -5.069 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -2.689 -8.205 -4.986 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -2.102 -7.327 -3.588 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -3.110 -9.639 -3.107 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -3.731 -8.323 -2.131 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -5.412 -9.874 -3.169 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -5.687 -8.213 -3.390 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -5.045 -9.144 -4.657 1.00 55.34 H new ATOM 74 N GLY A 6 -1.371 -3.827 -6.977 1.00 50.24 N ATOM 75 CA GLY A 6 -1.074 -2.753 -7.909 1.00 73.13 C ATOM 76 C GLY A 6 -0.531 -3.308 -9.228 1.00 54.42 C ATOM 77 O GLY A 6 -0.585 -2.636 -10.257 1.00 0.33 O ATOM 0 H GLY A 6 -0.965 -3.711 -6.049 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.976 -2.171 -8.099 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.344 -2.075 -7.467 1.00 73.13 H new ATOM 81 N LYS A 7 -0.023 -4.529 -9.156 1.00 72.11 N ATOM 82 CA LYS A 7 0.528 -5.181 -10.331 1.00 33.13 C ATOM 83 C LYS A 7 -0.615 -5.705 -11.202 1.00 72.23 C ATOM 84 O LYS A 7 -0.723 -5.346 -12.373 1.00 11.22 O ATOM 85 CB LYS A 7 1.533 -6.260 -9.923 1.00 21.32 C ATOM 86 CG LYS A 7 1.679 -7.317 -11.020 1.00 61.52 C ATOM 87 CD LYS A 7 2.706 -8.380 -10.625 1.00 32.11 C ATOM 88 CE LYS A 7 2.038 -9.536 -9.879 1.00 14.32 C ATOM 89 NZ LYS A 7 3.022 -10.601 -9.582 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.019 -5.084 -8.301 1.00 72.11 H new ATOM 0 HA LYS A 7 1.088 -4.467 -10.935 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.502 -5.802 -9.723 1.00 21.32 H new ATOM 0 HB3 LYS A 7 1.207 -6.734 -8.997 1.00 21.32 H new ATOM 0 HG2 LYS A 7 0.714 -7.789 -11.205 1.00 61.52 H new ATOM 0 HG3 LYS A 7 1.984 -6.840 -11.951 1.00 61.52 H new ATOM 0 HD2 LYS A 7 3.205 -8.758 -11.517 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.475 -7.932 -9.995 1.00 32.11 H new ATOM 0 HE2 LYS A 7 1.598 -9.171 -8.951 1.00 14.32 H new ATOM 0 HE3 LYS A 7 1.224 -9.942 -10.480 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 2.551 -11.378 -9.075 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 3.423 -10.961 -10.471 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 3.784 -10.214 -8.990 1.00 44.20 H new ATOM 102 N LYS A 8 -1.442 -6.545 -10.595 1.00 14.31 N ATOM 103 CA LYS A 8 -2.574 -7.121 -11.302 1.00 71.23 C ATOM 104 C LYS A 8 -3.347 -6.008 -12.012 1.00 33.24 C ATOM 105 O LYS A 8 -3.848 -6.204 -13.118 1.00 33.30 O ATOM 106 CB LYS A 8 -3.433 -7.953 -10.347 1.00 4.10 C ATOM 107 CG LYS A 8 -2.932 -9.398 -10.278 1.00 33.13 C ATOM 108 CD LYS A 8 -1.734 -9.519 -9.335 1.00 22.11 C ATOM 109 CE LYS A 8 -1.258 -10.969 -9.236 1.00 14.34 C ATOM 110 NZ LYS A 8 -1.991 -11.683 -8.166 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.351 -6.840 -9.623 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.231 -7.812 -12.072 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.412 -7.509 -9.352 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.471 -7.939 -10.680 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -3.736 -10.049 -9.935 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -2.650 -9.737 -11.275 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -0.920 -8.889 -9.693 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -2.008 -9.154 -8.345 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -1.411 -11.474 -10.190 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -0.188 -10.994 -9.031 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -1.656 -12.666 -8.112 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -1.824 -11.210 -7.255 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -3.009 -11.676 -8.378 1.00 11.43 H new ATOM 123 N ILE A 9 -3.420 -4.864 -11.346 1.00 15.44 N ATOM 124 CA ILE A 9 -4.123 -3.721 -11.901 1.00 60.11 C ATOM 125 C ILE A 9 -3.465 -3.312 -13.220 1.00 15.22 C ATOM 126 O ILE A 9 -3.987 -3.606 -14.295 1.00 74.43 O ATOM 127 CB ILE A 9 -4.197 -2.588 -10.874 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.846 -3.067 -9.574 1.00 64.24 C ATOM 129 CG2 ILE A 9 -4.911 -1.367 -11.455 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.470 -2.155 -8.404 1.00 25.42 C ATOM 0 H ILE A 9 -3.004 -4.705 -10.428 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.156 -3.984 -12.129 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.180 -2.281 -10.631 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.930 -3.087 -9.690 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.529 -4.088 -9.360 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -4.950 -0.577 -10.705 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.368 -1.010 -12.330 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -5.925 -1.642 -11.745 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.945 -2.518 -7.492 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.388 -2.156 -8.275 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.810 -1.140 -8.610 1.00 25.42 H new ATOM 142 N PHE A 10 -2.329 -2.642 -13.096 1.00 13.32 N ATOM 143 CA PHE A 10 -1.595 -2.191 -14.265 1.00 72.43 C ATOM 144 C PHE A 10 -1.622 -3.248 -15.372 1.00 75.11 C ATOM 145 O PHE A 10 -1.867 -2.929 -16.534 1.00 2.34 O ATOM 146 CB PHE A 10 -0.147 -1.967 -13.825 1.00 70.22 C ATOM 147 CG PHE A 10 0.527 -0.764 -14.489 1.00 44.23 C ATOM 148 CD1 PHE A 10 0.383 0.478 -13.954 1.00 42.21 C ATOM 149 CD2 PHE A 10 1.270 -0.938 -15.615 1.00 11.20 C ATOM 150 CE1 PHE A 10 1.008 1.594 -14.571 1.00 53.34 C ATOM 151 CE2 PHE A 10 1.896 0.178 -16.232 1.00 43.23 C ATOM 152 CZ PHE A 10 1.751 1.420 -15.696 1.00 42.41 C ATOM 0 H PHE A 10 -1.899 -2.401 -12.203 1.00 13.32 H new ATOM 0 HA PHE A 10 -2.046 -1.280 -14.659 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.124 -1.832 -12.744 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.432 -2.863 -14.047 1.00 70.22 H new ATOM 0 HD1 PHE A 10 -0.207 0.616 -13.060 1.00 42.21 H new ATOM 0 HD2 PHE A 10 1.384 -1.924 -16.040 1.00 11.20 H new ATOM 0 HE1 PHE A 10 0.893 2.580 -14.147 1.00 53.34 H new ATOM 0 HE2 PHE A 10 2.486 0.041 -17.126 1.00 43.23 H new ATOM 0 HZ PHE A 10 2.227 2.269 -16.165 1.00 42.41 H new ATOM 162 N ILE A 11 -1.367 -4.484 -14.970 1.00 62.12 N ATOM 163 CA ILE A 11 -1.358 -5.590 -15.912 1.00 45.21 C ATOM 164 C ILE A 11 -2.525 -5.431 -16.889 1.00 24.11 C ATOM 165 O ILE A 11 -2.342 -5.527 -18.102 1.00 4.32 O ATOM 166 CB ILE A 11 -1.356 -6.927 -15.169 1.00 64.23 C ATOM 167 CG1 ILE A 11 0.044 -7.269 -14.658 1.00 24.22 C ATOM 168 CG2 ILE A 11 -1.934 -8.041 -16.045 1.00 33.21 C ATOM 169 CD1 ILE A 11 0.070 -8.658 -14.018 1.00 43.25 C ATOM 0 H ILE A 11 -1.165 -4.744 -14.005 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.442 -5.579 -16.503 1.00 45.21 H new ATOM 0 HB ILE A 11 -2.003 -6.834 -14.297 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.755 -7.232 -15.483 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.361 -6.523 -13.929 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -1.921 -8.981 -15.494 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -2.960 -7.794 -16.318 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -1.333 -8.142 -16.949 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.077 -8.876 -13.663 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -0.624 -8.685 -13.178 1.00 43.25 H new ATOM 0 HD13 ILE A 11 -0.224 -9.404 -14.756 1.00 43.25 H new ATOM 181 N MET A 12 -3.699 -5.189 -16.325 1.00 20.04 N ATOM 182 CA MET A 12 -4.895 -5.015 -17.130 1.00 73.11 C ATOM 183 C MET A 12 -5.574 -3.678 -16.823 1.00 2.53 C ATOM 184 O MET A 12 -6.797 -3.570 -16.889 1.00 61.15 O ATOM 185 CB MET A 12 -5.872 -6.160 -16.849 1.00 10.44 C ATOM 186 CG MET A 12 -5.528 -7.391 -17.690 1.00 20.33 C ATOM 187 SD MET A 12 -6.570 -8.762 -17.217 1.00 23.32 S ATOM 188 CE MET A 12 -6.276 -8.783 -15.458 1.00 74.43 C ATOM 0 H MET A 12 -3.847 -5.109 -15.319 1.00 20.04 H new ATOM 0 HA MET A 12 -4.606 -5.022 -18.181 1.00 73.11 H new ATOM 0 HB2 MET A 12 -5.841 -6.418 -15.790 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.890 -5.837 -17.069 1.00 10.44 H new ATOM 0 HG2 MET A 12 -5.664 -7.168 -18.748 1.00 20.33 H new ATOM 0 HG3 MET A 12 -4.480 -7.655 -17.552 1.00 20.33 H new ATOM 0 HE1 MET A 12 -6.393 -9.799 -15.082 1.00 74.43 H new ATOM 0 HE2 MET A 12 -5.263 -8.435 -15.254 1.00 74.43 H new ATOM 0 HE3 MET A 12 -6.992 -8.128 -14.962 1.00 74.43 H new ATOM 198 N LYS A 13 -4.750 -2.695 -16.495 1.00 3.23 N ATOM 199 CA LYS A 13 -5.255 -1.370 -16.177 1.00 42.12 C ATOM 200 C LYS A 13 -4.523 -0.331 -17.030 1.00 34.24 C ATOM 201 O LYS A 13 -5.155 0.497 -17.683 1.00 23.10 O ATOM 202 CB LYS A 13 -5.161 -1.107 -14.673 1.00 13.54 C ATOM 203 CG LYS A 13 -5.991 0.116 -14.277 1.00 61.54 C ATOM 204 CD LYS A 13 -7.394 -0.295 -13.829 1.00 54.44 C ATOM 205 CE LYS A 13 -8.371 -0.279 -15.006 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.732 0.081 -14.546 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.736 -2.789 -16.442 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.314 -1.297 -16.424 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.511 -1.982 -14.125 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.120 -0.951 -14.392 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.491 0.654 -13.471 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -6.061 0.801 -15.122 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.362 -1.293 -13.391 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.745 0.383 -13.051 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -8.034 0.436 -15.757 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -8.390 -1.258 -15.484 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -10.382 0.087 -15.357 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -10.058 -0.616 -13.846 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.713 1.025 -14.111 1.00 20.13 H new ATOM 219 N CYS A 14 -3.201 -0.411 -16.998 1.00 0.42 N ATOM 220 CA CYS A 14 -2.377 0.511 -17.760 1.00 73.31 C ATOM 221 C CYS A 14 -1.547 -0.299 -18.758 1.00 61.22 C ATOM 222 O CYS A 14 -1.516 0.019 -19.947 1.00 3.21 O ATOM 223 CB CYS A 14 -1.495 1.367 -16.848 1.00 23.12 C ATOM 224 SG CYS A 14 -2.323 1.980 -15.336 1.00 24.50 S ATOM 0 H CYS A 14 -2.680 -1.100 -16.456 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.014 1.210 -18.301 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.623 0.782 -16.556 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.130 2.222 -17.417 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.593 1.700 -14.297 1.00 24.50 H new ATOM 229 N SER A 15 -0.896 -1.330 -18.239 1.00 53.01 N ATOM 230 CA SER A 15 -0.069 -2.188 -19.072 1.00 44.23 C ATOM 231 C SER A 15 -0.763 -2.447 -20.409 1.00 0.15 C ATOM 232 O SER A 15 -0.105 -2.580 -21.440 1.00 13.43 O ATOM 233 CB SER A 15 0.235 -3.511 -18.366 1.00 10.33 C ATOM 234 OG SER A 15 1.299 -4.219 -18.996 1.00 53.25 O ATOM 0 H SER A 15 -0.924 -1.591 -17.253 1.00 53.01 H new ATOM 0 HA SER A 15 0.877 -1.678 -19.255 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.495 -3.316 -17.326 1.00 10.33 H new ATOM 0 HB3 SER A 15 -0.660 -4.133 -18.359 1.00 10.33 H new ATOM 0 HG SER A 15 1.464 -5.057 -18.515 1.00 53.25 H new ATOM 240 N GLN A 16 -2.086 -2.510 -20.351 1.00 52.31 N ATOM 241 CA GLN A 16 -2.877 -2.750 -21.546 1.00 24.53 C ATOM 242 C GLN A 16 -2.283 -1.994 -22.737 1.00 24.04 C ATOM 243 O GLN A 16 -2.081 -2.572 -23.804 1.00 52.22 O ATOM 244 CB GLN A 16 -4.339 -2.360 -21.323 1.00 34.30 C ATOM 245 CG GLN A 16 -5.234 -2.938 -22.420 1.00 64.14 C ATOM 246 CD GLN A 16 -5.183 -4.467 -22.422 1.00 25.22 C ATOM 247 OE1 GLN A 16 -5.549 -5.127 -21.464 1.00 33.12 O ATOM 248 NE2 GLN A 16 -4.708 -4.991 -23.549 1.00 5.30 N ATOM 0 H GLN A 16 -2.629 -2.399 -19.495 1.00 52.31 H new ATOM 0 HA GLN A 16 -2.850 -3.817 -21.768 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -4.671 -2.721 -20.350 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.431 -1.274 -21.308 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -6.261 -2.605 -22.269 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -4.916 -2.559 -23.391 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -4.419 -4.380 -24.313 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -4.633 -6.003 -23.649 1.00 5.30 H new ATOM 257 N CYS A 17 -2.022 -0.715 -22.514 1.00 3.32 N ATOM 258 CA CYS A 17 -1.456 0.126 -23.555 1.00 24.21 C ATOM 259 C CYS A 17 -0.018 0.472 -23.164 1.00 61.52 C ATOM 260 O CYS A 17 0.906 0.294 -23.958 1.00 14.11 O ATOM 261 CB CYS A 17 -2.300 1.379 -23.791 1.00 30.04 C ATOM 262 SG CYS A 17 -4.070 1.205 -23.360 1.00 4.14 S ATOM 0 H CYS A 17 -2.192 -0.240 -21.627 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.454 -0.414 -24.502 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.878 2.199 -23.210 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -2.222 1.660 -24.841 1.00 30.04 H new ATOM 0 HG CYS A 17 -4.687 2.325 -23.597 1.00 4.14 H new ATOM 267 N HIS A 18 0.128 0.960 -21.941 1.00 62.50 N ATOM 268 CA HIS A 18 1.438 1.332 -21.434 1.00 4.04 C ATOM 269 C HIS A 18 2.340 0.097 -21.385 1.00 22.22 C ATOM 270 O HIS A 18 1.913 -1.001 -21.739 1.00 62.34 O ATOM 271 CB HIS A 18 1.318 2.035 -20.081 1.00 40.31 C ATOM 272 CG HIS A 18 0.713 3.417 -20.157 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.400 4.508 -20.661 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.518 3.871 -19.789 1.00 25.02 C ATOM 275 CE1 HIS A 18 0.607 5.567 -20.593 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.581 5.171 -20.052 1.00 53.31 N ATOM 0 H HIS A 18 -0.640 1.107 -21.286 1.00 62.50 H new ATOM 0 HA HIS A 18 1.903 2.050 -22.110 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.711 1.420 -19.416 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.309 2.108 -19.632 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.354 4.498 -21.023 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.308 3.275 -19.357 1.00 25.02 H new ATOM 0 HE1 HIS A 18 0.857 6.569 -20.910 1.00 64.43 H new ATOM 284 N THR A 19 3.568 0.318 -20.942 1.00 13.43 N ATOM 285 CA THR A 19 4.534 -0.763 -20.840 1.00 60.21 C ATOM 286 C THR A 19 5.657 -0.387 -19.872 1.00 32.10 C ATOM 287 O THR A 19 6.387 0.574 -20.108 1.00 32.41 O ATOM 288 CB THR A 19 5.030 -1.087 -22.250 1.00 74.25 C ATOM 289 OG1 THR A 19 5.145 0.186 -22.879 1.00 32.15 O ATOM 290 CG2 THR A 19 3.980 -1.822 -23.086 1.00 61.22 C ATOM 0 H THR A 19 3.917 1.231 -20.649 1.00 13.43 H new ATOM 0 HA THR A 19 4.079 -1.662 -20.425 1.00 60.21 H new ATOM 0 HB THR A 19 5.933 -1.694 -22.186 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.463 0.069 -23.798 1.00 32.15 H new ATOM 0 HG21 THR A 19 4.383 -2.028 -24.078 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.719 -2.761 -22.598 1.00 61.22 H new ATOM 0 HG23 THR A 19 3.089 -1.201 -23.178 1.00 61.22 H new ATOM 298 N VAL A 20 5.758 -1.163 -18.804 1.00 73.30 N ATOM 299 CA VAL A 20 6.781 -0.923 -17.799 1.00 62.41 C ATOM 300 C VAL A 20 8.061 -1.660 -18.194 1.00 42.31 C ATOM 301 O VAL A 20 8.664 -2.350 -17.372 1.00 23.32 O ATOM 302 CB VAL A 20 6.260 -1.326 -16.418 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.865 -0.750 -16.167 1.00 11.15 C ATOM 304 CG2 VAL A 20 6.264 -2.848 -16.253 1.00 54.03 C ATOM 0 H VAL A 20 5.149 -1.958 -18.612 1.00 73.30 H new ATOM 0 HA VAL A 20 7.022 0.139 -17.744 1.00 62.41 H new ATOM 0 HB VAL A 20 6.934 -0.906 -15.671 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.519 -1.052 -15.178 1.00 11.15 H new ATOM 0 HG12 VAL A 20 4.906 0.338 -16.221 1.00 11.15 H new ATOM 0 HG13 VAL A 20 4.175 -1.125 -16.923 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.889 -3.108 -15.263 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.625 -3.298 -17.013 1.00 54.03 H new ATOM 0 HG23 VAL A 20 7.281 -3.224 -16.366 1.00 54.03 H new ATOM 314 N GLU A 21 8.440 -1.490 -19.452 1.00 2.20 N ATOM 315 CA GLU A 21 9.638 -2.131 -19.966 1.00 22.52 C ATOM 316 C GLU A 21 10.388 -1.181 -20.903 1.00 34.35 C ATOM 317 O GLU A 21 9.841 -0.738 -21.912 1.00 52.54 O ATOM 318 CB GLU A 21 9.297 -3.444 -20.675 1.00 61.35 C ATOM 319 CG GLU A 21 8.570 -3.182 -21.995 1.00 1.24 C ATOM 320 CD GLU A 21 7.738 -4.396 -22.413 1.00 73.45 C ATOM 321 OE1 GLU A 21 8.296 -5.392 -22.898 1.00 31.11 O ATOM 322 OE2 GLU A 21 6.469 -4.281 -22.216 1.00 44.15 O1- ATOM 0 H GLU A 21 7.938 -0.917 -20.131 1.00 2.20 H new ATOM 0 HA GLU A 21 10.288 -2.369 -19.124 1.00 22.52 H new ATOM 0 HB2 GLU A 21 10.211 -4.007 -20.865 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.672 -4.059 -20.028 1.00 61.35 H new ATOM 0 HG2 GLU A 21 7.923 -2.311 -21.891 1.00 1.24 H new ATOM 0 HG3 GLU A 21 9.296 -2.948 -22.774 1.00 1.24 H new ATOM 330 N LYS A 22 11.629 -0.896 -20.537 1.00 34.22 N ATOM 331 CA LYS A 22 12.458 -0.007 -21.332 1.00 44.40 C ATOM 332 C LYS A 22 12.264 -0.326 -22.816 1.00 4.32 C ATOM 333 O LYS A 22 11.778 -1.401 -23.164 1.00 2.32 O ATOM 334 CB LYS A 22 13.916 -0.082 -20.872 1.00 74.13 C ATOM 335 CG LYS A 22 14.747 1.038 -21.503 1.00 50.22 C ATOM 336 CD LYS A 22 14.163 2.411 -21.163 1.00 63.22 C ATOM 337 CE LYS A 22 15.167 3.524 -21.468 1.00 63.42 C ATOM 338 NZ LYS A 22 15.173 3.837 -22.915 1.00 43.00 N1+ ATOM 0 H LYS A 22 12.080 -1.265 -19.700 1.00 34.22 H new ATOM 0 HA LYS A 22 12.154 1.030 -21.187 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.963 -0.007 -19.786 1.00 74.13 H new ATOM 0 HB3 LYS A 22 14.338 -1.050 -21.143 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.775 0.978 -21.147 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.776 0.909 -22.585 1.00 50.22 H new ATOM 0 HD2 LYS A 22 13.250 2.573 -21.735 1.00 63.22 H new ATOM 0 HD3 LYS A 22 13.889 2.443 -20.109 1.00 63.22 H new ATOM 0 HE2 LYS A 22 14.912 4.417 -20.898 1.00 63.42 H new ATOM 0 HE3 LYS A 22 16.164 3.218 -21.152 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 15.860 4.595 -23.103 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 15.438 2.987 -23.453 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 14.225 4.149 -23.207 1.00 43.00 H new ATOM 351 N GLY A 23 12.653 0.627 -23.649 1.00 52.14 N ATOM 352 CA GLY A 23 12.528 0.462 -25.088 1.00 30.32 C ATOM 353 C GLY A 23 11.159 -0.116 -25.455 1.00 2.14 C ATOM 354 O GLY A 23 11.028 -0.825 -26.452 1.00 23.14 O ATOM 0 H GLY A 23 13.055 1.517 -23.355 1.00 52.14 H new ATOM 0 HA2 GLY A 23 12.665 1.424 -25.582 1.00 30.32 H new ATOM 0 HA3 GLY A 23 13.315 -0.198 -25.452 1.00 30.32 H new ATOM 358 N GLY A 24 10.174 0.211 -24.632 1.00 32.53 N ATOM 359 CA GLY A 24 8.820 -0.266 -24.857 1.00 33.34 C ATOM 360 C GLY A 24 8.336 0.104 -26.261 1.00 72.53 C ATOM 361 O GLY A 24 9.133 0.493 -27.115 1.00 13.20 O ATOM 0 H GLY A 24 10.287 0.801 -23.808 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.786 -1.348 -24.730 1.00 33.34 H new ATOM 0 HA3 GLY A 24 8.150 0.164 -24.112 1.00 33.34 H new ATOM 365 N LYS A 25 7.033 -0.031 -26.458 1.00 11.42 N ATOM 366 CA LYS A 25 6.434 0.285 -27.744 1.00 2.02 C ATOM 367 C LYS A 25 5.538 1.516 -27.596 1.00 31.52 C ATOM 368 O LYS A 25 5.004 1.775 -26.518 1.00 72.44 O ATOM 369 CB LYS A 25 5.709 -0.938 -28.311 1.00 24.30 C ATOM 370 CG LYS A 25 6.608 -2.175 -28.273 1.00 22.43 C ATOM 371 CD LYS A 25 7.359 -2.348 -29.595 1.00 53.42 C ATOM 372 CE LYS A 25 8.298 -3.554 -29.538 1.00 11.53 C ATOM 373 NZ LYS A 25 9.424 -3.292 -28.613 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.375 -0.355 -25.749 1.00 11.42 H new ATOM 0 HA LYS A 25 7.205 0.537 -28.472 1.00 2.02 H new ATOM 0 HB2 LYS A 25 4.802 -1.126 -27.737 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.401 -0.739 -29.338 1.00 24.30 H new ATOM 0 HG2 LYS A 25 7.322 -2.085 -27.454 1.00 22.43 H new ATOM 0 HG3 LYS A 25 6.005 -3.061 -28.074 1.00 22.43 H new ATOM 0 HD2 LYS A 25 6.645 -2.476 -30.409 1.00 53.42 H new ATOM 0 HD3 LYS A 25 7.932 -1.447 -29.813 1.00 53.42 H new ATOM 0 HE2 LYS A 25 7.748 -4.436 -29.209 1.00 11.53 H new ATOM 0 HE3 LYS A 25 8.682 -3.771 -30.535 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 10.167 -4.004 -28.760 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 9.811 -2.345 -28.797 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 9.086 -3.343 -27.631 1.00 63.31 H new ATOM 386 N HIS A 26 5.400 2.243 -28.695 1.00 25.51 N ATOM 387 CA HIS A 26 4.579 3.442 -28.701 1.00 74.44 C ATOM 388 C HIS A 26 3.148 3.081 -29.105 1.00 45.22 C ATOM 389 O HIS A 26 2.507 3.816 -29.854 1.00 2.22 O ATOM 390 CB HIS A 26 5.195 4.519 -29.596 1.00 11.11 C ATOM 391 CG HIS A 26 6.323 5.285 -28.950 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.716 5.076 -27.639 1.00 62.23 N ATOM 393 CD2 HIS A 26 7.139 6.259 -29.446 1.00 45.21 C ATOM 394 CE1 HIS A 26 7.723 5.894 -27.369 1.00 75.04 C ATOM 395 NE2 HIS A 26 7.983 6.626 -28.489 1.00 43.14 N ATOM 0 H HIS A 26 5.843 2.025 -29.588 1.00 25.51 H new ATOM 0 HA HIS A 26 4.541 3.866 -27.698 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.564 4.051 -30.509 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.415 5.221 -29.891 1.00 11.11 H new ATOM 0 HD2 HIS A 26 7.104 6.663 -30.447 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.246 5.968 -26.427 1.00 75.04 H new ATOM 0 HE2 HIS A 26 8.707 7.339 -28.577 1.00 43.14 H new ATOM 403 N LYS A 27 2.690 1.949 -28.591 1.00 44.03 N ATOM 404 CA LYS A 27 1.346 1.481 -28.889 1.00 53.42 C ATOM 405 C LYS A 27 0.334 2.548 -28.465 1.00 34.44 C ATOM 406 O LYS A 27 0.690 3.712 -28.289 1.00 33.44 O ATOM 407 CB LYS A 27 1.102 0.113 -28.251 1.00 74.10 C ATOM 408 CG LYS A 27 0.207 -0.754 -29.140 1.00 42.43 C ATOM 409 CD LYS A 27 0.803 -2.152 -29.321 1.00 54.03 C ATOM 410 CE LYS A 27 0.522 -3.030 -28.100 1.00 14.52 C ATOM 411 NZ LYS A 27 1.117 -4.372 -28.279 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.225 1.342 -27.970 1.00 44.03 H new ATOM 0 HA LYS A 27 1.222 1.333 -29.962 1.00 53.42 H new ATOM 0 HB2 LYS A 27 2.055 -0.391 -28.086 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.636 0.241 -27.274 1.00 74.10 H new ATOM 0 HG2 LYS A 27 -0.786 -0.833 -28.696 1.00 42.43 H new ATOM 0 HG3 LYS A 27 0.085 -0.278 -30.113 1.00 42.43 H new ATOM 0 HD2 LYS A 27 0.383 -2.618 -30.213 1.00 54.03 H new ATOM 0 HD3 LYS A 27 1.879 -2.075 -29.478 1.00 54.03 H new ATOM 0 HE2 LYS A 27 0.931 -2.561 -27.205 1.00 14.52 H new ATOM 0 HE3 LYS A 27 -0.554 -3.120 -27.949 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 0.917 -4.955 -27.441 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 0.707 -4.824 -29.121 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 2.146 -4.282 -28.400 1.00 5.14 H new ATOM 424 N THR A 28 -0.907 2.112 -28.314 1.00 74.51 N ATOM 425 CA THR A 28 -1.974 3.014 -27.913 1.00 2.42 C ATOM 426 C THR A 28 -1.475 3.986 -26.842 1.00 41.14 C ATOM 427 O THR A 28 -1.968 5.109 -26.740 1.00 32.05 O ATOM 428 CB THR A 28 -3.164 2.167 -27.459 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.679 1.615 -28.668 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.315 3.017 -26.918 1.00 32.01 C ATOM 0 H THR A 28 -1.198 1.146 -28.462 1.00 74.51 H new ATOM 0 HA THR A 28 -2.300 3.637 -28.746 1.00 2.42 H new ATOM 0 HB THR A 28 -2.838 1.466 -26.691 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.453 1.049 -28.466 1.00 43.31 H new ATOM 0 HG21 THR A 28 -5.134 2.367 -26.610 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.969 3.595 -26.061 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.664 3.695 -27.697 1.00 32.01 H new ATOM 438 N GLY A 29 -0.505 3.519 -26.069 1.00 64.54 N ATOM 439 CA GLY A 29 0.064 4.334 -25.010 1.00 55.30 C ATOM 440 C GLY A 29 1.593 4.312 -25.064 1.00 1.42 C ATOM 441 O GLY A 29 2.185 3.395 -25.631 1.00 41.14 O ATOM 0 H GLY A 29 -0.099 2.587 -26.155 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.292 5.360 -25.104 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.275 3.967 -24.041 1.00 55.30 H new ATOM 445 N PRO A 30 2.205 5.361 -24.451 1.00 74.54 N ATOM 446 CA PRO A 30 3.653 5.470 -24.424 1.00 74.11 C ATOM 447 C PRO A 30 4.260 4.486 -23.421 1.00 24.32 C ATOM 448 O PRO A 30 3.538 3.869 -22.639 1.00 24.23 O ATOM 449 CB PRO A 30 3.931 6.923 -24.072 1.00 41.30 C ATOM 450 CG PRO A 30 2.646 7.457 -23.461 1.00 54.01 C ATOM 451 CD PRO A 30 1.536 6.465 -23.769 1.00 12.13 C ATOM 0 HA PRO A 30 4.112 5.209 -25.378 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.760 7.003 -23.369 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.208 7.493 -24.958 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.758 7.582 -22.384 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.407 8.438 -23.872 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.043 6.127 -22.858 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.768 6.913 -24.400 1.00 12.13 H new ATOM 459 N ASN A 31 5.578 4.370 -23.478 1.00 21.33 N ATOM 460 CA ASN A 31 6.290 3.471 -22.585 1.00 33.24 C ATOM 461 C ASN A 31 6.484 4.154 -21.230 1.00 11.33 C ATOM 462 O ASN A 31 6.779 5.347 -21.168 1.00 70.42 O ATOM 463 CB ASN A 31 7.672 3.122 -23.141 1.00 44.34 C ATOM 464 CG ASN A 31 8.468 2.281 -22.142 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.439 2.725 -21.552 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.004 1.044 -21.985 1.00 71.13 N ATOM 0 H ASN A 31 6.172 4.884 -24.129 1.00 21.33 H new ATOM 0 HA ASN A 31 5.701 2.559 -22.485 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.564 2.575 -24.077 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.218 4.037 -23.368 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.466 0.404 -21.339 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.186 0.736 -22.510 1.00 71.13 H new ATOM 473 N LEU A 32 6.310 3.369 -20.177 1.00 25.52 N ATOM 474 CA LEU A 32 6.462 3.883 -18.827 1.00 3.12 C ATOM 475 C LEU A 32 7.591 3.126 -18.122 1.00 43.31 C ATOM 476 O LEU A 32 7.335 2.267 -17.281 1.00 21.41 O ATOM 477 CB LEU A 32 5.128 3.832 -18.080 1.00 53.22 C ATOM 478 CG LEU A 32 3.983 4.638 -18.697 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.666 4.367 -17.966 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.321 6.130 -18.733 1.00 64.04 C ATOM 0 H LEU A 32 6.065 2.380 -20.232 1.00 25.52 H new ATOM 0 HA LEU A 32 6.748 4.935 -18.850 1.00 3.12 H new ATOM 0 HB2 LEU A 32 4.815 2.791 -18.007 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.290 4.188 -17.063 1.00 53.22 H new ATOM 0 HG LEU A 32 3.852 4.312 -19.729 1.00 2.33 H new ATOM 0 HD11 LEU A 32 1.869 4.952 -18.424 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.423 3.307 -18.034 1.00 33.31 H new ATOM 0 HD13 LEU A 32 2.767 4.649 -16.918 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.491 6.680 -19.176 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.494 6.489 -17.718 1.00 64.04 H new ATOM 0 HD23 LEU A 32 5.219 6.285 -19.330 1.00 64.04 H new ATOM 492 N HIS A 33 8.815 3.475 -18.492 1.00 23.30 N ATOM 493 CA HIS A 33 9.982 2.840 -17.906 1.00 74.15 C ATOM 494 C HIS A 33 10.994 3.909 -17.491 1.00 20.01 C ATOM 495 O HIS A 33 12.021 4.085 -18.143 1.00 41.10 O ATOM 496 CB HIS A 33 10.575 1.804 -18.864 1.00 31.34 C ATOM 497 CG HIS A 33 11.530 0.836 -18.206 1.00 51.32 C ATOM 498 ND1 HIS A 33 12.874 1.115 -18.027 1.00 11.24 N ATOM 499 CD2 HIS A 33 11.323 -0.408 -17.688 1.00 72.42 C ATOM 500 CE1 HIS A 33 13.439 0.078 -17.427 1.00 33.45 C ATOM 501 NE2 HIS A 33 12.476 -0.865 -17.218 1.00 33.01 N ATOM 0 H HIS A 33 9.023 4.189 -19.190 1.00 23.30 H new ATOM 0 HA HIS A 33 9.691 2.296 -17.008 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.762 1.241 -19.323 1.00 31.34 H new ATOM 0 HB3 HIS A 33 11.097 2.324 -19.668 1.00 31.34 H new ATOM 0 HD2 HIS A 33 10.379 -0.933 -17.664 1.00 72.42 H new ATOM 0 HE1 HIS A 33 14.480 -0.006 -17.152 1.00 33.45 H new ATOM 0 HE2 HIS A 33 12.619 -1.772 -16.774 1.00 33.01 H new ATOM 509 N GLY A 34 10.666 4.597 -16.406 1.00 13.14 N ATOM 510 CA GLY A 34 11.534 5.646 -15.895 1.00 20.04 C ATOM 511 C GLY A 34 10.928 7.028 -16.145 1.00 32.42 C ATOM 512 O GLY A 34 11.655 8.002 -16.338 1.00 44.34 O ATOM 0 H GLY A 34 9.813 4.449 -15.867 1.00 13.14 H new ATOM 0 HA2 GLY A 34 11.694 5.503 -14.826 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.511 5.581 -16.375 1.00 20.04 H new ATOM 516 N LEU A 35 9.605 7.071 -16.134 1.00 32.24 N ATOM 517 CA LEU A 35 8.894 8.318 -16.358 1.00 31.25 C ATOM 518 C LEU A 35 8.611 8.988 -15.012 1.00 52.04 C ATOM 519 O LEU A 35 7.688 9.791 -14.896 1.00 22.11 O ATOM 520 CB LEU A 35 7.638 8.075 -17.199 1.00 41.23 C ATOM 521 CG LEU A 35 6.917 9.327 -17.704 1.00 31.03 C ATOM 522 CD1 LEU A 35 7.500 9.795 -19.039 1.00 5.42 C ATOM 523 CD2 LEU A 35 5.407 9.094 -17.788 1.00 1.05 C ATOM 0 H LEU A 35 9.006 6.262 -15.973 1.00 32.24 H new ATOM 0 HA LEU A 35 9.509 9.008 -16.936 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.913 7.466 -18.060 1.00 41.23 H new ATOM 0 HB3 LEU A 35 6.935 7.489 -16.606 1.00 41.23 H new ATOM 0 HG LEU A 35 7.079 10.128 -16.983 1.00 31.03 H new ATOM 0 HD11 LEU A 35 6.970 10.686 -19.375 1.00 5.42 H new ATOM 0 HD12 LEU A 35 8.557 10.028 -18.913 1.00 5.42 H new ATOM 0 HD13 LEU A 35 7.389 9.005 -19.782 1.00 5.42 H new ATOM 0 HD21 LEU A 35 4.919 9.999 -18.149 1.00 1.05 H new ATOM 0 HD22 LEU A 35 5.203 8.273 -18.475 1.00 1.05 H new ATOM 0 HD23 LEU A 35 5.022 8.844 -16.799 1.00 1.05 H new ATOM 535 N PHE A 36 9.425 8.633 -14.029 1.00 20.52 N ATOM 536 CA PHE A 36 9.275 9.189 -12.695 1.00 73.41 C ATOM 537 C PHE A 36 10.441 10.121 -12.355 1.00 62.01 C ATOM 538 O PHE A 36 11.337 9.749 -11.599 1.00 45.32 O ATOM 539 CB PHE A 36 9.275 8.014 -11.716 1.00 3.55 C ATOM 540 CG PHE A 36 7.965 7.225 -11.691 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.463 6.703 -12.842 1.00 21.25 C ATOM 542 CD2 PHE A 36 7.302 7.045 -10.516 1.00 55.31 C ATOM 543 CE1 PHE A 36 6.246 5.971 -12.818 1.00 11.12 C ATOM 544 CE2 PHE A 36 6.086 6.313 -10.492 1.00 43.54 C ATOM 545 CZ PHE A 36 5.583 5.791 -11.644 1.00 24.50 C ATOM 0 H PHE A 36 10.191 7.967 -14.130 1.00 20.52 H new ATOM 0 HA PHE A 36 8.353 9.767 -12.635 1.00 73.41 H new ATOM 0 HB2 PHE A 36 10.089 7.338 -11.976 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.480 8.390 -10.714 1.00 3.55 H new ATOM 0 HD1 PHE A 36 7.990 6.845 -13.774 1.00 21.25 H new ATOM 0 HD2 PHE A 36 7.701 7.459 -9.602 1.00 55.31 H new ATOM 0 HE1 PHE A 36 5.847 5.557 -13.732 1.00 11.12 H new ATOM 0 HE2 PHE A 36 5.560 6.170 -9.560 1.00 43.54 H new ATOM 0 HZ PHE A 36 4.658 5.234 -11.626 1.00 24.50 H new ATOM 555 N GLY A 37 10.390 11.313 -12.930 1.00 72.03 N ATOM 556 CA GLY A 37 11.430 12.301 -12.697 1.00 54.23 C ATOM 557 C GLY A 37 11.696 13.125 -13.959 1.00 11.10 C ATOM 558 O GLY A 37 12.288 14.201 -13.889 1.00 34.13 O ATOM 0 H GLY A 37 9.645 11.617 -13.557 1.00 72.03 H new ATOM 0 HA2 GLY A 37 11.133 12.962 -11.883 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.347 11.802 -12.384 1.00 54.23 H new ATOM 562 N ARG A 38 11.246 12.587 -15.083 1.00 20.32 N ATOM 563 CA ARG A 38 11.428 13.259 -16.359 1.00 21.31 C ATOM 564 C ARG A 38 10.182 14.073 -16.713 1.00 12.13 C ATOM 565 O ARG A 38 9.098 13.814 -16.192 1.00 64.01 O ATOM 566 CB ARG A 38 11.706 12.252 -17.477 1.00 72.11 C ATOM 567 CG ARG A 38 10.469 11.401 -17.769 1.00 4.21 C ATOM 568 CD ARG A 38 10.830 10.186 -18.626 1.00 70.22 C ATOM 569 NE ARG A 38 11.405 10.629 -19.915 1.00 24.34 N ATOM 570 CZ ARG A 38 11.605 9.816 -20.975 1.00 4.41 C ATOM 571 NH1 ARG A 38 11.277 8.508 -20.906 1.00 32.22 N ATOM 572 NH2 ARG A 38 12.125 10.319 -22.077 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.756 11.694 -15.137 1.00 20.32 H new ATOM 0 HA ARG A 38 12.286 13.925 -16.264 1.00 21.31 H new ATOM 0 HB2 ARG A 38 12.009 12.781 -18.380 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.537 11.607 -17.192 1.00 72.11 H new ATOM 0 HG2 ARG A 38 10.022 11.070 -16.832 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.721 12.004 -18.284 1.00 4.21 H new ATOM 0 HD2 ARG A 38 11.545 9.557 -18.096 1.00 70.22 H new ATOM 0 HD3 ARG A 38 9.942 9.579 -18.804 1.00 70.22 H new ATOM 0 HE ARG A 38 11.667 11.610 -20.009 1.00 24.34 H new ATOM 0 HH11 ARG A 38 10.875 8.127 -20.049 1.00 32.22 H new ATOM 0 HH12 ARG A 38 11.431 7.900 -21.711 1.00 32.22 H new ATOM 0 HH21 ARG A 38 12.370 11.308 -22.120 1.00 41.32 H new ATOM 0 HH22 ARG A 38 12.283 9.719 -22.887 1.00 41.32 H new ATOM 585 N LYS A 39 10.377 15.039 -17.598 1.00 13.22 N ATOM 586 CA LYS A 39 9.281 15.892 -18.027 1.00 74.33 C ATOM 587 C LYS A 39 8.379 15.112 -18.985 1.00 3.51 C ATOM 588 O LYS A 39 8.663 13.961 -19.313 1.00 62.53 O ATOM 589 CB LYS A 39 9.819 17.198 -18.616 1.00 1.41 C ATOM 590 CG LYS A 39 10.298 18.142 -17.511 1.00 54.01 C ATOM 591 CD LYS A 39 9.164 19.054 -17.039 1.00 44.05 C ATOM 592 CE LYS A 39 8.873 20.146 -18.070 1.00 41.14 C ATOM 593 NZ LYS A 39 9.813 21.277 -17.908 1.00 34.23 N1+ ATOM 0 H LYS A 39 11.277 15.250 -18.030 1.00 13.22 H new ATOM 0 HA LYS A 39 8.667 16.182 -17.174 1.00 74.33 H new ATOM 0 HB2 LYS A 39 10.642 16.982 -19.297 1.00 1.41 H new ATOM 0 HB3 LYS A 39 9.040 17.685 -19.202 1.00 1.41 H new ATOM 0 HG2 LYS A 39 10.676 17.561 -16.670 1.00 54.01 H new ATOM 0 HG3 LYS A 39 11.127 18.747 -17.879 1.00 54.01 H new ATOM 0 HD2 LYS A 39 8.265 18.463 -16.867 1.00 44.05 H new ATOM 0 HD3 LYS A 39 9.432 19.511 -16.086 1.00 44.05 H new ATOM 0 HE2 LYS A 39 8.958 19.736 -19.076 1.00 41.14 H new ATOM 0 HE3 LYS A 39 7.848 20.498 -17.955 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 9.601 22.009 -18.616 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 9.712 21.678 -16.954 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 10.788 20.940 -18.040 1.00 34.23 H new ATOM 606 N THR A 40 7.308 15.770 -19.406 1.00 65.31 N ATOM 607 CA THR A 40 6.361 15.151 -20.319 1.00 31.43 C ATOM 608 C THR A 40 6.852 15.280 -21.762 1.00 44.43 C ATOM 609 O THR A 40 7.904 15.864 -22.015 1.00 33.44 O ATOM 610 CB THR A 40 4.991 15.790 -20.084 1.00 11.21 C ATOM 611 OG1 THR A 40 5.262 17.189 -20.052 1.00 13.44 O ATOM 612 CG2 THR A 40 4.436 15.487 -18.690 1.00 70.11 C ATOM 0 H THR A 40 7.075 16.725 -19.132 1.00 65.31 H new ATOM 0 HA THR A 40 6.272 14.081 -20.132 1.00 31.43 H new ATOM 0 HB THR A 40 4.290 15.435 -20.840 1.00 11.21 H new ATOM 0 HG1 THR A 40 4.760 17.636 -20.766 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.462 15.963 -18.575 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.329 14.409 -18.567 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.120 15.872 -17.934 1.00 70.11 H new ATOM 620 N GLY A 41 6.064 14.724 -22.673 1.00 74.22 N ATOM 621 CA GLY A 41 6.406 14.770 -24.084 1.00 71.51 C ATOM 622 C GLY A 41 7.910 14.586 -24.292 1.00 41.34 C ATOM 623 O GLY A 41 8.565 15.430 -24.901 1.00 43.02 O ATOM 0 H GLY A 41 5.191 14.240 -22.461 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.864 13.990 -24.618 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.091 15.724 -24.507 1.00 71.51 H new ATOM 627 N GLN A 42 8.416 13.477 -23.772 1.00 44.12 N ATOM 628 CA GLN A 42 9.831 13.171 -23.893 1.00 73.11 C ATOM 629 C GLN A 42 10.049 12.067 -24.929 1.00 50.22 C ATOM 630 O GLN A 42 10.886 12.204 -25.820 1.00 50.14 O ATOM 631 CB GLN A 42 10.424 12.776 -22.538 1.00 52.53 C ATOM 632 CG GLN A 42 10.388 13.953 -21.561 1.00 41.42 C ATOM 633 CD GLN A 42 11.184 15.141 -22.104 1.00 13.22 C ATOM 634 OE1 GLN A 42 12.378 15.271 -21.892 1.00 42.03 O ATOM 635 NE2 GLN A 42 10.458 15.999 -22.816 1.00 33.53 N ATOM 0 H GLN A 42 7.871 12.779 -23.266 1.00 44.12 H new ATOM 0 HA GLN A 42 10.349 14.068 -24.232 1.00 73.11 H new ATOM 0 HB2 GLN A 42 9.866 11.937 -22.123 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.452 12.440 -22.671 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.355 14.253 -21.385 1.00 41.42 H new ATOM 0 HG3 GLN A 42 10.798 13.645 -20.599 1.00 41.42 H new ATOM 0 HE21 GLN A 42 9.462 15.831 -22.956 1.00 33.53 H new ATOM 0 HE22 GLN A 42 10.898 16.825 -23.222 1.00 33.53 H new ATOM 644 N ALA A 43 9.283 10.997 -24.778 1.00 21.43 N ATOM 645 CA ALA A 43 9.382 9.869 -25.690 1.00 13.43 C ATOM 646 C ALA A 43 9.581 10.389 -27.115 1.00 25.42 C ATOM 647 O ALA A 43 8.622 10.789 -27.773 1.00 21.44 O ATOM 648 CB ALA A 43 8.135 8.994 -25.556 1.00 52.04 C ATOM 0 H ALA A 43 8.590 10.887 -24.037 1.00 21.43 H new ATOM 0 HA ALA A 43 10.243 9.248 -25.443 1.00 13.43 H new ATOM 0 HB1 ALA A 43 8.209 8.148 -26.240 1.00 52.04 H new ATOM 0 HB2 ALA A 43 8.056 8.628 -24.533 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.250 9.582 -25.800 1.00 52.04 H new ATOM 654 N PRO A 44 10.865 10.365 -27.562 1.00 54.23 N ATOM 655 CA PRO A 44 11.202 10.828 -28.897 1.00 32.32 C ATOM 656 C PRO A 44 10.778 9.806 -29.954 1.00 45.34 C ATOM 657 O PRO A 44 11.103 8.625 -29.848 1.00 73.41 O ATOM 658 CB PRO A 44 12.704 11.062 -28.865 1.00 53.35 C ATOM 659 CG PRO A 44 13.222 10.283 -27.666 1.00 23.34 C ATOM 660 CD PRO A 44 12.027 9.897 -26.810 1.00 50.12 C ATOM 0 HA PRO A 44 10.676 11.743 -29.171 1.00 32.32 H new ATOM 0 HB2 PRO A 44 13.173 10.717 -29.787 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.932 12.124 -28.769 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.761 9.394 -27.992 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.924 10.888 -27.092 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.987 8.820 -26.649 1.00 50.12 H new ATOM 0 HD3 PRO A 44 12.077 10.365 -25.827 1.00 50.12 H new ATOM 668 N GLY A 45 10.058 10.299 -30.952 1.00 22.12 N ATOM 669 CA GLY A 45 9.587 9.444 -32.028 1.00 73.44 C ATOM 670 C GLY A 45 8.173 8.933 -31.742 1.00 55.25 C ATOM 671 O GLY A 45 7.736 7.942 -32.328 1.00 72.31 O ATOM 0 H GLY A 45 9.790 11.279 -31.038 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.595 9.997 -32.967 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.265 8.599 -32.150 1.00 73.44 H new ATOM 675 N TYR A 46 7.497 9.631 -30.842 1.00 11.53 N ATOM 676 CA TYR A 46 6.141 9.259 -30.471 1.00 1.24 C ATOM 677 C TYR A 46 5.128 10.268 -31.017 1.00 3.31 C ATOM 678 O TYR A 46 5.492 11.388 -31.371 1.00 11.32 O ATOM 679 CB TYR A 46 6.099 9.287 -28.942 1.00 41.13 C ATOM 680 CG TYR A 46 4.812 8.717 -28.345 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.183 7.648 -28.952 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.279 9.270 -27.199 1.00 52.02 C ATOM 683 CE1 TYR A 46 2.972 7.110 -28.389 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.067 8.732 -26.636 1.00 32.21 C ATOM 685 CZ TYR A 46 2.473 7.679 -27.259 1.00 34.24 C ATOM 686 OH TYR A 46 1.329 7.172 -26.728 1.00 1.12 O ATOM 0 H TYR A 46 7.862 10.452 -30.359 1.00 11.53 H new ATOM 0 HA TYR A 46 5.886 8.280 -30.877 1.00 1.24 H new ATOM 0 HB2 TYR A 46 6.948 8.723 -28.555 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.219 10.316 -28.604 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.600 7.215 -29.850 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.770 10.106 -26.724 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.471 6.273 -28.854 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.640 9.155 -25.739 1.00 32.21 H new ATOM 0 HH TYR A 46 1.147 6.294 -27.122 1.00 1.12 H new ATOM 696 N SER A 47 3.877 9.834 -31.065 1.00 12.14 N ATOM 697 CA SER A 47 2.808 10.686 -31.561 1.00 63.25 C ATOM 698 C SER A 47 2.034 11.291 -30.388 1.00 53.23 C ATOM 699 O SER A 47 0.807 11.357 -30.418 1.00 5.24 O ATOM 700 CB SER A 47 1.862 9.906 -32.474 1.00 53.34 C ATOM 701 OG SER A 47 1.419 10.689 -33.579 1.00 2.34 O ATOM 0 H SER A 47 3.579 8.904 -30.769 1.00 12.14 H new ATOM 0 HA SER A 47 3.255 11.490 -32.146 1.00 63.25 H new ATOM 0 HB2 SER A 47 2.368 9.013 -32.842 1.00 53.34 H new ATOM 0 HB3 SER A 47 0.999 9.569 -31.899 1.00 53.34 H new ATOM 0 HG SER A 47 0.818 10.154 -34.139 1.00 2.34 H new ATOM 707 N TYR A 48 2.785 11.717 -29.382 1.00 51.45 N ATOM 708 CA TYR A 48 2.186 12.314 -28.202 1.00 53.45 C ATOM 709 C TYR A 48 1.063 13.280 -28.586 1.00 22.32 C ATOM 710 O TYR A 48 0.936 13.658 -29.750 1.00 41.51 O ATOM 711 CB TYR A 48 3.303 13.099 -27.512 1.00 50.11 C ATOM 712 CG TYR A 48 3.964 12.352 -26.352 1.00 52.33 C ATOM 713 CD1 TYR A 48 3.185 11.686 -25.427 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.338 12.343 -26.230 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.807 10.982 -24.335 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.960 11.639 -25.139 1.00 74.44 C ATOM 717 CZ TYR A 48 5.164 10.994 -24.245 1.00 60.15 C ATOM 718 OH TYR A 48 5.751 10.329 -23.214 1.00 3.35 O ATOM 0 H TYR A 48 3.803 11.660 -29.361 1.00 51.45 H new ATOM 0 HA TYR A 48 1.757 11.545 -27.559 1.00 53.45 H new ATOM 0 HB2 TYR A 48 4.065 13.351 -28.250 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.896 14.039 -27.140 1.00 50.11 H new ATOM 0 HD1 TYR A 48 2.109 11.693 -25.522 1.00 54.41 H new ATOM 0 HD2 TYR A 48 5.947 12.864 -26.953 1.00 33.34 H new ATOM 0 HE1 TYR A 48 3.210 10.457 -23.605 1.00 15.30 H new ATOM 0 HE2 TYR A 48 7.035 11.624 -25.033 1.00 74.44 H new ATOM 0 HH TYR A 48 6.725 10.422 -23.277 1.00 3.35 H new ATOM 728 N THR A 49 0.276 13.651 -27.586 1.00 35.11 N ATOM 729 CA THR A 49 -0.832 14.565 -27.805 1.00 64.22 C ATOM 730 C THR A 49 -0.366 16.014 -27.647 1.00 54.14 C ATOM 731 O THR A 49 0.578 16.290 -26.908 1.00 75.51 O ATOM 732 CB THR A 49 -1.959 14.181 -26.844 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.395 14.377 -25.551 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.281 12.686 -26.889 1.00 63.01 C ATOM 0 H THR A 49 0.384 13.335 -26.622 1.00 35.11 H new ATOM 0 HA THR A 49 -1.214 14.488 -28.823 1.00 64.22 H new ATOM 0 HB THR A 49 -2.855 14.753 -27.087 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.060 14.153 -24.867 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.087 12.466 -26.189 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.591 12.411 -27.897 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.395 12.114 -26.613 1.00 63.01 H new ATOM 742 N ALA A 50 -1.051 16.903 -28.351 1.00 24.34 N ATOM 743 CA ALA A 50 -0.720 18.317 -28.299 1.00 24.32 C ATOM 744 C ALA A 50 -0.844 18.811 -26.856 1.00 54.32 C ATOM 745 O ALA A 50 -0.313 19.865 -26.510 1.00 62.11 O ATOM 746 CB ALA A 50 -1.625 19.089 -29.261 1.00 42.13 C ATOM 0 H ALA A 50 -1.835 16.671 -28.961 1.00 24.34 H new ATOM 0 HA ALA A 50 0.309 18.483 -28.617 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.377 20.150 -29.222 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.477 18.719 -30.276 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -2.667 18.949 -28.972 1.00 42.13 H new ATOM 752 N ALA A 51 -1.549 18.026 -26.054 1.00 13.53 N ATOM 753 CA ALA A 51 -1.750 18.372 -24.657 1.00 20.33 C ATOM 754 C ALA A 51 -0.674 17.692 -23.809 1.00 71.23 C ATOM 755 O ALA A 51 -0.417 18.103 -22.678 1.00 42.11 O ATOM 756 CB ALA A 51 -3.165 17.975 -24.231 1.00 31.52 C ATOM 0 H ALA A 51 -1.988 17.152 -26.345 1.00 13.53 H new ATOM 0 HA ALA A 51 -1.655 19.448 -24.510 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.316 18.234 -23.183 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -3.892 18.506 -24.845 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.296 16.901 -24.361 1.00 31.52 H new ATOM 762 N ASN A 52 -0.072 16.663 -24.387 1.00 33.55 N ATOM 763 CA ASN A 52 0.971 15.922 -23.698 1.00 3.30 C ATOM 764 C ASN A 52 2.169 16.843 -23.454 1.00 32.21 C ATOM 765 O ASN A 52 2.847 16.728 -22.435 1.00 0.33 O ATOM 766 CB ASN A 52 1.449 14.735 -24.536 1.00 62.11 C ATOM 767 CG ASN A 52 2.594 13.997 -23.839 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.763 14.292 -24.027 1.00 73.55 O ATOM 769 ND2 ASN A 52 2.195 13.023 -23.027 1.00 24.25 N ATOM 0 H ASN A 52 -0.287 16.325 -25.325 1.00 33.55 H new ATOM 0 HA ASN A 52 0.559 15.556 -22.757 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.620 14.048 -24.707 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.779 15.085 -25.514 1.00 62.11 H new ATOM 0 HD21 ASN A 52 2.884 12.471 -22.516 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.200 12.828 -22.915 1.00 24.25 H new ATOM 776 N LYS A 53 2.393 17.733 -24.409 1.00 51.52 N ATOM 777 CA LYS A 53 3.497 18.673 -24.311 1.00 63.12 C ATOM 778 C LYS A 53 3.020 19.942 -23.602 1.00 71.04 C ATOM 779 O LYS A 53 3.709 20.464 -22.726 1.00 34.03 O ATOM 780 CB LYS A 53 4.103 18.932 -25.692 1.00 51.14 C ATOM 781 CG LYS A 53 4.434 17.618 -26.401 1.00 72.33 C ATOM 782 CD LYS A 53 3.344 17.248 -27.408 1.00 61.33 C ATOM 783 CE LYS A 53 3.713 17.722 -28.815 1.00 25.12 C ATOM 784 NZ LYS A 53 2.993 16.928 -29.835 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.829 17.823 -25.254 1.00 51.52 H new ATOM 0 HA LYS A 53 4.302 18.254 -23.707 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.404 19.510 -26.297 1.00 51.14 H new ATOM 0 HB3 LYS A 53 5.007 19.532 -25.589 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.392 17.709 -26.913 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.540 16.821 -25.665 1.00 72.33 H new ATOM 0 HD2 LYS A 53 3.198 16.168 -27.411 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.398 17.696 -27.106 1.00 61.33 H new ATOM 0 HE2 LYS A 53 3.465 18.778 -28.926 1.00 25.12 H new ATOM 0 HE3 LYS A 53 4.789 17.629 -28.966 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 3.255 17.263 -30.784 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 3.250 15.925 -29.739 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 1.968 17.038 -29.700 1.00 11.21 H new ATOM 797 N ASN A 54 1.845 20.402 -24.005 1.00 23.11 N ATOM 798 CA ASN A 54 1.269 21.599 -23.418 1.00 62.43 C ATOM 799 C ASN A 54 1.515 21.591 -21.908 1.00 74.05 C ATOM 800 O ASN A 54 2.153 22.498 -21.375 1.00 24.23 O ATOM 801 CB ASN A 54 -0.243 21.653 -23.650 1.00 40.12 C ATOM 802 CG ASN A 54 -0.737 23.099 -23.707 1.00 73.51 C ATOM 803 OD1 ASN A 54 -0.608 23.866 -22.766 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.310 23.430 -24.860 1.00 32.23 N ATOM 0 H ASN A 54 1.276 19.967 -24.731 1.00 23.11 H new ATOM 0 HA ASN A 54 1.738 22.464 -23.888 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.490 21.143 -24.581 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -0.757 21.121 -22.849 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -1.673 24.373 -24.997 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -1.386 22.741 -25.608 1.00 32.23 H new ATOM 811 N LYS A 55 0.997 20.558 -21.261 1.00 72.24 N ATOM 812 CA LYS A 55 1.153 20.419 -19.823 1.00 1.14 C ATOM 813 C LYS A 55 2.575 20.822 -19.428 1.00 53.42 C ATOM 814 O LYS A 55 2.801 21.939 -18.963 1.00 12.22 O ATOM 815 CB LYS A 55 0.765 19.009 -19.375 1.00 73.04 C ATOM 816 CG LYS A 55 -0.739 18.909 -19.115 1.00 64.50 C ATOM 817 CD LYS A 55 -1.170 19.877 -18.011 1.00 75.50 C ATOM 818 CE LYS A 55 -0.131 19.926 -16.889 1.00 64.34 C ATOM 819 NZ LYS A 55 -0.752 20.394 -15.629 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.468 19.808 -21.707 1.00 72.24 H new ATOM 0 HA LYS A 55 0.474 21.091 -19.299 1.00 1.14 H new ATOM 0 HB2 LYS A 55 1.054 18.288 -20.140 1.00 73.04 H new ATOM 0 HB3 LYS A 55 1.312 18.748 -18.469 1.00 73.04 H new ATOM 0 HG2 LYS A 55 -1.286 19.130 -20.032 1.00 64.50 H new ATOM 0 HG3 LYS A 55 -0.995 17.889 -18.830 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.306 20.874 -18.429 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -2.133 19.567 -17.606 1.00 75.50 H new ATOM 0 HE2 LYS A 55 0.302 18.936 -16.743 1.00 64.34 H new ATOM 0 HE3 LYS A 55 0.685 20.593 -17.169 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -0.034 20.422 -14.877 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -1.144 21.347 -15.768 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 -1.515 19.742 -15.355 1.00 3.42 H new ATOM 832 N GLY A 56 3.496 19.891 -19.626 1.00 41.10 N ATOM 833 CA GLY A 56 4.889 20.135 -19.296 1.00 23.55 C ATOM 834 C GLY A 56 5.095 20.177 -17.780 1.00 73.03 C ATOM 835 O GLY A 56 5.317 21.244 -17.210 1.00 71.12 O ATOM 0 H GLY A 56 3.305 18.966 -20.011 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.511 19.352 -19.729 1.00 23.55 H new ATOM 0 HA3 GLY A 56 5.211 21.079 -19.736 1.00 23.55 H new ATOM 839 N ILE A 57 5.012 19.003 -17.171 1.00 34.25 N ATOM 840 CA ILE A 57 5.187 18.893 -15.733 1.00 4.20 C ATOM 841 C ILE A 57 6.162 17.754 -15.427 1.00 44.42 C ATOM 842 O ILE A 57 6.637 17.078 -16.338 1.00 10.04 O ATOM 843 CB ILE A 57 3.831 18.745 -15.039 1.00 10.34 C ATOM 844 CG1 ILE A 57 2.893 17.852 -15.853 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.212 20.113 -14.748 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.331 16.388 -15.785 1.00 51.13 C ATOM 0 H ILE A 57 4.826 18.120 -17.647 1.00 34.25 H new ATOM 0 HA ILE A 57 5.627 19.806 -15.332 1.00 4.20 H new ATOM 0 HB ILE A 57 3.990 18.253 -14.079 1.00 10.34 H new ATOM 0 HG12 ILE A 57 1.875 17.948 -15.475 1.00 23.30 H new ATOM 0 HG13 ILE A 57 2.880 18.183 -16.891 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.249 19.979 -14.255 1.00 35.13 H new ATOM 0 HG22 ILE A 57 3.877 20.682 -14.098 1.00 35.13 H new ATOM 0 HG23 ILE A 57 3.068 20.654 -15.683 1.00 35.13 H new ATOM 0 HD11 ILE A 57 2.647 15.776 -16.372 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.340 16.291 -16.186 1.00 51.13 H new ATOM 0 HD13 ILE A 57 3.319 16.052 -14.748 1.00 51.13 H new ATOM 858 N ILE A 58 6.430 17.576 -14.142 1.00 31.21 N ATOM 859 CA ILE A 58 7.340 16.531 -13.705 1.00 43.43 C ATOM 860 C ILE A 58 6.536 15.393 -13.072 1.00 60.14 C ATOM 861 O ILE A 58 5.981 15.550 -11.986 1.00 21.20 O ATOM 862 CB ILE A 58 8.417 17.109 -12.784 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.162 18.257 -13.467 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.371 16.013 -12.301 1.00 60.01 C ATOM 865 CD1 ILE A 58 10.348 17.734 -14.281 1.00 11.43 C ATOM 0 H ILE A 58 6.033 18.138 -13.389 1.00 31.21 H new ATOM 0 HA ILE A 58 7.874 16.110 -14.557 1.00 43.43 H new ATOM 0 HB ILE A 58 7.928 17.522 -11.902 1.00 45.12 H new ATOM 0 HG12 ILE A 58 8.479 18.800 -14.120 1.00 53.42 H new ATOM 0 HG13 ILE A 58 9.515 18.964 -12.716 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.127 16.450 -11.648 1.00 60.01 H new ATOM 0 HG22 ILE A 58 8.809 15.258 -11.751 1.00 60.01 H new ATOM 0 HG23 ILE A 58 9.857 15.550 -13.159 1.00 60.01 H new ATOM 0 HD11 ILE A 58 10.860 18.571 -14.756 1.00 11.43 H new ATOM 0 HD12 ILE A 58 11.041 17.212 -13.621 1.00 11.43 H new ATOM 0 HD13 ILE A 58 9.989 17.046 -15.047 1.00 11.43 H new ATOM 877 N TRP A 59 6.499 14.274 -13.779 1.00 42.03 N ATOM 878 CA TRP A 59 5.773 13.109 -13.300 1.00 53.42 C ATOM 879 C TRP A 59 6.450 12.624 -12.017 1.00 35.14 C ATOM 880 O TRP A 59 7.606 12.955 -11.758 1.00 11.40 O ATOM 881 CB TRP A 59 5.694 12.029 -14.380 1.00 61.43 C ATOM 882 CG TRP A 59 4.919 12.454 -15.630 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.337 12.448 -16.902 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.564 12.949 -15.674 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.356 12.901 -17.760 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.243 13.216 -16.989 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.640 13.165 -14.636 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.997 13.714 -17.389 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.399 13.662 -15.052 1.00 15.13 C ATOM 890 CH2 TRP A 59 1.061 13.936 -16.372 1.00 21.05 C ATOM 0 H TRP A 59 6.960 14.148 -14.680 1.00 42.03 H new ATOM 0 HA TRP A 59 4.739 13.367 -13.071 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.706 11.746 -14.671 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.224 11.141 -13.958 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.319 12.128 -17.217 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.433 12.989 -18.773 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.870 12.963 -13.600 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.770 13.916 -18.426 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.652 13.845 -14.294 1.00 15.13 H new ATOM 0 HH2 TRP A 59 0.080 14.319 -16.612 1.00 21.05 H new ATOM 901 N GLY A 60 5.701 11.847 -11.249 1.00 53.12 N ATOM 902 CA GLY A 60 6.216 11.312 -9.998 1.00 65.12 C ATOM 903 C GLY A 60 5.103 10.638 -9.192 1.00 54.35 C ATOM 904 O GLY A 60 4.284 9.909 -9.747 1.00 52.13 O ATOM 0 H GLY A 60 4.743 11.575 -11.467 1.00 53.12 H new ATOM 0 HA2 GLY A 60 7.008 10.592 -10.205 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.661 12.115 -9.410 1.00 65.12 H new ATOM 908 N GLU A 61 5.111 10.907 -7.895 1.00 1.21 N ATOM 909 CA GLU A 61 4.114 10.337 -7.006 1.00 74.52 C ATOM 910 C GLU A 61 2.893 11.254 -6.920 1.00 21.13 C ATOM 911 O GLU A 61 1.756 10.787 -6.968 1.00 72.12 O ATOM 912 CB GLU A 61 4.702 10.074 -5.618 1.00 44.23 C ATOM 913 CG GLU A 61 5.909 9.138 -5.701 1.00 1.31 C ATOM 914 CD GLU A 61 6.916 9.440 -4.590 1.00 23.15 C ATOM 915 OE1 GLU A 61 6.554 9.427 -3.405 1.00 64.15 O ATOM 916 OE2 GLU A 61 8.114 9.696 -4.995 1.00 43.33 O1- ATOM 0 H GLU A 61 5.793 11.513 -7.438 1.00 1.21 H new ATOM 0 HA GLU A 61 3.796 9.379 -7.416 1.00 74.52 H new ATOM 0 HB2 GLU A 61 5.000 11.018 -5.161 1.00 44.23 H new ATOM 0 HB3 GLU A 61 3.940 9.634 -4.974 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.577 8.103 -5.624 1.00 1.31 H new ATOM 0 HG3 GLU A 61 6.391 9.246 -6.673 1.00 1.31 H new ATOM 924 N ASP A 62 3.168 12.544 -6.793 1.00 52.34 N ATOM 925 CA ASP A 62 2.107 13.531 -6.700 1.00 22.22 C ATOM 926 C ASP A 62 1.513 13.768 -8.090 1.00 44.15 C ATOM 927 O ASP A 62 0.363 13.417 -8.346 1.00 22.13 O ATOM 928 CB ASP A 62 2.641 14.867 -6.179 1.00 1.41 C ATOM 929 CG ASP A 62 2.736 14.977 -4.657 1.00 52.20 C ATOM 930 OD1 ASP A 62 3.828 14.881 -4.077 1.00 2.01 O ATOM 931 OD2 ASP A 62 1.613 15.170 -4.052 1.00 21.24 O1- ATOM 0 H ASP A 62 4.112 12.928 -6.752 1.00 52.34 H new ATOM 0 HA ASP A 62 1.353 13.151 -6.011 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.631 15.035 -6.603 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.997 15.666 -6.546 1.00 1.41 H new ATOM 937 N THR A 63 2.325 14.363 -8.952 1.00 72.52 N ATOM 938 CA THR A 63 1.895 14.651 -10.309 1.00 21.51 C ATOM 939 C THR A 63 1.043 13.503 -10.854 1.00 21.32 C ATOM 940 O THR A 63 0.156 13.720 -11.678 1.00 40.52 O ATOM 941 CB THR A 63 3.140 14.935 -11.150 1.00 0.41 C ATOM 942 OG1 THR A 63 4.101 13.996 -10.674 1.00 52.45 O ATOM 943 CG2 THR A 63 3.762 16.297 -10.835 1.00 31.44 C ATOM 0 H THR A 63 3.279 14.653 -8.736 1.00 72.52 H new ATOM 0 HA THR A 63 1.255 15.533 -10.342 1.00 21.51 H new ATOM 0 HB THR A 63 2.881 14.891 -12.208 1.00 0.41 H new ATOM 0 HG1 THR A 63 5.004 14.337 -10.844 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.642 16.448 -11.460 1.00 31.44 H new ATOM 0 HG22 THR A 63 3.035 17.084 -11.036 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.052 16.330 -9.785 1.00 31.44 H new ATOM 951 N LEU A 64 1.342 12.306 -10.371 1.00 13.22 N ATOM 952 CA LEU A 64 0.614 11.123 -10.798 1.00 63.53 C ATOM 953 C LEU A 64 -0.744 11.083 -10.094 1.00 64.34 C ATOM 954 O LEU A 64 -1.785 11.053 -10.749 1.00 55.10 O ATOM 955 CB LEU A 64 1.459 9.866 -10.578 1.00 44.42 C ATOM 956 CG LEU A 64 2.482 9.547 -11.670 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.182 8.215 -11.391 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.834 9.576 -13.055 1.00 52.11 C ATOM 0 H LEU A 64 2.079 12.130 -9.688 1.00 13.22 H new ATOM 0 HA LEU A 64 0.416 11.163 -11.869 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.988 9.969 -9.631 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.787 9.014 -10.477 1.00 44.42 H new ATOM 0 HG LEU A 64 3.248 10.322 -11.658 1.00 60.21 H new ATOM 0 HD11 LEU A 64 3.904 8.011 -12.181 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.699 8.269 -10.433 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.442 7.415 -11.360 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.583 9.346 -13.812 1.00 52.11 H new ATOM 0 HD22 LEU A 64 1.035 8.836 -13.098 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.421 10.567 -13.243 1.00 52.11 H new ATOM 970 N MET A 65 -0.689 11.084 -8.771 1.00 33.24 N ATOM 971 CA MET A 65 -1.902 11.048 -7.971 1.00 54.13 C ATOM 972 C MET A 65 -2.827 12.213 -8.326 1.00 25.33 C ATOM 973 O MET A 65 -4.012 12.193 -7.995 1.00 22.02 O ATOM 974 CB MET A 65 -1.538 11.118 -6.487 1.00 42.51 C ATOM 975 CG MET A 65 -1.075 9.753 -5.971 1.00 50.02 C ATOM 976 SD MET A 65 -1.287 9.666 -4.201 1.00 13.13 S ATOM 977 CE MET A 65 -2.907 8.921 -4.119 1.00 15.21 C ATOM 0 H MET A 65 0.177 11.109 -8.232 1.00 33.24 H new ATOM 0 HA MET A 65 -2.426 10.116 -8.181 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.749 11.854 -6.337 1.00 42.51 H new ATOM 0 HB3 MET A 65 -2.401 11.454 -5.913 1.00 42.51 H new ATOM 0 HG2 MET A 65 -1.646 8.960 -6.453 1.00 50.02 H new ATOM 0 HG3 MET A 65 -0.028 9.594 -6.228 1.00 50.02 H new ATOM 0 HE1 MET A 65 -3.561 9.539 -3.504 1.00 15.21 H new ATOM 0 HE2 MET A 65 -3.322 8.842 -5.124 1.00 15.21 H new ATOM 0 HE3 MET A 65 -2.828 7.927 -3.680 1.00 15.21 H new ATOM 987 N GLU A 66 -2.252 13.203 -8.994 1.00 74.14 N ATOM 988 CA GLU A 66 -3.010 14.375 -9.396 1.00 73.33 C ATOM 989 C GLU A 66 -3.563 14.189 -10.810 1.00 2.43 C ATOM 990 O GLU A 66 -4.527 14.849 -11.195 1.00 72.31 O ATOM 991 CB GLU A 66 -2.154 15.639 -9.304 1.00 53.20 C ATOM 992 CG GLU A 66 -3.027 16.877 -9.084 1.00 12.14 C ATOM 993 CD GLU A 66 -3.517 16.951 -7.636 1.00 45.11 C ATOM 994 OE1 GLU A 66 -4.569 17.551 -7.368 1.00 41.11 O ATOM 995 OE2 GLU A 66 -2.764 16.355 -6.774 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.269 13.217 -9.267 1.00 74.14 H new ATOM 0 HA GLU A 66 -3.850 14.494 -8.711 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.442 15.541 -8.485 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.573 15.757 -10.219 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -2.459 17.775 -9.326 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -3.882 16.849 -9.760 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.929 13.287 -11.546 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.346 13.006 -12.909 1.00 3.25 C ATOM 1005 C TYR A 67 -4.400 11.898 -12.943 1.00 54.14 C ATOM 1006 O TYR A 67 -5.448 12.053 -13.569 1.00 20.25 O ATOM 1007 CB TYR A 67 -2.093 12.524 -13.642 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.357 12.026 -15.064 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.860 12.889 -16.016 1.00 64.21 C ATOM 1010 CD2 TYR A 67 -2.091 10.712 -15.396 1.00 40.42 C ATOM 1011 CE1 TYR A 67 -3.109 12.420 -17.355 1.00 44.34 C ATOM 1012 CE2 TYR A 67 -2.340 10.243 -16.735 1.00 20.05 C ATOM 1013 CZ TYR A 67 -2.836 11.121 -17.648 1.00 2.03 C ATOM 1014 OH TYR A 67 -3.072 10.678 -18.913 1.00 60.35 O ATOM 0 H TYR A 67 -2.130 12.742 -11.224 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.783 13.893 -13.367 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.371 13.340 -13.682 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.634 11.720 -13.066 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -3.067 13.917 -15.757 1.00 64.21 H new ATOM 0 HD2 TYR A 67 -1.696 10.036 -14.652 1.00 40.42 H new ATOM 0 HE1 TYR A 67 -3.504 13.085 -18.109 1.00 44.34 H new ATOM 0 HE2 TYR A 67 -2.138 9.218 -17.008 1.00 20.05 H new ATOM 0 HH TYR A 67 -2.984 9.702 -18.940 1.00 60.35 H new ATOM 1024 N LEU A 68 -4.087 10.806 -12.261 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.996 9.673 -12.205 1.00 1.14 C ATOM 1026 C LEU A 68 -6.400 10.167 -11.855 1.00 70.03 C ATOM 1027 O LEU A 68 -7.378 9.763 -12.482 1.00 54.01 O ATOM 1028 CB LEU A 68 -4.462 8.605 -11.247 1.00 71.15 C ATOM 1029 CG LEU A 68 -3.305 7.752 -11.772 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -3.825 6.496 -12.473 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -2.383 8.573 -12.676 1.00 54.34 C ATOM 0 H LEU A 68 -3.217 10.681 -11.743 1.00 23.24 H new ATOM 0 HA LEU A 68 -5.063 9.190 -13.180 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -4.138 9.097 -10.330 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -5.284 7.941 -10.979 1.00 71.15 H new ATOM 0 HG LEU A 68 -2.710 7.423 -10.920 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -2.983 5.907 -12.837 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -4.407 5.901 -11.769 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -4.457 6.784 -13.314 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -1.570 7.942 -13.035 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -2.950 8.952 -13.526 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -1.971 9.410 -12.112 1.00 54.34 H new ATOM 1043 N GLU A 69 -6.455 11.033 -10.854 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.724 11.587 -10.412 1.00 44.21 C ATOM 1045 C GLU A 69 -8.598 11.940 -11.618 1.00 21.20 C ATOM 1046 O GLU A 69 -9.792 11.646 -11.631 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.508 12.807 -9.516 1.00 23.33 C ATOM 1048 CG GLU A 69 -7.352 14.080 -10.350 1.00 33.31 C ATOM 1049 CD GLU A 69 -7.073 15.290 -9.457 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -7.863 16.246 -9.441 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -5.989 15.215 -8.761 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.641 11.365 -10.336 1.00 20.13 H new ATOM 0 HA GLU A 69 -8.242 10.831 -9.821 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -8.352 12.916 -8.834 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.619 12.659 -8.902 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -6.537 13.954 -11.063 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -8.259 14.253 -10.930 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.967 12.566 -12.601 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.672 12.963 -13.809 1.00 10.35 C ATOM 1061 C ASN A 70 -7.657 13.249 -14.916 1.00 50.13 C ATOM 1062 O ASN A 70 -7.189 14.378 -15.058 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.489 14.235 -13.576 1.00 54.31 C ATOM 1064 CG ASN A 70 -10.895 13.901 -13.072 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -11.155 13.830 -11.882 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -11.783 13.700 -14.041 1.00 64.01 N ATOM 0 H ASN A 70 -6.976 12.808 -12.586 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.342 12.151 -14.091 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -8.980 14.870 -12.851 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.557 14.803 -14.504 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -12.749 13.471 -13.808 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -11.498 13.775 -15.018 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.337 12.180 -15.693 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.385 12.304 -16.783 1.00 62.33 C ATOM 1075 C PRO A 71 -7.011 13.027 -17.977 1.00 21.13 C ATOM 1076 O PRO A 71 -6.304 13.624 -18.787 1.00 13.34 O ATOM 1077 CB PRO A 71 -5.967 10.879 -17.106 1.00 51.50 C ATOM 1078 CG PRO A 71 -7.039 9.984 -16.506 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.871 10.827 -15.554 1.00 43.43 C ATOM 0 HA PRO A 71 -5.518 12.908 -16.517 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -5.891 10.729 -18.183 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -4.988 10.654 -16.683 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.667 9.562 -17.291 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.585 9.146 -15.977 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.929 10.790 -15.814 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.782 10.470 -14.528 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.332 12.952 -18.049 1.00 52.22 N ATOM 1088 CA LYS A 72 -9.061 13.592 -19.130 1.00 43.01 C ATOM 1089 C LYS A 72 -9.026 15.109 -18.934 1.00 54.30 C ATOM 1090 O LYS A 72 -9.078 15.864 -19.904 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.476 13.019 -19.236 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.342 13.476 -18.060 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.402 12.427 -17.720 1.00 21.22 C ATOM 1094 CE LYS A 72 -13.475 12.357 -18.809 1.00 74.53 C ATOM 1095 NZ LYS A 72 -14.167 13.659 -18.939 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.917 12.457 -17.375 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.584 13.382 -20.087 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.932 13.338 -20.173 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.431 11.930 -19.257 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -10.712 13.658 -17.189 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -11.826 14.421 -18.306 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -11.930 11.451 -17.607 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.865 12.670 -16.764 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -13.019 12.084 -19.761 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -14.197 11.577 -18.567 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -14.903 13.589 -19.670 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -14.605 13.912 -18.030 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -13.480 14.392 -19.208 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.939 15.509 -17.675 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.895 16.922 -17.340 1.00 14.10 C ATOM 1110 C LYS A 73 -7.443 17.402 -17.354 1.00 65.14 C ATOM 1111 O LYS A 73 -7.076 18.260 -18.156 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.615 17.182 -16.015 1.00 44.31 C ATOM 1113 CG LYS A 73 -10.982 16.495 -15.991 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.869 16.999 -17.132 1.00 21.13 C ATOM 1115 CE LYS A 73 -13.349 16.920 -16.753 1.00 32.30 C ATOM 1116 NZ LYS A 73 -13.721 15.530 -16.405 1.00 11.51 N1+ ATOM 0 H LYS A 73 -8.898 14.879 -16.874 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.431 17.506 -18.088 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.006 16.817 -15.188 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -9.740 18.255 -15.869 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -10.852 15.416 -16.076 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.471 16.683 -15.035 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.606 18.029 -17.374 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.687 16.405 -18.028 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.550 17.579 -15.908 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -13.962 17.270 -17.583 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -14.725 15.374 -16.626 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -13.138 14.867 -16.954 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -13.562 15.372 -15.390 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.655 16.827 -16.457 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.249 17.185 -16.356 1.00 13.35 C ATOM 1131 C TYR A 74 -4.647 17.432 -17.741 1.00 21.32 C ATOM 1132 O TYR A 74 -3.995 18.452 -17.965 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.553 15.982 -15.717 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.172 16.297 -15.140 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -2.113 16.558 -15.986 1.00 53.12 C ATOM 1136 CD2 TYR A 74 -2.985 16.322 -13.772 1.00 25.24 C ATOM 1137 CE1 TYR A 74 -0.813 16.854 -15.441 1.00 44.42 C ATOM 1138 CE2 TYR A 74 -1.685 16.619 -13.229 1.00 2.04 C ATOM 1139 CZ TYR A 74 -0.663 16.870 -14.090 1.00 54.11 C ATOM 1140 OH TYR A 74 0.564 17.151 -13.576 1.00 35.30 O ATOM 0 H TYR A 74 -6.963 16.116 -15.794 1.00 0.35 H new ATOM 0 HA TYR A 74 -5.125 18.097 -15.773 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -5.187 15.589 -14.922 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.453 15.194 -16.464 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -2.259 16.540 -17.056 1.00 53.12 H new ATOM 0 HD2 TYR A 74 -3.814 16.119 -13.110 1.00 25.24 H new ATOM 0 HE1 TYR A 74 0.024 17.059 -16.092 1.00 44.42 H new ATOM 0 HE2 TYR A 74 -1.525 16.642 -12.161 1.00 2.04 H new ATOM 0 HH TYR A 74 0.522 17.128 -12.597 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.884 16.482 -18.633 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.372 16.584 -19.989 1.00 45.04 C ATOM 1152 C ILE A 75 -5.545 16.692 -20.966 1.00 31.42 C ATOM 1153 O ILE A 75 -6.059 15.679 -21.439 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.424 15.423 -20.293 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.466 15.177 -19.125 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.677 15.653 -21.609 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.588 13.951 -19.385 1.00 44.21 C ATOM 0 H ILE A 75 -5.424 15.638 -18.443 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.776 17.490 -20.104 1.00 45.04 H new ATOM 0 HB ILE A 75 -4.021 14.519 -20.416 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -1.837 16.054 -18.975 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -3.036 15.033 -18.207 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.010 14.812 -21.800 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.395 15.740 -22.425 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.093 16.571 -21.540 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.917 13.799 -18.540 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -2.219 13.071 -19.510 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -1.002 14.109 -20.290 1.00 44.21 H new ATOM 1169 N PRO A 76 -5.945 17.961 -21.246 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.047 18.214 -22.158 1.00 71.30 C ATOM 1171 C PRO A 76 -6.621 17.991 -23.609 1.00 33.42 C ATOM 1172 O PRO A 76 -5.704 18.650 -24.100 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.469 19.647 -21.875 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.298 20.293 -21.153 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.360 19.185 -20.705 1.00 71.25 C ATOM 0 HA PRO A 76 -7.882 17.530 -22.009 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -7.697 20.177 -22.800 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.369 19.675 -21.261 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -5.780 20.989 -21.813 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.648 20.867 -20.295 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.351 19.343 -21.085 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.288 19.143 -19.618 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.305 17.060 -24.257 1.00 72.13 N ATOM 1184 CA GLY A 77 -7.009 16.742 -25.644 1.00 33.14 C ATOM 1185 C GLY A 77 -6.299 15.391 -25.757 1.00 34.12 C ATOM 1186 O GLY A 77 -5.813 15.029 -26.827 1.00 30.24 O ATOM 0 H GLY A 77 -8.064 16.515 -23.847 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -7.933 16.721 -26.221 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.383 17.523 -26.074 1.00 33.14 H new ATOM 1190 N THR A 78 -6.263 14.683 -24.638 1.00 72.54 N ATOM 1191 CA THR A 78 -5.621 13.379 -24.598 1.00 22.21 C ATOM 1192 C THR A 78 -6.553 12.308 -25.165 1.00 2.52 C ATOM 1193 O THR A 78 -7.704 12.592 -25.496 1.00 4.33 O ATOM 1194 CB THR A 78 -5.191 13.108 -23.154 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.602 11.813 -23.206 1.00 2.22 O ATOM 1196 CG2 THR A 78 -6.384 12.938 -22.211 1.00 64.23 C ATOM 0 H THR A 78 -6.668 14.987 -23.752 1.00 72.54 H new ATOM 0 HA THR A 78 -4.731 13.357 -25.227 1.00 22.21 H new ATOM 0 HB THR A 78 -4.564 13.927 -22.801 1.00 14.31 H new ATOM 0 HG1 THR A 78 -4.293 11.558 -22.312 1.00 2.22 H new ATOM 0 HG21 THR A 78 -6.024 12.748 -21.200 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.985 13.847 -22.217 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.994 12.098 -22.543 1.00 64.23 H new ATOM 1204 N LYS A 79 -6.024 11.098 -25.261 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.794 9.982 -25.784 1.00 42.52 C ATOM 1206 C LYS A 79 -7.153 9.035 -24.637 1.00 41.14 C ATOM 1207 O LYS A 79 -8.200 8.390 -24.665 1.00 0.42 O ATOM 1208 CB LYS A 79 -6.043 9.303 -26.931 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.577 9.066 -26.563 1.00 62.22 C ATOM 1210 CD LYS A 79 -3.708 10.251 -26.985 1.00 44.22 C ATOM 1211 CE LYS A 79 -3.080 10.009 -28.359 1.00 74.45 C ATOM 1212 NZ LYS A 79 -2.421 8.684 -28.402 1.00 73.00 N1+ ATOM 0 H LYS A 79 -5.070 10.865 -24.985 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.732 10.334 -26.213 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.520 8.352 -27.170 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -6.101 9.923 -27.826 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -4.489 8.910 -25.488 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -4.219 8.157 -27.047 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -4.312 11.158 -27.012 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -2.923 10.412 -26.246 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -3.847 10.065 -29.131 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -2.352 10.791 -28.575 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -1.578 8.735 -29.009 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -2.139 8.405 -27.441 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -3.082 7.980 -28.787 1.00 73.00 H new ATOM 1225 N MET A 80 -6.263 8.981 -23.656 1.00 72.20 N ATOM 1226 CA MET A 80 -6.473 8.123 -22.502 1.00 50.41 C ATOM 1227 C MET A 80 -7.939 8.145 -22.062 1.00 72.11 C ATOM 1228 O MET A 80 -8.473 9.199 -21.723 1.00 14.12 O ATOM 1229 CB MET A 80 -5.586 8.594 -21.348 1.00 3.55 C ATOM 1230 CG MET A 80 -5.241 7.434 -20.413 1.00 30.15 C ATOM 1231 SD MET A 80 -3.754 7.807 -19.499 1.00 1.13 S ATOM 1232 CE MET A 80 -4.358 7.614 -17.830 1.00 62.42 C ATOM 0 H MET A 80 -5.396 9.517 -23.637 1.00 72.20 H new ATOM 0 HA MET A 80 -6.212 7.102 -22.779 1.00 50.41 H new ATOM 0 HB2 MET A 80 -4.670 9.031 -21.744 1.00 3.55 H new ATOM 0 HB3 MET A 80 -6.097 9.377 -20.788 1.00 3.55 H new ATOM 0 HG2 MET A 80 -6.066 7.254 -19.724 1.00 30.15 H new ATOM 0 HG3 MET A 80 -5.103 6.520 -20.990 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.517 7.618 -17.136 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.032 8.437 -17.589 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.894 6.669 -17.744 1.00 62.42 H new ATOM 1242 N ILE A 81 -8.547 6.968 -22.082 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.939 6.838 -21.689 1.00 23.44 C ATOM 1244 C ILE A 81 -10.020 6.120 -20.340 1.00 45.24 C ATOM 1245 O ILE A 81 -10.538 5.009 -20.255 1.00 72.32 O ATOM 1246 CB ILE A 81 -10.748 6.158 -22.796 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -10.617 6.920 -24.117 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -12.208 5.981 -22.379 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.784 8.425 -23.901 1.00 54.13 C ATOM 0 H ILE A 81 -8.100 6.096 -22.364 1.00 13.21 H new ATOM 0 HA ILE A 81 -10.389 7.822 -21.555 1.00 23.44 H new ATOM 0 HB ILE A 81 -10.337 5.161 -22.956 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -9.642 6.719 -24.562 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -11.369 6.565 -24.822 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -12.760 5.496 -23.184 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -12.258 5.365 -21.481 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -12.649 6.957 -22.174 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -10.686 8.943 -24.855 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.769 8.625 -23.479 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -10.016 8.782 -23.215 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.498 6.785 -19.320 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.504 6.226 -17.980 1.00 45.32 C ATOM 1263 C PHE A 82 -10.384 7.055 -17.042 1.00 15.33 C ATOM 1264 O PHE A 82 -10.306 8.283 -17.037 1.00 42.22 O ATOM 1265 CB PHE A 82 -8.062 6.264 -17.472 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.820 5.421 -16.219 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -8.232 4.125 -16.179 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -7.194 5.968 -15.141 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -8.008 3.343 -15.015 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.971 5.186 -13.978 1.00 71.25 C ATOM 1271 CZ PHE A 82 -7.382 3.889 -13.939 1.00 22.42 C ATOM 0 H PHE A 82 -9.068 7.707 -19.395 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.901 5.211 -18.004 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -7.399 5.916 -18.265 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.790 7.298 -17.260 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -8.730 3.691 -17.033 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -6.867 6.997 -15.171 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -8.335 2.314 -14.985 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -6.475 5.620 -13.123 1.00 71.25 H new ATOM 0 HZ PHE A 82 -7.211 3.294 -13.054 1.00 22.42 H new ATOM 1281 N VAL A 83 -11.202 6.352 -16.272 1.00 43.41 N ATOM 1282 CA VAL A 83 -12.095 7.008 -15.333 1.00 44.03 C ATOM 1283 C VAL A 83 -11.281 7.558 -14.161 1.00 4.21 C ATOM 1284 O VAL A 83 -11.765 8.400 -13.405 1.00 54.11 O ATOM 1285 CB VAL A 83 -13.196 6.040 -14.895 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -14.419 6.798 -14.378 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -13.579 5.093 -16.034 1.00 35.41 C ATOM 0 H VAL A 83 -11.265 5.334 -16.280 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.594 7.853 -15.807 1.00 44.03 H new ATOM 0 HB VAL A 83 -12.805 5.437 -14.075 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -15.186 6.086 -14.073 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -14.133 7.411 -13.523 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -14.811 7.438 -15.168 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -14.363 4.416 -15.696 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -13.941 5.673 -16.883 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -12.706 4.515 -16.336 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.059 7.061 -14.046 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.172 7.492 -12.978 1.00 52.24 C ATOM 1299 C GLY A 84 -9.339 6.612 -11.737 1.00 70.24 C ATOM 1300 O GLY A 84 -9.870 5.506 -11.824 1.00 15.11 O ATOM 0 H GLY A 84 -9.661 6.363 -14.675 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.138 7.451 -13.321 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -9.382 8.531 -12.723 1.00 52.24 H new ATOM 1304 N ILE A 85 -8.876 7.137 -10.612 1.00 33.41 N ATOM 1305 CA ILE A 85 -8.968 6.412 -9.356 1.00 44.34 C ATOM 1306 C ILE A 85 -9.259 7.400 -8.223 1.00 34.42 C ATOM 1307 O ILE A 85 -8.726 8.508 -8.209 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.711 5.572 -9.130 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.530 4.545 -10.250 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -7.731 4.915 -7.748 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.178 3.837 -10.131 1.00 62.43 C ATOM 0 H ILE A 85 -8.436 8.055 -10.544 1.00 33.41 H new ATOM 0 HA ILE A 85 -9.796 5.704 -9.384 1.00 44.34 H new ATOM 0 HB ILE A 85 -6.847 6.236 -9.158 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -8.334 3.810 -10.208 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.601 5.041 -11.218 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -6.825 4.323 -7.613 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -7.778 5.686 -6.979 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.603 4.267 -7.666 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -6.074 3.112 -10.939 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.375 4.572 -10.197 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -6.120 3.322 -9.172 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.105 6.961 -7.302 1.00 65.04 N ATOM 1324 CA LYS A 86 -10.473 7.793 -6.169 1.00 4.54 C ATOM 1325 C LYS A 86 -9.762 7.281 -4.915 1.00 23.40 C ATOM 1326 O LYS A 86 -9.133 8.056 -4.195 1.00 42.24 O ATOM 1327 CB LYS A 86 -11.995 7.861 -6.027 1.00 51.42 C ATOM 1328 CG LYS A 86 -12.622 8.612 -7.204 1.00 2.32 C ATOM 1329 CD LYS A 86 -12.737 7.709 -8.433 1.00 43.02 C ATOM 1330 CE LYS A 86 -13.674 8.318 -9.477 1.00 63.30 C ATOM 1331 NZ LYS A 86 -15.087 8.087 -9.101 1.00 13.13 N1+ ATOM 0 H LYS A 86 -10.545 6.041 -7.317 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.144 8.820 -6.327 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.404 6.852 -5.975 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.255 8.359 -5.093 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -13.610 8.976 -6.922 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -12.017 9.486 -7.446 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -11.750 7.557 -8.870 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -13.108 6.729 -8.134 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -13.485 9.388 -9.564 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -13.475 7.878 -10.454 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -15.709 8.431 -9.860 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -15.246 7.069 -8.957 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -15.300 8.598 -8.221 1.00 13.13 H new ATOM 1344 N LYS A 87 -9.883 5.982 -4.692 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.260 5.358 -3.537 1.00 74.32 C ATOM 1346 C LYS A 87 -7.790 5.779 -3.467 1.00 52.11 C ATOM 1347 O LYS A 87 -6.993 5.410 -4.328 1.00 61.33 O ATOM 1348 CB LYS A 87 -9.463 3.842 -3.571 1.00 24.34 C ATOM 1349 CG LYS A 87 -10.790 3.452 -2.915 1.00 3.32 C ATOM 1350 CD LYS A 87 -11.958 3.648 -3.883 1.00 34.24 C ATOM 1351 CE LYS A 87 -11.864 2.676 -5.060 1.00 64.11 C ATOM 1352 NZ LYS A 87 -11.454 1.334 -4.592 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.404 5.343 -5.292 1.00 14.22 H new ATOM 0 HA LYS A 87 -9.736 5.699 -2.618 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.447 3.492 -4.603 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -8.639 3.349 -3.055 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -10.749 2.411 -2.595 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -10.949 4.055 -2.021 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -12.900 3.497 -3.357 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -11.960 4.673 -4.253 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -12.828 2.613 -5.565 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -11.145 3.048 -5.790 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -11.509 0.659 -5.381 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -10.477 1.373 -4.238 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -12.087 1.025 -3.827 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.477 6.547 -2.434 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.118 7.022 -2.241 1.00 50.44 C ATOM 1367 C LYS A 88 -5.170 5.825 -2.158 1.00 62.35 C ATOM 1368 O LYS A 88 -4.101 5.831 -2.766 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.043 7.950 -1.026 1.00 32.15 C ATOM 1370 CG LYS A 88 -4.618 8.468 -0.819 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.358 8.784 0.655 1.00 21.14 C ATOM 1372 CE LYS A 88 -5.251 9.930 1.135 1.00 11.43 C ATOM 1373 NZ LYS A 88 -4.761 11.224 0.610 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.141 6.852 -1.722 1.00 3.10 H new ATOM 0 HA LYS A 88 -5.800 7.622 -3.093 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -6.723 8.791 -1.163 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.373 7.416 -0.135 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -3.902 7.723 -1.167 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.462 9.364 -1.420 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -4.543 7.896 1.259 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -3.311 9.051 0.794 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -6.276 9.762 0.806 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -5.266 9.955 2.225 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -5.315 12.000 1.026 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -3.758 11.343 0.859 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -4.865 11.240 -0.425 1.00 32.04 H new ATOM 1386 N GLU A 89 -5.595 4.824 -1.401 1.00 24.00 N ATOM 1387 CA GLU A 89 -4.798 3.621 -1.231 1.00 53.30 C ATOM 1388 C GLU A 89 -4.584 2.931 -2.579 1.00 33.12 C ATOM 1389 O GLU A 89 -3.503 2.410 -2.849 1.00 21.33 O ATOM 1390 CB GLU A 89 -5.449 2.670 -0.225 1.00 23.22 C ATOM 1391 CG GLU A 89 -5.643 3.353 1.130 1.00 22.23 C ATOM 1392 CD GLU A 89 -6.700 2.627 1.964 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -6.811 2.871 3.175 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -7.425 1.782 1.310 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.482 4.822 -0.898 1.00 24.00 H new ATOM 0 HA GLU A 89 -3.824 3.907 -0.833 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -6.413 2.334 -0.608 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -4.828 1.783 -0.103 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -4.697 3.371 1.671 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -5.943 4.390 0.979 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.632 2.951 -3.391 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.572 2.334 -4.705 1.00 0.45 C ATOM 1404 C GLU A 90 -4.488 2.999 -5.555 1.00 42.01 C ATOM 1405 O GLU A 90 -3.727 2.318 -6.241 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.932 2.397 -5.402 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.802 1.199 -5.018 1.00 43.23 C ATOM 1408 CD GLU A 90 -8.769 0.839 -6.148 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -8.882 1.587 -7.130 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -9.416 -0.265 -5.981 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.527 3.385 -3.164 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.313 1.283 -4.580 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.441 3.322 -5.131 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.790 2.416 -6.483 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -7.168 0.342 -4.791 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -8.364 1.428 -4.113 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.451 4.321 -5.481 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.473 5.086 -6.236 1.00 55.13 C ATOM 1420 C ARG A 91 -2.133 5.109 -5.497 1.00 34.33 C ATOM 1421 O ARG A 91 -1.120 5.529 -6.054 1.00 24.42 O ATOM 1422 CB ARG A 91 -3.949 6.522 -6.459 1.00 21.11 C ATOM 1423 CG ARG A 91 -5.264 6.549 -7.242 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.520 7.935 -7.836 1.00 2.23 C ATOM 1425 NE ARG A 91 -5.170 8.981 -6.850 1.00 24.12 N ATOM 1426 CZ ARG A 91 -5.873 9.224 -5.724 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -6.972 8.497 -5.431 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -5.469 10.185 -4.913 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.083 4.882 -4.910 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.350 4.602 -7.205 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -4.084 7.018 -5.498 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -3.187 7.081 -7.002 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.231 5.808 -8.040 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -6.089 6.273 -6.585 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.929 8.066 -8.743 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.568 8.029 -8.122 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.346 9.554 -7.033 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.277 7.757 -6.063 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -7.497 8.688 -4.578 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -4.638 10.730 -5.142 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -5.988 10.382 -4.058 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.171 4.653 -4.254 1.00 44.03 N ATOM 1442 CA ALA A 92 -0.973 4.615 -3.432 1.00 4.24 C ATOM 1443 C ALA A 92 -0.279 3.264 -3.611 1.00 44.10 C ATOM 1444 O ALA A 92 0.886 3.108 -3.249 1.00 25.42 O ATOM 1445 CB ALA A 92 -1.344 4.893 -1.974 1.00 24.15 C ATOM 0 H ALA A 92 -3.013 4.306 -3.795 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.271 5.389 -3.742 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.445 4.864 -1.358 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.805 5.878 -1.897 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -2.046 4.135 -1.626 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.024 2.321 -4.168 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.496 0.988 -4.399 1.00 41.32 C ATOM 1453 C ASP A 93 -0.185 0.817 -5.887 1.00 30.23 C ATOM 1454 O ASP A 93 0.882 0.325 -6.250 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.512 -0.085 -4.002 1.00 51.12 C ATOM 1456 CG ASP A 93 -2.080 0.054 -2.588 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -3.302 0.033 -2.386 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -1.196 0.188 -1.657 1.00 61.21 O1- ATOM 0 H ASP A 93 -1.990 2.454 -4.466 1.00 13.32 H new ATOM 0 HA ASP A 93 0.404 0.874 -3.794 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.338 -0.063 -4.713 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -1.039 -1.063 -4.093 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.136 1.233 -6.709 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.978 1.133 -8.150 1.00 74.05 C ATOM 1466 C LEU A 94 0.318 1.833 -8.566 1.00 42.32 C ATOM 1467 O LEU A 94 0.916 1.484 -9.583 1.00 60.31 O ATOM 1468 CB LEU A 94 -2.222 1.666 -8.865 1.00 54.11 C ATOM 1469 CG LEU A 94 -2.313 1.370 -10.363 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.579 2.434 -11.179 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -1.809 -0.041 -10.674 1.00 30.44 C ATOM 0 H LEU A 94 -2.020 1.641 -6.405 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.889 0.089 -8.452 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -3.103 1.249 -8.378 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.262 2.746 -8.725 1.00 54.11 H new ATOM 0 HG LEU A 94 -3.362 1.409 -10.655 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.660 2.199 -12.240 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -2.025 3.410 -10.989 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -0.528 2.453 -10.891 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -1.884 -0.226 -11.745 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -0.769 -0.133 -10.362 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -2.415 -0.770 -10.136 1.00 30.44 H new ATOM 1483 N ILE A 95 0.713 2.805 -7.759 1.00 14.42 N ATOM 1484 CA ILE A 95 1.926 3.557 -8.031 1.00 64.13 C ATOM 1485 C ILE A 95 3.123 2.816 -7.433 1.00 4.02 C ATOM 1486 O ILE A 95 4.193 2.766 -8.039 1.00 25.25 O ATOM 1487 CB ILE A 95 1.786 4.999 -7.536 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.579 5.684 -8.180 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.080 5.784 -7.763 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.341 7.064 -7.567 1.00 42.01 C ATOM 0 H ILE A 95 0.215 3.090 -6.916 1.00 14.42 H new ATOM 0 HA ILE A 95 2.097 3.629 -9.105 1.00 64.13 H new ATOM 0 HB ILE A 95 1.608 4.976 -6.461 1.00 34.32 H new ATOM 0 HG12 ILE A 95 0.742 5.782 -9.253 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.308 5.065 -8.047 1.00 4.41 H new ATOM 0 HG21 ILE A 95 2.954 6.805 -7.403 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.896 5.306 -7.221 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.313 5.801 -8.828 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.522 7.529 -8.042 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.155 6.960 -6.498 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.221 7.688 -7.723 1.00 42.01 H new ATOM 1502 N ALA A 96 2.905 2.258 -6.251 1.00 33.14 N ATOM 1503 CA ALA A 96 3.953 1.523 -5.565 1.00 12.15 C ATOM 1504 C ALA A 96 4.557 0.493 -6.521 1.00 53.11 C ATOM 1505 O ALA A 96 5.767 0.479 -6.743 1.00 25.00 O ATOM 1506 CB ALA A 96 3.381 0.879 -4.301 1.00 44.52 C ATOM 0 H ALA A 96 2.017 2.301 -5.751 1.00 33.14 H new ATOM 0 HA ALA A 96 4.753 2.195 -5.255 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.167 0.327 -3.786 1.00 44.52 H new ATOM 0 HB2 ALA A 96 2.991 1.655 -3.642 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.577 0.195 -4.573 1.00 44.52 H new ATOM 1512 N TYR A 97 3.687 -0.346 -7.064 1.00 1.44 N ATOM 1513 CA TYR A 97 4.118 -1.377 -7.992 1.00 62.31 C ATOM 1514 C TYR A 97 5.057 -0.800 -9.054 1.00 21.40 C ATOM 1515 O TYR A 97 6.094 -1.389 -9.356 1.00 22.13 O ATOM 1516 CB TYR A 97 2.849 -1.889 -8.675 1.00 54.22 C ATOM 1517 CG TYR A 97 3.094 -2.541 -10.036 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.767 -3.744 -10.115 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.643 -1.928 -11.187 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.999 -4.358 -11.396 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.874 -2.541 -12.469 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.540 -3.726 -12.511 1.00 14.22 C ATOM 1523 OH TYR A 97 3.758 -4.306 -13.721 1.00 3.20 O ATOM 0 H TYR A 97 2.684 -0.332 -6.878 1.00 1.44 H new ATOM 0 HA TYR A 97 4.656 -2.166 -7.466 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.363 -2.612 -8.020 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.156 -1.057 -8.802 1.00 54.22 H new ATOM 0 HD1 TYR A 97 4.120 -4.225 -9.215 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.116 -0.987 -11.126 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.525 -5.298 -11.471 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.526 -2.070 -13.377 1.00 72.22 H new ATOM 0 HH TYR A 97 3.375 -3.744 -14.427 1.00 3.20 H new ATOM 1533 N LEU A 98 4.660 0.344 -9.591 1.00 55.30 N ATOM 1534 CA LEU A 98 5.453 1.006 -10.612 1.00 10.43 C ATOM 1535 C LEU A 98 6.843 1.313 -10.053 1.00 50.54 C ATOM 1536 O LEU A 98 7.843 1.191 -10.761 1.00 71.33 O ATOM 1537 CB LEU A 98 4.719 2.238 -11.145 1.00 25.13 C ATOM 1538 CG LEU A 98 3.354 1.980 -11.789 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.583 3.287 -11.981 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.505 1.204 -13.099 1.00 11.03 C ATOM 0 H LEU A 98 3.799 0.829 -9.338 1.00 55.30 H new ATOM 0 HA LEU A 98 5.592 0.350 -11.471 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.583 2.940 -10.322 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.358 2.728 -11.880 1.00 25.13 H new ATOM 0 HG LEU A 98 2.768 1.358 -11.112 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.617 3.076 -12.440 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.428 3.764 -11.013 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.153 3.954 -12.627 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.521 1.034 -13.536 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.117 1.779 -13.794 1.00 11.03 H new ATOM 0 HD23 LEU A 98 3.985 0.246 -12.901 1.00 11.03 H new ATOM 1552 N LYS A 99 6.864 1.707 -8.788 1.00 73.11 N ATOM 1553 CA LYS A 99 8.115 2.033 -8.126 1.00 1.31 C ATOM 1554 C LYS A 99 8.979 0.773 -8.029 1.00 71.25 C ATOM 1555 O LYS A 99 10.173 0.855 -7.744 1.00 53.02 O ATOM 1556 CB LYS A 99 7.849 2.701 -6.776 1.00 31.34 C ATOM 1557 CG LYS A 99 7.773 4.222 -6.923 1.00 15.41 C ATOM 1558 CD LYS A 99 6.364 4.664 -7.323 1.00 1.10 C ATOM 1559 CE LYS A 99 6.098 6.107 -6.890 1.00 13.50 C ATOM 1560 NZ LYS A 99 7.348 6.898 -6.928 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.034 1.808 -8.204 1.00 73.11 H new ATOM 0 HA LYS A 99 8.677 2.762 -8.711 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.915 2.325 -6.358 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.641 2.439 -6.074 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.054 4.696 -5.983 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.489 4.555 -7.674 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.245 4.577 -8.403 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.628 4.002 -6.866 1.00 1.10 H new ATOM 0 HE2 LYS A 99 5.355 6.559 -7.547 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.683 6.120 -5.882 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 7.637 7.138 -5.958 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 8.098 6.340 -7.385 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 7.189 7.772 -7.468 1.00 12.44 H new ATOM 1573 N LYS A 100 8.341 -0.363 -8.271 1.00 63.15 N ATOM 1574 CA LYS A 100 9.036 -1.638 -8.214 1.00 72.41 C ATOM 1575 C LYS A 100 9.052 -2.268 -9.608 1.00 64.54 C ATOM 1576 O LYS A 100 9.731 -3.268 -9.833 1.00 30.00 O ATOM 1577 CB LYS A 100 8.419 -2.537 -7.140 1.00 4.54 C ATOM 1578 CG LYS A 100 9.140 -3.886 -7.074 1.00 42.24 C ATOM 1579 CD LYS A 100 10.613 -3.703 -6.702 1.00 15.32 C ATOM 1580 CE LYS A 100 11.279 -5.052 -6.425 1.00 64.41 C ATOM 1581 NZ LYS A 100 11.488 -5.796 -7.687 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.351 -0.427 -8.507 1.00 63.15 H new ATOM 0 HA LYS A 100 10.075 -1.493 -7.917 1.00 72.41 H new ATOM 0 HB2 LYS A 100 8.475 -2.043 -6.170 1.00 4.54 H new ATOM 0 HB3 LYS A 100 7.362 -2.695 -7.356 1.00 4.54 H new ATOM 0 HG2 LYS A 100 8.653 -4.527 -6.340 1.00 42.24 H new ATOM 0 HG3 LYS A 100 9.064 -4.390 -8.037 1.00 42.24 H new ATOM 0 HD2 LYS A 100 11.136 -3.194 -7.512 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.693 -3.066 -5.821 1.00 15.32 H new ATOM 0 HE2 LYS A 100 12.235 -4.896 -5.925 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.658 -5.639 -5.749 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 11.136 -6.769 -7.579 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 10.972 -5.325 -8.457 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 12.503 -5.818 -7.913 1.00 13.11 H new ATOM 1594 N ALA A 101 8.296 -1.655 -10.508 1.00 71.41 N ATOM 1595 CA ALA A 101 8.215 -2.144 -11.873 1.00 62.32 C ATOM 1596 C ALA A 101 9.229 -1.394 -12.739 1.00 15.30 C ATOM 1597 O ALA A 101 10.279 -1.936 -13.082 1.00 73.54 O ATOM 1598 CB ALA A 101 6.782 -1.988 -12.387 1.00 63.13 C ATOM 0 H ALA A 101 7.735 -0.825 -10.318 1.00 71.41 H new ATOM 0 HA ALA A 101 8.464 -3.204 -11.916 1.00 62.32 H new ATOM 0 HB1 ALA A 101 6.721 -2.355 -13.412 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.104 -2.562 -11.755 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.499 -0.936 -12.361 1.00 63.13 H new ATOM 1604 N THR A 102 8.879 -0.159 -13.069 1.00 2.02 N ATOM 1605 CA THR A 102 9.745 0.671 -13.889 1.00 71.34 C ATOM 1606 C THR A 102 11.099 0.866 -13.205 1.00 12.43 C ATOM 1607 O THR A 102 12.063 1.294 -13.838 1.00 41.24 O ATOM 1608 CB THR A 102 9.013 1.984 -14.173 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.046 2.876 -14.581 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.446 2.624 -12.905 1.00 62.44 C ATOM 0 H THR A 102 8.007 0.287 -12.783 1.00 2.02 H new ATOM 0 HA THR A 102 9.964 0.192 -14.843 1.00 71.34 H new ATOM 0 HB THR A 102 8.204 1.803 -14.881 1.00 15.35 H new ATOM 0 HG1 THR A 102 10.890 2.384 -14.662 1.00 54.52 H new ATOM 0 HG21 THR A 102 7.937 3.553 -13.163 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.738 1.940 -12.437 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.258 2.836 -12.210 1.00 62.44 H new ATOM 1618 N ASN A 103 11.130 0.542 -11.920 1.00 4.21 N ATOM 1619 CA ASN A 103 12.350 0.676 -11.143 1.00 22.31 C ATOM 1620 C ASN A 103 13.009 -0.696 -10.994 1.00 72.30 C ATOM 1621 O ASN A 103 14.088 -0.934 -11.535 1.00 23.40 O ATOM 1622 CB ASN A 103 12.055 1.214 -9.742 1.00 0.14 C ATOM 1623 CG ASN A 103 13.214 2.067 -9.225 1.00 54.24 C ATOM 1624 OD1 ASN A 103 13.908 2.736 -9.974 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.386 2.006 -7.908 1.00 60.01 N ATOM 0 H ASN A 103 10.329 0.187 -11.398 1.00 4.21 H new ATOM 0 HA ASN A 103 13.007 1.372 -11.665 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.142 1.809 -9.762 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.878 0.383 -9.059 1.00 0.14 H new ATOM 0 HD21 ASN A 103 14.135 2.539 -7.466 1.00 60.01 H new ATOM 0 HD22 ASN A 103 12.769 1.426 -7.339 1.00 60.01 H new ATOM 1632 N GLU A 104 12.332 -1.565 -10.257 1.00 33.11 N ATOM 1633 CA GLU A 104 12.837 -2.908 -10.030 1.00 43.24 C ATOM 1634 C GLU A 104 14.352 -2.876 -9.822 1.00 2.51 C ATOM 1635 O GLU A 104 15.053 -3.817 -10.192 1.00 22.34 O ATOM 1636 CB GLU A 104 12.462 -3.838 -11.185 1.00 32.13 C ATOM 1637 CG GLU A 104 12.986 -3.296 -12.517 1.00 20.34 C ATOM 1638 CD GLU A 104 12.901 -4.361 -13.613 1.00 3.30 C ATOM 1639 OE1 GLU A 104 11.937 -4.373 -14.393 1.00 3.03 O ATOM 1640 OE2 GLU A 104 13.883 -5.197 -13.638 1.00 64.02 O1- ATOM 0 H GLU A 104 11.438 -1.365 -9.809 1.00 33.11 H new ATOM 0 HA GLU A 104 12.373 -3.302 -9.126 1.00 43.24 H new ATOM 0 HB2 GLU A 104 12.873 -4.831 -11.005 1.00 32.13 H new ATOM 0 HB3 GLU A 104 11.378 -3.946 -11.233 1.00 32.13 H new ATOM 0 HG2 GLU A 104 12.407 -2.420 -12.810 1.00 20.34 H new ATOM 0 HG3 GLU A 104 14.020 -2.971 -12.400 1.00 20.34 H new