USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 791 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 71 SER OG : rot -145:sc= 0.933 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0.601 USER MOD Set 2.1: A 43 THR OG1 : rot -70:sc= 1.94 USER MOD Set 2.2: A 47 THR OG1 : rot 31:sc= 0.472 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.557 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 80:sc= 1.07 USER MOD Single : A 28 GLN : amide:sc= -0.667 K(o=-0.67,f=-2.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.196 K(o=-0.2,f=-6!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -2.43 K(o=-2.4,f=-6.3!) USER MOD Single : A 53 GLN : amide:sc= 0.13 K(o=0.13,f=-8.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -125:sc= 1.13 (180deg=-1.69!) USER MOD Single : A 61 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-1.3) USER MOD Single : A 62 MET CE :methyl 153:sc= -2.41 (180deg=-5.05!) USER MOD Single : A 63 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.9) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 73 LYS NZ :NH3+ -137:sc= -0.033 (180deg=-0.414) USER MOD Single : A 75 HIS : no HD1:sc= -0.703 X(o=-0.7,f=-0.23) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.108 (180deg=-0.532) USER MOD Single : A 80 ASN : amide:sc= -0.0726 K(o=-0.073,f=-1.1!) USER MOD Single : A 82 ASN : amide:sc= 0.694 K(o=0.69,f=-1.2) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 85 LYS NZ :NH3+ 133:sc= -0.109 (180deg=-0.549) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -38:sc= 0.562 USER MOD Single : A 96 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.3) USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.266 -1.726 1.878 1.00 14.42 N ATOM 2 CA GLY A 1 19.065 -0.928 2.048 1.00 43.24 C ATOM 3 C GLY A 1 18.816 0.001 0.876 1.00 60.45 C ATOM 4 O GLY A 1 19.597 0.917 0.624 1.00 4.53 O ATOM 0 H1 GLY A 1 20.392 -2.344 2.705 1.00 14.42 H new ATOM 0 H2 GLY A 1 20.177 -2.308 1.021 1.00 14.42 H new ATOM 0 H3 GLY A 1 21.090 -1.098 1.786 1.00 14.42 H new ATOM 0 HA2 GLY A 1 18.207 -1.589 2.172 1.00 43.24 H new ATOM 0 HA3 GLY A 1 19.149 -0.340 2.962 1.00 43.24 H new ATOM 8 N ALA A 2 17.725 -0.238 0.155 1.00 30.12 N ATOM 9 CA ALA A 2 17.375 0.584 -0.996 1.00 70.05 C ATOM 10 C ALA A 2 15.956 1.128 -0.872 1.00 33.51 C ATOM 11 O ALA A 2 15.196 0.709 0.001 1.00 70.02 O ATOM 12 CB ALA A 2 17.525 -0.217 -2.282 1.00 14.25 C ATOM 0 H ALA A 2 17.069 -0.994 0.348 1.00 30.12 H new ATOM 0 HA ALA A 2 18.059 1.432 -1.027 1.00 70.05 H new ATOM 0 HB1 ALA A 2 17.260 0.409 -3.134 1.00 14.25 H new ATOM 0 HB2 ALA A 2 18.557 -0.551 -2.384 1.00 14.25 H new ATOM 0 HB3 ALA A 2 16.865 -1.084 -2.250 1.00 14.25 H new ATOM 18 N GLU A 3 15.606 2.063 -1.750 1.00 32.52 N ATOM 19 CA GLU A 3 14.277 2.664 -1.736 1.00 24.24 C ATOM 20 C GLU A 3 13.876 3.130 -3.132 1.00 61.42 C ATOM 21 O GLU A 3 14.616 3.859 -3.792 1.00 34.14 O ATOM 22 CB GLU A 3 14.238 3.843 -0.762 1.00 14.34 C ATOM 23 CG GLU A 3 14.514 3.452 0.680 1.00 32.53 C ATOM 24 CD GLU A 3 14.140 4.544 1.663 1.00 32.34 C ATOM 25 OE1 GLU A 3 14.479 5.717 1.403 1.00 40.22 O ATOM 26 OE2 GLU A 3 13.509 4.226 2.693 1.00 73.42 O ATOM 0 H GLU A 3 16.223 2.420 -2.479 1.00 32.52 H new ATOM 0 HA GLU A 3 13.566 1.906 -1.407 1.00 24.24 H new ATOM 0 HB2 GLU A 3 14.972 4.586 -1.075 1.00 14.34 H new ATOM 0 HB3 GLU A 3 13.259 4.318 -0.819 1.00 14.34 H new ATOM 0 HG2 GLU A 3 13.957 2.546 0.920 1.00 32.53 H new ATOM 0 HG3 GLU A 3 15.572 3.215 0.792 1.00 32.53 H new ATOM 33 N GLY A 4 12.698 2.701 -3.577 1.00 44.50 N ATOM 34 CA GLY A 4 12.219 3.083 -4.892 1.00 52.44 C ATOM 35 C GLY A 4 11.599 1.922 -5.643 1.00 72.33 C ATOM 36 O GLY A 4 11.782 0.764 -5.270 1.00 4.01 O ATOM 0 H GLY A 4 12.068 2.096 -3.050 1.00 44.50 H new ATOM 0 HA2 GLY A 4 11.483 3.880 -4.790 1.00 52.44 H new ATOM 0 HA3 GLY A 4 13.047 3.487 -5.474 1.00 52.44 H new ATOM 40 N ASN A 5 10.861 2.231 -6.704 1.00 52.44 N ATOM 41 CA ASN A 5 10.209 1.204 -7.509 1.00 24.35 C ATOM 42 C ASN A 5 10.671 1.275 -8.961 1.00 4.22 C ATOM 43 O ASN A 5 10.336 2.213 -9.686 1.00 22.52 O ATOM 44 CB ASN A 5 8.689 1.359 -7.437 1.00 71.51 C ATOM 45 CG ASN A 5 8.094 0.668 -6.225 1.00 53.12 C ATOM 46 OD1 ASN A 5 8.276 -0.534 -6.030 1.00 1.44 O ATOM 47 ND2 ASN A 5 7.377 1.427 -5.405 1.00 1.35 N ATOM 0 H ASN A 5 10.699 3.185 -7.027 1.00 52.44 H new ATOM 0 HA ASN A 5 10.488 0.230 -7.106 1.00 24.35 H new ATOM 0 HB2 ASN A 5 8.436 2.419 -7.408 1.00 71.51 H new ATOM 0 HB3 ASN A 5 8.241 0.948 -8.342 1.00 71.51 H new ATOM 0 HD21 ASN A 5 6.951 1.018 -4.574 1.00 1.35 H new ATOM 0 HD22 ASN A 5 7.253 2.419 -5.606 1.00 1.35 H new ATOM 54 N THR A 6 11.443 0.277 -9.380 1.00 44.44 N ATOM 55 CA THR A 6 11.952 0.227 -10.745 1.00 62.51 C ATOM 56 C THR A 6 12.343 -1.195 -11.134 1.00 13.23 C ATOM 57 O THR A 6 13.371 -1.710 -10.692 1.00 52.12 O ATOM 58 CB THR A 6 13.172 1.149 -10.924 1.00 44.35 C ATOM 59 OG1 THR A 6 12.990 2.354 -10.173 1.00 2.24 O ATOM 60 CG2 THR A 6 13.383 1.489 -12.392 1.00 62.44 C ATOM 0 H THR A 6 11.729 -0.507 -8.794 1.00 44.44 H new ATOM 0 HA THR A 6 11.147 0.571 -11.395 1.00 62.51 H new ATOM 0 HB THR A 6 14.054 0.622 -10.558 1.00 44.35 H new ATOM 0 HG1 THR A 6 13.771 2.934 -10.291 1.00 2.24 H new ATOM 0 HG21 THR A 6 14.250 2.141 -12.493 1.00 62.44 H new ATOM 0 HG22 THR A 6 13.550 0.572 -12.957 1.00 62.44 H new ATOM 0 HG23 THR A 6 12.500 1.997 -12.778 1.00 62.44 H new ATOM 68 N LEU A 7 11.517 -1.824 -11.963 1.00 23.34 N ATOM 69 CA LEU A 7 11.777 -3.188 -12.412 1.00 41.30 C ATOM 70 C LEU A 7 13.074 -3.260 -13.211 1.00 44.20 C ATOM 71 O LEU A 7 13.395 -2.350 -13.976 1.00 52.23 O ATOM 72 CB LEU A 7 10.612 -3.696 -13.263 1.00 31.02 C ATOM 73 CG LEU A 7 9.531 -4.481 -12.520 1.00 33.35 C ATOM 74 CD1 LEU A 7 10.127 -5.712 -11.854 1.00 1.33 C ATOM 75 CD2 LEU A 7 8.842 -3.597 -11.491 1.00 35.14 C ATOM 0 H LEU A 7 10.662 -1.412 -12.338 1.00 23.34 H new ATOM 0 HA LEU A 7 11.879 -3.821 -11.531 1.00 41.30 H new ATOM 0 HB2 LEU A 7 10.143 -2.840 -13.748 1.00 31.02 H new ATOM 0 HB3 LEU A 7 11.015 -4.330 -14.053 1.00 31.02 H new ATOM 0 HG LEU A 7 8.786 -4.810 -13.244 1.00 33.35 H new ATOM 0 HD11 LEU A 7 9.342 -6.258 -11.330 1.00 1.33 H new ATOM 0 HD12 LEU A 7 10.573 -6.356 -12.612 1.00 1.33 H new ATOM 0 HD13 LEU A 7 10.893 -5.405 -11.142 1.00 1.33 H new ATOM 0 HD21 LEU A 7 8.076 -4.172 -10.972 1.00 35.14 H new ATOM 0 HD22 LEU A 7 9.576 -3.237 -10.770 1.00 35.14 H new ATOM 0 HD23 LEU A 7 8.380 -2.747 -11.993 1.00 35.14 H new ATOM 87 N ILE A 8 13.815 -4.348 -13.029 1.00 44.43 N ATOM 88 CA ILE A 8 15.076 -4.540 -13.736 1.00 12.51 C ATOM 89 C ILE A 8 15.340 -6.019 -13.996 1.00 42.45 C ATOM 90 O ILE A 8 14.550 -6.879 -13.609 1.00 12.24 O ATOM 91 CB ILE A 8 16.259 -3.949 -12.946 1.00 62.35 C ATOM 92 CG1 ILE A 8 16.376 -4.625 -11.578 1.00 55.35 C ATOM 93 CG2 ILE A 8 16.093 -2.445 -12.788 1.00 71.34 C ATOM 94 CD1 ILE A 8 17.274 -5.841 -11.580 1.00 22.52 C ATOM 0 H ILE A 8 13.564 -5.110 -12.398 1.00 44.43 H new ATOM 0 HA ILE A 8 14.988 -4.017 -14.688 1.00 12.51 H new ATOM 0 HB ILE A 8 17.177 -4.136 -13.502 1.00 62.35 H new ATOM 0 HG12 ILE A 8 16.758 -3.903 -10.856 1.00 55.35 H new ATOM 0 HG13 ILE A 8 15.382 -4.918 -11.240 1.00 55.35 H new ATOM 0 HG21 ILE A 8 16.937 -2.043 -12.228 1.00 71.34 H new ATOM 0 HG22 ILE A 8 16.055 -1.978 -13.772 1.00 71.34 H new ATOM 0 HG23 ILE A 8 15.168 -2.235 -12.251 1.00 71.34 H new ATOM 0 HD11 ILE A 8 17.310 -6.269 -10.578 1.00 22.52 H new ATOM 0 HD12 ILE A 8 16.882 -6.582 -12.277 1.00 22.52 H new ATOM 0 HD13 ILE A 8 18.279 -5.551 -11.887 1.00 22.52 H new ATOM 106 N SER A 9 16.458 -6.307 -14.655 1.00 23.23 N ATOM 107 CA SER A 9 16.827 -7.683 -14.969 1.00 51.42 C ATOM 108 C SER A 9 18.339 -7.871 -14.893 1.00 40.43 C ATOM 109 O SER A 9 19.106 -6.969 -15.231 1.00 2.11 O ATOM 110 CB SER A 9 16.324 -8.062 -16.363 1.00 53.33 C ATOM 111 OG SER A 9 17.310 -7.806 -17.348 1.00 53.14 O ATOM 0 H SER A 9 17.124 -5.607 -14.982 1.00 23.23 H new ATOM 0 HA SER A 9 16.360 -8.336 -14.232 1.00 51.42 H new ATOM 0 HB2 SER A 9 16.053 -9.118 -16.381 1.00 53.33 H new ATOM 0 HB3 SER A 9 15.420 -7.497 -16.593 1.00 53.33 H new ATOM 0 HG SER A 9 16.965 -8.058 -18.230 1.00 53.14 H new ATOM 117 N VAL A 10 18.761 -9.050 -14.447 1.00 52.32 N ATOM 118 CA VAL A 10 20.181 -9.358 -14.327 1.00 73.43 C ATOM 119 C VAL A 10 20.422 -10.863 -14.380 1.00 44.31 C ATOM 120 O VAL A 10 19.672 -11.643 -13.794 1.00 60.31 O ATOM 121 CB VAL A 10 20.768 -8.801 -13.017 1.00 15.11 C ATOM 122 CG1 VAL A 10 20.180 -9.528 -11.817 1.00 4.02 C ATOM 123 CG2 VAL A 10 22.285 -8.908 -13.025 1.00 50.44 C ATOM 0 H VAL A 10 18.140 -9.807 -14.163 1.00 52.32 H new ATOM 0 HA VAL A 10 20.681 -8.882 -15.171 1.00 73.43 H new ATOM 0 HB VAL A 10 20.502 -7.747 -12.939 1.00 15.11 H new ATOM 0 HG11 VAL A 10 20.606 -9.121 -10.900 1.00 4.02 H new ATOM 0 HG12 VAL A 10 19.098 -9.394 -11.805 1.00 4.02 H new ATOM 0 HG13 VAL A 10 20.413 -10.591 -11.885 1.00 4.02 H new ATOM 0 HG21 VAL A 10 22.683 -8.510 -12.092 1.00 50.44 H new ATOM 0 HG22 VAL A 10 22.575 -9.954 -13.126 1.00 50.44 H new ATOM 0 HG23 VAL A 10 22.686 -8.337 -13.863 1.00 50.44 H new ATOM 133 N ASP A 11 21.475 -11.263 -15.085 1.00 54.34 N ATOM 134 CA ASP A 11 21.817 -12.674 -15.214 1.00 21.41 C ATOM 135 C ASP A 11 22.614 -13.152 -14.004 1.00 64.43 C ATOM 136 O ASP A 11 22.790 -12.416 -13.034 1.00 3.24 O ATOM 137 CB ASP A 11 22.618 -12.912 -16.495 1.00 22.32 C ATOM 138 CG ASP A 11 21.958 -12.298 -17.713 1.00 51.33 C ATOM 139 OD1 ASP A 11 21.908 -11.052 -17.797 1.00 31.43 O ATOM 140 OD2 ASP A 11 21.492 -13.062 -18.584 1.00 12.22 O ATOM 0 H ASP A 11 22.106 -10.630 -15.576 1.00 54.34 H new ATOM 0 HA ASP A 11 20.890 -13.244 -15.264 1.00 21.41 H new ATOM 0 HB2 ASP A 11 23.618 -12.494 -16.378 1.00 22.32 H new ATOM 0 HB3 ASP A 11 22.737 -13.984 -16.652 1.00 22.32 H new ATOM 145 N TYR A 12 23.093 -14.390 -14.069 1.00 43.45 N ATOM 146 CA TYR A 12 23.869 -14.967 -12.978 1.00 71.43 C ATOM 147 C TYR A 12 24.576 -16.242 -13.428 1.00 31.41 C ATOM 148 O TYR A 12 24.165 -16.884 -14.394 1.00 65.21 O ATOM 149 CB TYR A 12 22.962 -15.268 -11.784 1.00 2.14 C ATOM 150 CG TYR A 12 23.679 -15.225 -10.453 1.00 65.52 C ATOM 151 CD1 TYR A 12 24.400 -14.102 -10.066 1.00 64.42 C ATOM 152 CD2 TYR A 12 23.637 -16.308 -9.584 1.00 23.32 C ATOM 153 CE1 TYR A 12 25.058 -14.059 -8.852 1.00 60.10 C ATOM 154 CE2 TYR A 12 24.291 -16.273 -8.367 1.00 75.31 C ATOM 155 CZ TYR A 12 25.000 -15.147 -8.006 1.00 13.21 C ATOM 156 OH TYR A 12 25.653 -15.109 -6.795 1.00 50.43 O ATOM 0 H TYR A 12 22.957 -15.013 -14.866 1.00 43.45 H new ATOM 0 HA TYR A 12 24.624 -14.241 -12.678 1.00 71.43 H new ATOM 0 HB2 TYR A 12 22.143 -14.548 -11.770 1.00 2.14 H new ATOM 0 HB3 TYR A 12 22.517 -16.254 -11.916 1.00 2.14 H new ATOM 0 HD1 TYR A 12 24.447 -13.248 -10.726 1.00 64.42 H new ATOM 0 HD2 TYR A 12 23.084 -17.192 -9.864 1.00 23.32 H new ATOM 0 HE1 TYR A 12 25.615 -13.179 -8.567 1.00 60.10 H new ATOM 0 HE2 TYR A 12 24.247 -17.123 -7.702 1.00 75.31 H new ATOM 0 HH TYR A 12 25.511 -15.954 -6.320 1.00 50.43 H new ATOM 166 N GLU A 13 25.641 -16.602 -12.718 1.00 71.43 N ATOM 167 CA GLU A 13 26.406 -17.800 -13.044 1.00 74.41 C ATOM 168 C GLU A 13 27.133 -18.333 -11.813 1.00 32.22 C ATOM 169 O GLU A 13 27.689 -17.565 -11.027 1.00 31.40 O ATOM 170 CB GLU A 13 27.414 -17.502 -14.156 1.00 75.41 C ATOM 171 CG GLU A 13 27.834 -18.733 -14.942 1.00 52.34 C ATOM 172 CD GLU A 13 28.434 -18.386 -16.291 1.00 70.12 C ATOM 173 OE1 GLU A 13 27.712 -17.806 -17.129 1.00 45.33 O ATOM 174 OE2 GLU A 13 29.624 -18.695 -16.509 1.00 30.33 O ATOM 0 H GLU A 13 25.993 -16.082 -11.914 1.00 71.43 H new ATOM 0 HA GLU A 13 25.708 -18.562 -13.391 1.00 74.41 H new ATOM 0 HB2 GLU A 13 26.981 -16.774 -14.842 1.00 75.41 H new ATOM 0 HB3 GLU A 13 28.299 -17.041 -13.718 1.00 75.41 H new ATOM 0 HG2 GLU A 13 28.560 -19.301 -14.360 1.00 52.34 H new ATOM 0 HG3 GLU A 13 26.968 -19.379 -15.089 1.00 52.34 H new ATOM 181 N ILE A 14 27.123 -19.652 -11.652 1.00 64.11 N ATOM 182 CA ILE A 14 27.782 -20.288 -10.518 1.00 0.43 C ATOM 183 C ILE A 14 28.582 -21.508 -10.960 1.00 24.03 C ATOM 184 O ILE A 14 28.115 -22.312 -11.767 1.00 13.34 O ATOM 185 CB ILE A 14 26.765 -20.716 -9.444 1.00 34.41 C ATOM 186 CG1 ILE A 14 25.911 -19.522 -9.014 1.00 35.04 C ATOM 187 CG2 ILE A 14 27.482 -21.321 -8.246 1.00 11.41 C ATOM 188 CD1 ILE A 14 26.711 -18.400 -8.390 1.00 30.20 C ATOM 0 H ILE A 14 26.666 -20.301 -12.293 1.00 64.11 H new ATOM 0 HA ILE A 14 28.459 -19.548 -10.091 1.00 0.43 H new ATOM 0 HB ILE A 14 26.107 -21.474 -9.869 1.00 34.41 H new ATOM 0 HG12 ILE A 14 25.376 -19.137 -9.882 1.00 35.04 H new ATOM 0 HG13 ILE A 14 25.159 -19.861 -8.301 1.00 35.04 H new ATOM 0 HG21 ILE A 14 26.749 -21.618 -7.496 1.00 11.41 H new ATOM 0 HG22 ILE A 14 28.050 -22.195 -8.565 1.00 11.41 H new ATOM 0 HG23 ILE A 14 28.161 -20.584 -7.818 1.00 11.41 H new ATOM 0 HD11 ILE A 14 26.041 -17.587 -8.110 1.00 30.20 H new ATOM 0 HD12 ILE A 14 27.225 -18.769 -7.502 1.00 30.20 H new ATOM 0 HD13 ILE A 14 27.445 -18.034 -9.108 1.00 30.20 H new ATOM 200 N PHE A 15 29.791 -21.641 -10.424 1.00 64.53 N ATOM 201 CA PHE A 15 30.658 -22.765 -10.763 1.00 15.24 C ATOM 202 C PHE A 15 30.977 -23.598 -9.525 1.00 14.35 C ATOM 203 O PHE A 15 30.768 -23.156 -8.395 1.00 70.33 O ATOM 204 CB PHE A 15 31.954 -22.262 -11.401 1.00 61.30 C ATOM 205 CG PHE A 15 32.682 -23.315 -12.188 1.00 12.50 C ATOM 206 CD1 PHE A 15 32.018 -24.067 -13.143 1.00 51.03 C ATOM 207 CD2 PHE A 15 34.030 -23.551 -11.972 1.00 32.51 C ATOM 208 CE1 PHE A 15 32.685 -25.036 -13.870 1.00 13.25 C ATOM 209 CE2 PHE A 15 34.702 -24.519 -12.695 1.00 51.52 C ATOM 210 CZ PHE A 15 34.028 -25.262 -13.644 1.00 63.43 C ATOM 0 H PHE A 15 30.193 -20.985 -9.754 1.00 64.53 H new ATOM 0 HA PHE A 15 30.130 -23.396 -11.478 1.00 15.24 H new ATOM 0 HB2 PHE A 15 31.725 -21.423 -12.057 1.00 61.30 H new ATOM 0 HB3 PHE A 15 32.612 -21.884 -10.619 1.00 61.30 H new ATOM 0 HD1 PHE A 15 30.967 -23.895 -13.322 1.00 51.03 H new ATOM 0 HD2 PHE A 15 34.562 -22.973 -11.231 1.00 32.51 H new ATOM 0 HE1 PHE A 15 32.156 -25.615 -14.613 1.00 13.25 H new ATOM 0 HE2 PHE A 15 35.753 -24.694 -12.518 1.00 51.52 H new ATOM 0 HZ PHE A 15 34.551 -26.019 -14.209 1.00 63.43 H new ATOM 220 N GLY A 16 31.484 -24.807 -9.746 1.00 54.23 N ATOM 221 CA GLY A 16 31.823 -25.683 -8.640 1.00 72.25 C ATOM 222 C GLY A 16 31.109 -27.018 -8.719 1.00 31.13 C ATOM 223 O GLY A 16 31.183 -27.712 -9.733 1.00 55.01 O ATOM 0 H GLY A 16 31.666 -25.195 -10.671 1.00 54.23 H new ATOM 0 HA2 GLY A 16 32.900 -25.850 -8.630 1.00 72.25 H new ATOM 0 HA3 GLY A 16 31.568 -25.193 -7.701 1.00 72.25 H new ATOM 227 N LYS A 17 30.416 -27.381 -7.644 1.00 45.22 N ATOM 228 CA LYS A 17 29.686 -28.642 -7.594 1.00 1.33 C ATOM 229 C LYS A 17 28.220 -28.436 -7.960 1.00 34.14 C ATOM 230 O LYS A 17 27.348 -29.184 -7.516 1.00 40.21 O ATOM 231 CB LYS A 17 29.793 -29.261 -6.198 1.00 54.03 C ATOM 232 CG LYS A 17 29.449 -30.740 -6.161 1.00 63.15 C ATOM 233 CD LYS A 17 30.673 -31.603 -6.418 1.00 23.23 C ATOM 234 CE LYS A 17 30.329 -33.084 -6.379 1.00 31.20 C ATOM 235 NZ LYS A 17 30.135 -33.572 -4.986 1.00 23.45 N ATOM 0 H LYS A 17 30.345 -26.819 -6.796 1.00 45.22 H new ATOM 0 HA LYS A 17 30.131 -29.321 -8.321 1.00 1.33 H new ATOM 0 HB2 LYS A 17 30.808 -29.123 -5.825 1.00 54.03 H new ATOM 0 HB3 LYS A 17 29.129 -28.725 -5.520 1.00 54.03 H new ATOM 0 HG2 LYS A 17 29.023 -30.991 -5.190 1.00 63.15 H new ATOM 0 HG3 LYS A 17 28.686 -30.956 -6.909 1.00 63.15 H new ATOM 0 HD2 LYS A 17 31.098 -31.353 -7.390 1.00 23.23 H new ATOM 0 HD3 LYS A 17 31.436 -31.386 -5.671 1.00 23.23 H new ATOM 0 HE2 LYS A 17 29.421 -33.261 -6.956 1.00 31.20 H new ATOM 0 HE3 LYS A 17 31.126 -33.655 -6.856 1.00 31.20 H new ATOM 0 HZ1 LYS A 17 29.902 -34.585 -5.002 1.00 23.45 H new ATOM 0 HZ2 LYS A 17 31.009 -33.426 -4.442 1.00 23.45 H new ATOM 0 HZ3 LYS A 17 29.358 -33.045 -4.539 1.00 23.45 H new ATOM 249 N VAL A 18 27.954 -27.418 -8.773 1.00 22.35 N ATOM 250 CA VAL A 18 26.593 -27.116 -9.200 1.00 65.22 C ATOM 251 C VAL A 18 26.208 -27.935 -10.427 1.00 23.31 C ATOM 252 O VAL A 18 25.767 -27.388 -11.437 1.00 3.42 O ATOM 253 CB VAL A 18 26.426 -25.619 -9.522 1.00 73.55 C ATOM 254 CG1 VAL A 18 26.542 -24.784 -8.257 1.00 33.25 C ATOM 255 CG2 VAL A 18 27.450 -25.180 -10.557 1.00 45.41 C ATOM 0 H VAL A 18 28.663 -26.789 -9.149 1.00 22.35 H new ATOM 0 HA VAL A 18 25.935 -27.378 -8.371 1.00 65.22 H new ATOM 0 HB VAL A 18 25.431 -25.464 -9.940 1.00 73.55 H new ATOM 0 HG11 VAL A 18 26.421 -23.729 -8.505 1.00 33.25 H new ATOM 0 HG12 VAL A 18 25.766 -25.082 -7.552 1.00 33.25 H new ATOM 0 HG13 VAL A 18 27.522 -24.941 -7.806 1.00 33.25 H new ATOM 0 HG21 VAL A 18 27.318 -24.120 -10.773 1.00 45.41 H new ATOM 0 HG22 VAL A 18 28.455 -25.349 -10.169 1.00 45.41 H new ATOM 0 HG23 VAL A 18 27.313 -25.756 -11.472 1.00 45.41 H new ATOM 265 N GLN A 19 26.378 -29.250 -10.331 1.00 31.11 N ATOM 266 CA GLN A 19 26.048 -30.145 -11.434 1.00 11.12 C ATOM 267 C GLN A 19 25.381 -31.417 -10.922 1.00 20.34 C ATOM 268 O GLN A 19 25.905 -32.091 -10.036 1.00 31.33 O ATOM 269 CB GLN A 19 27.308 -30.499 -12.226 1.00 12.41 C ATOM 270 CG GLN A 19 28.436 -31.043 -11.364 1.00 15.21 C ATOM 271 CD GLN A 19 29.741 -31.171 -12.124 1.00 30.31 C ATOM 272 OE1 GLN A 19 29.956 -32.141 -12.852 1.00 53.44 O ATOM 273 NE2 GLN A 19 30.622 -30.192 -11.958 1.00 12.40 N ATOM 0 H GLN A 19 26.742 -29.719 -9.501 1.00 31.11 H new ATOM 0 HA GLN A 19 25.348 -29.628 -12.091 1.00 11.12 H new ATOM 0 HB2 GLN A 19 27.054 -31.238 -12.986 1.00 12.41 H new ATOM 0 HB3 GLN A 19 27.659 -29.610 -12.751 1.00 12.41 H new ATOM 0 HG2 GLN A 19 28.582 -30.386 -10.507 1.00 15.21 H new ATOM 0 HG3 GLN A 19 28.151 -32.019 -10.973 1.00 15.21 H new ATOM 0 HE21 GLN A 19 30.402 -29.407 -11.345 1.00 12.40 H new ATOM 0 HE22 GLN A 19 31.519 -30.225 -12.443 1.00 12.40 H new ATOM 282 N GLY A 20 24.221 -31.740 -11.485 1.00 52.05 N ATOM 283 CA GLY A 20 23.501 -32.930 -11.072 1.00 60.55 C ATOM 284 C GLY A 20 23.285 -32.986 -9.573 1.00 75.23 C ATOM 285 O GLY A 20 23.378 -34.052 -8.964 1.00 72.13 O ATOM 0 H GLY A 20 23.767 -31.198 -12.220 1.00 52.05 H new ATOM 0 HA2 GLY A 20 22.535 -32.960 -11.576 1.00 60.55 H new ATOM 0 HA3 GLY A 20 24.054 -33.814 -11.390 1.00 60.55 H new ATOM 289 N VAL A 21 22.996 -31.835 -8.975 1.00 50.43 N ATOM 290 CA VAL A 21 22.766 -31.756 -7.538 1.00 23.24 C ATOM 291 C VAL A 21 21.423 -31.103 -7.230 1.00 63.44 C ATOM 292 O VAL A 21 21.250 -30.477 -6.185 1.00 1.12 O ATOM 293 CB VAL A 21 23.883 -30.963 -6.833 1.00 62.42 C ATOM 294 CG1 VAL A 21 25.206 -31.709 -6.923 1.00 33.45 C ATOM 295 CG2 VAL A 21 24.006 -29.570 -7.432 1.00 30.32 C ATOM 0 H VAL A 21 22.916 -30.944 -9.464 1.00 50.43 H new ATOM 0 HA VAL A 21 22.764 -32.779 -7.162 1.00 23.24 H new ATOM 0 HB VAL A 21 23.622 -30.860 -5.780 1.00 62.42 H new ATOM 0 HG11 VAL A 21 25.983 -31.134 -6.420 1.00 33.45 H new ATOM 0 HG12 VAL A 21 25.108 -32.683 -6.444 1.00 33.45 H new ATOM 0 HG13 VAL A 21 25.476 -31.845 -7.970 1.00 33.45 H new ATOM 0 HG21 VAL A 21 24.800 -29.024 -6.922 1.00 30.32 H new ATOM 0 HG22 VAL A 21 24.244 -29.650 -8.493 1.00 30.32 H new ATOM 0 HG23 VAL A 21 23.063 -29.037 -7.311 1.00 30.32 H new ATOM 305 N PHE A 22 20.474 -31.254 -8.148 1.00 64.55 N ATOM 306 CA PHE A 22 19.146 -30.679 -7.976 1.00 74.14 C ATOM 307 C PHE A 22 19.234 -29.182 -7.693 1.00 34.42 C ATOM 308 O PHE A 22 18.379 -28.617 -7.011 1.00 15.02 O ATOM 309 CB PHE A 22 18.406 -31.383 -6.837 1.00 55.10 C ATOM 310 CG PHE A 22 18.288 -32.868 -7.026 1.00 74.21 C ATOM 311 CD1 PHE A 22 17.655 -33.390 -8.143 1.00 12.30 C ATOM 312 CD2 PHE A 22 18.809 -33.743 -6.087 1.00 21.13 C ATOM 313 CE1 PHE A 22 17.545 -34.756 -8.320 1.00 72.13 C ATOM 314 CE2 PHE A 22 18.702 -35.110 -6.259 1.00 25.22 C ATOM 315 CZ PHE A 22 18.069 -35.617 -7.376 1.00 75.43 C ATOM 0 H PHE A 22 20.601 -31.770 -9.019 1.00 64.55 H new ATOM 0 HA PHE A 22 18.592 -30.823 -8.903 1.00 74.14 H new ATOM 0 HB2 PHE A 22 18.925 -31.184 -5.900 1.00 55.10 H new ATOM 0 HB3 PHE A 22 17.407 -30.956 -6.745 1.00 55.10 H new ATOM 0 HD1 PHE A 22 17.243 -32.721 -8.884 1.00 12.30 H new ATOM 0 HD2 PHE A 22 19.304 -33.352 -5.210 1.00 21.13 H new ATOM 0 HE1 PHE A 22 17.050 -35.150 -9.195 1.00 72.13 H new ATOM 0 HE2 PHE A 22 19.113 -35.781 -5.520 1.00 25.22 H new ATOM 0 HZ PHE A 22 17.984 -36.685 -7.511 1.00 75.43 H new ATOM 325 N PHE A 23 20.274 -28.546 -8.221 1.00 22.43 N ATOM 326 CA PHE A 23 20.476 -27.116 -8.024 1.00 0.32 C ATOM 327 C PHE A 23 19.330 -26.315 -8.636 1.00 31.45 C ATOM 328 O PHE A 23 19.041 -25.198 -8.207 1.00 33.11 O ATOM 329 CB PHE A 23 21.806 -26.677 -8.641 1.00 14.01 C ATOM 330 CG PHE A 23 21.930 -27.014 -10.099 1.00 54.44 C ATOM 331 CD1 PHE A 23 21.299 -26.238 -11.059 1.00 42.00 C ATOM 332 CD2 PHE A 23 22.676 -28.106 -10.511 1.00 1.02 C ATOM 333 CE1 PHE A 23 21.411 -26.545 -12.402 1.00 44.31 C ATOM 334 CE2 PHE A 23 22.792 -28.417 -11.852 1.00 63.34 C ATOM 335 CZ PHE A 23 22.158 -27.637 -12.799 1.00 42.51 C ATOM 0 H PHE A 23 20.990 -28.999 -8.789 1.00 22.43 H new ATOM 0 HA PHE A 23 20.499 -26.923 -6.952 1.00 0.32 H new ATOM 0 HB2 PHE A 23 21.918 -25.600 -8.514 1.00 14.01 H new ATOM 0 HB3 PHE A 23 22.624 -27.149 -8.096 1.00 14.01 H new ATOM 0 HD1 PHE A 23 20.713 -25.384 -10.754 1.00 42.00 H new ATOM 0 HD2 PHE A 23 23.173 -28.721 -9.775 1.00 1.02 H new ATOM 0 HE1 PHE A 23 20.915 -25.932 -13.140 1.00 44.31 H new ATOM 0 HE2 PHE A 23 23.378 -29.270 -12.160 1.00 63.34 H new ATOM 0 HZ PHE A 23 22.246 -27.880 -13.848 1.00 42.51 H new ATOM 345 N ARG A 24 18.681 -26.895 -9.640 1.00 64.42 N ATOM 346 CA ARG A 24 17.568 -26.236 -10.313 1.00 22.53 C ATOM 347 C ARG A 24 16.320 -26.246 -9.435 1.00 22.12 C ATOM 348 O ARG A 24 15.533 -25.299 -9.445 1.00 62.30 O ATOM 349 CB ARG A 24 17.272 -26.924 -11.647 1.00 13.22 C ATOM 350 CG ARG A 24 16.826 -28.370 -11.501 1.00 52.53 C ATOM 351 CD ARG A 24 16.922 -29.118 -12.822 1.00 13.33 C ATOM 352 NE ARG A 24 16.553 -30.524 -12.682 1.00 52.11 N ATOM 353 CZ ARG A 24 16.579 -31.394 -13.686 1.00 2.33 C ATOM 354 NH1 ARG A 24 16.955 -31.004 -14.896 1.00 5.43 N ATOM 355 NH2 ARG A 24 16.229 -32.657 -13.480 1.00 1.12 N ATOM 0 H ARG A 24 18.907 -27.820 -10.006 1.00 64.42 H new ATOM 0 HA ARG A 24 17.851 -25.200 -10.501 1.00 22.53 H new ATOM 0 HB2 ARG A 24 16.497 -26.365 -12.170 1.00 13.22 H new ATOM 0 HB3 ARG A 24 18.166 -26.889 -12.270 1.00 13.22 H new ATOM 0 HG2 ARG A 24 17.443 -28.869 -10.753 1.00 52.53 H new ATOM 0 HG3 ARG A 24 15.799 -28.400 -11.138 1.00 52.53 H new ATOM 0 HD2 ARG A 24 16.270 -28.643 -13.556 1.00 13.33 H new ATOM 0 HD3 ARG A 24 17.940 -29.047 -13.206 1.00 13.33 H new ATOM 0 HE ARG A 24 16.259 -30.856 -11.763 1.00 52.11 H new ATOM 0 HH11 ARG A 24 17.225 -30.034 -15.058 1.00 5.43 H new ATOM 0 HH12 ARG A 24 16.974 -31.674 -15.665 1.00 5.43 H new ATOM 0 HH21 ARG A 24 15.940 -32.961 -12.550 1.00 1.12 H new ATOM 0 HH22 ARG A 24 16.249 -33.324 -14.251 1.00 1.12 H new ATOM 369 N LYS A 25 16.145 -27.323 -8.676 1.00 41.22 N ATOM 370 CA LYS A 25 14.994 -27.457 -7.791 1.00 50.04 C ATOM 371 C LYS A 25 14.936 -26.303 -6.796 1.00 15.12 C ATOM 372 O LYS A 25 13.855 -25.874 -6.390 1.00 32.01 O ATOM 373 CB LYS A 25 15.054 -28.789 -7.041 1.00 21.40 C ATOM 374 CG LYS A 25 13.745 -29.170 -6.371 1.00 1.30 C ATOM 375 CD LYS A 25 12.676 -29.516 -7.393 1.00 55.02 C ATOM 376 CE LYS A 25 11.571 -30.363 -6.779 1.00 41.33 C ATOM 377 NZ LYS A 25 11.974 -31.790 -6.648 1.00 64.23 N ATOM 0 H LYS A 25 16.786 -28.116 -8.656 1.00 41.22 H new ATOM 0 HA LYS A 25 14.092 -27.432 -8.402 1.00 50.04 H new ATOM 0 HB2 LYS A 25 15.338 -29.577 -7.739 1.00 21.40 H new ATOM 0 HB3 LYS A 25 15.837 -28.736 -6.285 1.00 21.40 H new ATOM 0 HG2 LYS A 25 13.908 -30.022 -5.711 1.00 1.30 H new ATOM 0 HG3 LYS A 25 13.400 -28.345 -5.748 1.00 1.30 H new ATOM 0 HD2 LYS A 25 12.250 -28.599 -7.800 1.00 55.02 H new ATOM 0 HD3 LYS A 25 13.128 -30.054 -8.226 1.00 55.02 H new ATOM 0 HE2 LYS A 25 11.313 -29.967 -5.797 1.00 41.33 H new ATOM 0 HE3 LYS A 25 10.675 -30.294 -7.396 1.00 41.33 H new ATOM 0 HZ1 LYS A 25 11.194 -32.334 -6.226 1.00 64.23 H new ATOM 0 HZ2 LYS A 25 12.196 -32.176 -7.588 1.00 64.23 H new ATOM 0 HZ3 LYS A 25 12.814 -31.859 -6.039 1.00 64.23 H new ATOM 391 N HIS A 26 16.104 -25.803 -6.407 1.00 2.02 N ATOM 392 CA HIS A 26 16.185 -24.696 -5.460 1.00 24.41 C ATOM 393 C HIS A 26 16.026 -23.358 -6.174 1.00 11.40 C ATOM 394 O HIS A 26 15.132 -22.573 -5.854 1.00 20.21 O ATOM 395 CB HIS A 26 17.519 -24.734 -4.713 1.00 12.52 C ATOM 396 CG HIS A 26 17.466 -25.507 -3.431 1.00 40.22 C ATOM 397 ND1 HIS A 26 16.827 -26.723 -3.312 1.00 12.33 N ATOM 398 CD2 HIS A 26 17.979 -25.231 -2.209 1.00 62.53 C ATOM 399 CE1 HIS A 26 16.948 -27.161 -2.071 1.00 74.13 C ATOM 400 NE2 HIS A 26 17.643 -26.275 -1.382 1.00 41.30 N ATOM 0 H HIS A 26 17.008 -26.146 -6.733 1.00 2.02 H new ATOM 0 HA HIS A 26 15.372 -24.803 -4.742 1.00 24.41 H new ATOM 0 HB2 HIS A 26 18.277 -25.174 -5.362 1.00 12.52 H new ATOM 0 HB3 HIS A 26 17.836 -23.713 -4.499 1.00 12.52 H new ATOM 0 HD2 HIS A 26 18.546 -24.354 -1.935 1.00 62.53 H new ATOM 0 HE1 HIS A 26 16.546 -28.087 -1.686 1.00 74.13 H new ATOM 0 HE2 HIS A 26 17.890 -26.353 -0.396 1.00 41.30 H new ATOM 408 N THR A 27 16.899 -23.101 -7.143 1.00 61.42 N ATOM 409 CA THR A 27 16.857 -21.857 -7.901 1.00 74.20 C ATOM 410 C THR A 27 15.466 -21.611 -8.476 1.00 4.22 C ATOM 411 O THR A 27 15.027 -20.467 -8.592 1.00 24.02 O ATOM 412 CB THR A 27 17.881 -21.865 -9.051 1.00 43.31 C ATOM 413 OG1 THR A 27 19.086 -22.515 -8.630 1.00 75.11 O ATOM 414 CG2 THR A 27 18.196 -20.447 -9.504 1.00 63.24 C ATOM 0 H THR A 27 17.645 -23.739 -7.421 1.00 61.42 H new ATOM 0 HA THR A 27 17.108 -21.055 -7.207 1.00 74.20 H new ATOM 0 HB THR A 27 17.448 -22.411 -9.890 1.00 43.31 H new ATOM 0 HG1 THR A 27 18.965 -23.487 -8.670 1.00 75.11 H new ATOM 0 HG21 THR A 27 18.921 -20.477 -10.317 1.00 63.24 H new ATOM 0 HG22 THR A 27 17.282 -19.964 -9.851 1.00 63.24 H new ATOM 0 HG23 THR A 27 18.610 -19.882 -8.669 1.00 63.24 H new ATOM 422 N GLN A 28 14.779 -22.691 -8.833 1.00 51.42 N ATOM 423 CA GLN A 28 13.438 -22.590 -9.396 1.00 54.00 C ATOM 424 C GLN A 28 12.483 -21.920 -8.413 1.00 25.12 C ATOM 425 O GLN A 28 11.911 -20.871 -8.706 1.00 11.15 O ATOM 426 CB GLN A 28 12.913 -23.978 -9.769 1.00 52.53 C ATOM 427 CG GLN A 28 11.445 -23.987 -10.166 1.00 3.44 C ATOM 428 CD GLN A 28 10.967 -25.358 -10.600 1.00 15.21 C ATOM 429 OE1 GLN A 28 11.570 -26.376 -10.259 1.00 42.52 O ATOM 430 NE2 GLN A 28 9.876 -25.392 -11.357 1.00 32.15 N ATOM 0 H GLN A 28 15.128 -23.645 -8.743 1.00 51.42 H new ATOM 0 HA GLN A 28 13.494 -21.976 -10.295 1.00 54.00 H new ATOM 0 HB2 GLN A 28 13.506 -24.372 -10.594 1.00 52.53 H new ATOM 0 HB3 GLN A 28 13.056 -24.651 -8.923 1.00 52.53 H new ATOM 0 HG2 GLN A 28 10.843 -23.646 -9.324 1.00 3.44 H new ATOM 0 HG3 GLN A 28 11.288 -23.277 -10.978 1.00 3.44 H new ATOM 0 HE21 GLN A 28 9.408 -24.524 -11.616 1.00 32.15 H new ATOM 0 HE22 GLN A 28 9.507 -26.286 -11.679 1.00 32.15 H new ATOM 439 N ALA A 29 12.317 -22.534 -7.246 1.00 2.12 N ATOM 440 CA ALA A 29 11.434 -21.996 -6.219 1.00 12.12 C ATOM 441 C ALA A 29 11.946 -20.656 -5.701 1.00 21.45 C ATOM 442 O ALA A 29 11.164 -19.748 -5.424 1.00 52.34 O ATOM 443 CB ALA A 29 11.291 -22.987 -5.073 1.00 73.35 C ATOM 0 H ALA A 29 12.783 -23.404 -6.989 1.00 2.12 H new ATOM 0 HA ALA A 29 10.454 -21.832 -6.668 1.00 12.12 H new ATOM 0 HB1 ALA A 29 10.629 -22.572 -4.313 1.00 73.35 H new ATOM 0 HB2 ALA A 29 10.872 -23.920 -5.449 1.00 73.35 H new ATOM 0 HB3 ALA A 29 12.270 -23.180 -4.635 1.00 73.35 H new ATOM 449 N GLU A 30 13.264 -20.542 -5.570 1.00 62.35 N ATOM 450 CA GLU A 30 13.880 -19.313 -5.083 1.00 74.35 C ATOM 451 C GLU A 30 13.675 -18.172 -6.076 1.00 24.31 C ATOM 452 O GLU A 30 13.666 -17.001 -5.699 1.00 20.31 O ATOM 453 CB GLU A 30 15.374 -19.528 -4.837 1.00 23.01 C ATOM 454 CG GLU A 30 15.984 -18.518 -3.879 1.00 65.43 C ATOM 455 CD GLU A 30 17.390 -18.895 -3.452 1.00 33.13 C ATOM 456 OE1 GLU A 30 17.998 -19.763 -4.113 1.00 52.42 O ATOM 457 OE2 GLU A 30 17.881 -18.323 -2.456 1.00 71.43 O ATOM 0 H GLU A 30 13.925 -21.285 -5.794 1.00 62.35 H new ATOM 0 HA GLU A 30 13.400 -19.044 -4.142 1.00 74.35 H new ATOM 0 HB2 GLU A 30 15.528 -20.532 -4.440 1.00 23.01 H new ATOM 0 HB3 GLU A 30 15.902 -19.478 -5.789 1.00 23.01 H new ATOM 0 HG2 GLU A 30 16.003 -17.537 -4.354 1.00 65.43 H new ATOM 0 HG3 GLU A 30 15.351 -18.432 -2.996 1.00 65.43 H new ATOM 464 N GLY A 31 13.513 -18.524 -7.348 1.00 15.01 N ATOM 465 CA GLY A 31 13.312 -17.519 -8.375 1.00 75.15 C ATOM 466 C GLY A 31 12.073 -16.680 -8.131 1.00 42.23 C ATOM 467 O GLY A 31 12.027 -15.506 -8.499 1.00 0.54 O ATOM 0 H GLY A 31 13.517 -19.487 -7.685 1.00 15.01 H new ATOM 0 HA2 GLY A 31 14.185 -16.868 -8.418 1.00 75.15 H new ATOM 0 HA3 GLY A 31 13.231 -18.007 -9.346 1.00 75.15 H new ATOM 471 N LYS A 32 11.065 -17.283 -7.511 1.00 13.42 N ATOM 472 CA LYS A 32 9.819 -16.584 -7.218 1.00 32.23 C ATOM 473 C LYS A 32 9.701 -16.285 -5.727 1.00 13.43 C ATOM 474 O LYS A 32 9.129 -15.269 -5.330 1.00 52.03 O ATOM 475 CB LYS A 32 8.622 -17.419 -7.677 1.00 73.53 C ATOM 476 CG LYS A 32 7.283 -16.869 -7.217 1.00 41.40 C ATOM 477 CD LYS A 32 6.184 -17.159 -8.226 1.00 2.34 C ATOM 478 CE LYS A 32 4.988 -16.241 -8.026 1.00 32.14 C ATOM 479 NZ LYS A 32 3.952 -16.443 -9.077 1.00 4.43 N ATOM 0 H LYS A 32 11.086 -18.255 -7.201 1.00 13.42 H new ATOM 0 HA LYS A 32 9.825 -15.639 -7.761 1.00 32.23 H new ATOM 0 HB2 LYS A 32 8.627 -17.477 -8.765 1.00 73.53 H new ATOM 0 HB3 LYS A 32 8.735 -18.437 -7.303 1.00 73.53 H new ATOM 0 HG2 LYS A 32 7.020 -17.308 -6.255 1.00 41.40 H new ATOM 0 HG3 LYS A 32 7.364 -15.793 -7.065 1.00 41.40 H new ATOM 0 HD2 LYS A 32 6.574 -17.035 -9.236 1.00 2.34 H new ATOM 0 HD3 LYS A 32 5.867 -18.198 -8.132 1.00 2.34 H new ATOM 0 HE2 LYS A 32 4.550 -16.423 -7.045 1.00 32.14 H new ATOM 0 HE3 LYS A 32 5.321 -15.203 -8.039 1.00 32.14 H new ATOM 0 HZ1 LYS A 32 3.153 -15.799 -8.906 1.00 4.43 H new ATOM 0 HZ2 LYS A 32 4.362 -16.244 -10.012 1.00 4.43 H new ATOM 0 HZ3 LYS A 32 3.616 -17.427 -9.049 1.00 4.43 H new ATOM 493 N LYS A 33 10.246 -17.174 -4.904 1.00 63.12 N ATOM 494 CA LYS A 33 10.205 -17.004 -3.457 1.00 21.34 C ATOM 495 C LYS A 33 11.022 -15.789 -3.028 1.00 35.32 C ATOM 496 O LYS A 33 10.659 -15.087 -2.083 1.00 24.44 O ATOM 497 CB LYS A 33 10.735 -18.260 -2.760 1.00 12.31 C ATOM 498 CG LYS A 33 9.728 -19.395 -2.704 1.00 35.11 C ATOM 499 CD LYS A 33 10.251 -20.565 -1.887 1.00 54.21 C ATOM 500 CE LYS A 33 9.630 -21.879 -2.335 1.00 35.13 C ATOM 501 NZ LYS A 33 8.313 -22.121 -1.682 1.00 61.30 N ATOM 0 H LYS A 33 10.722 -18.021 -5.215 1.00 63.12 H new ATOM 0 HA LYS A 33 9.167 -16.844 -3.165 1.00 21.34 H new ATOM 0 HB2 LYS A 33 11.629 -18.604 -3.280 1.00 12.31 H new ATOM 0 HB3 LYS A 33 11.036 -18.002 -1.745 1.00 12.31 H new ATOM 0 HG2 LYS A 33 8.796 -19.034 -2.269 1.00 35.11 H new ATOM 0 HG3 LYS A 33 9.499 -19.730 -3.716 1.00 35.11 H new ATOM 0 HD2 LYS A 33 11.335 -20.622 -1.984 1.00 54.21 H new ATOM 0 HD3 LYS A 33 10.033 -20.400 -0.832 1.00 54.21 H new ATOM 0 HE2 LYS A 33 9.503 -21.870 -3.417 1.00 35.13 H new ATOM 0 HE3 LYS A 33 10.308 -22.700 -2.101 1.00 35.13 H new ATOM 0 HZ1 LYS A 33 7.922 -23.026 -2.013 1.00 61.30 H new ATOM 0 HZ2 LYS A 33 8.438 -22.155 -0.650 1.00 61.30 H new ATOM 0 HZ3 LYS A 33 7.658 -21.351 -1.926 1.00 61.30 H new ATOM 515 N LEU A 34 12.123 -15.546 -3.729 1.00 3.54 N ATOM 516 CA LEU A 34 12.991 -14.414 -3.421 1.00 53.43 C ATOM 517 C LEU A 34 12.497 -13.146 -4.111 1.00 14.10 C ATOM 518 O LEU A 34 12.517 -12.062 -3.529 1.00 61.21 O ATOM 519 CB LEU A 34 14.427 -14.715 -3.852 1.00 24.03 C ATOM 520 CG LEU A 34 15.530 -14.133 -2.966 1.00 55.30 C ATOM 521 CD1 LEU A 34 15.473 -12.613 -2.974 1.00 25.01 C ATOM 522 CD2 LEU A 34 15.409 -14.665 -1.546 1.00 25.34 C ATOM 0 H LEU A 34 12.436 -16.117 -4.514 1.00 3.54 H new ATOM 0 HA LEU A 34 12.968 -14.253 -2.343 1.00 53.43 H new ATOM 0 HB2 LEU A 34 14.554 -15.797 -3.892 1.00 24.03 H new ATOM 0 HB3 LEU A 34 14.567 -14.340 -4.866 1.00 24.03 H new ATOM 0 HG LEU A 34 16.495 -14.443 -3.368 1.00 55.30 H new ATOM 0 HD11 LEU A 34 16.265 -12.216 -2.339 1.00 25.01 H new ATOM 0 HD12 LEU A 34 15.608 -12.249 -3.993 1.00 25.01 H new ATOM 0 HD13 LEU A 34 14.505 -12.283 -2.597 1.00 25.01 H new ATOM 0 HD21 LEU A 34 16.202 -14.241 -0.930 1.00 25.34 H new ATOM 0 HD22 LEU A 34 14.440 -14.385 -1.134 1.00 25.34 H new ATOM 0 HD23 LEU A 34 15.499 -15.751 -1.555 1.00 25.34 H new ATOM 534 N GLY A 35 12.051 -13.291 -5.355 1.00 54.42 N ATOM 535 CA GLY A 35 11.555 -12.150 -6.103 1.00 43.30 C ATOM 536 C GLY A 35 10.166 -12.383 -6.663 1.00 42.54 C ATOM 537 O GLY A 35 9.173 -12.285 -5.941 1.00 71.05 O ATOM 0 H GLY A 35 12.024 -14.178 -5.858 1.00 54.42 H new ATOM 0 HA2 GLY A 35 11.540 -11.274 -5.455 1.00 43.30 H new ATOM 0 HA3 GLY A 35 12.241 -11.930 -6.921 1.00 43.30 H new ATOM 541 N LEU A 36 10.095 -12.689 -7.954 1.00 35.42 N ATOM 542 CA LEU A 36 8.816 -12.935 -8.612 1.00 30.31 C ATOM 543 C LEU A 36 8.903 -14.145 -9.537 1.00 23.13 C ATOM 544 O LEU A 36 8.148 -15.107 -9.391 1.00 44.34 O ATOM 545 CB LEU A 36 8.383 -11.702 -9.406 1.00 44.25 C ATOM 546 CG LEU A 36 6.882 -11.412 -9.432 1.00 62.53 C ATOM 547 CD1 LEU A 36 6.131 -12.550 -10.106 1.00 32.33 C ATOM 548 CD2 LEU A 36 6.358 -11.186 -8.022 1.00 24.14 C ATOM 0 H LEU A 36 10.907 -12.773 -8.565 1.00 35.42 H new ATOM 0 HA LEU A 36 8.073 -13.143 -7.842 1.00 30.31 H new ATOM 0 HB2 LEU A 36 8.894 -10.832 -8.994 1.00 44.25 H new ATOM 0 HB3 LEU A 36 8.728 -11.817 -10.434 1.00 44.25 H new ATOM 0 HG LEU A 36 6.717 -10.502 -10.009 1.00 62.53 H new ATOM 0 HD11 LEU A 36 5.064 -12.327 -10.116 1.00 32.33 H new ATOM 0 HD12 LEU A 36 6.487 -12.665 -11.130 1.00 32.33 H new ATOM 0 HD13 LEU A 36 6.303 -13.475 -9.556 1.00 32.33 H new ATOM 0 HD21 LEU A 36 5.288 -10.981 -8.060 1.00 24.14 H new ATOM 0 HD22 LEU A 36 6.536 -12.078 -7.421 1.00 24.14 H new ATOM 0 HD23 LEU A 36 6.874 -10.337 -7.574 1.00 24.14 H new ATOM 560 N VAL A 37 9.831 -14.091 -10.487 1.00 61.31 N ATOM 561 CA VAL A 37 10.020 -15.184 -11.434 1.00 0.01 C ATOM 562 C VAL A 37 11.480 -15.298 -11.857 1.00 61.12 C ATOM 563 O VAL A 37 12.334 -14.547 -11.388 1.00 20.12 O ATOM 564 CB VAL A 37 9.146 -14.997 -12.688 1.00 43.25 C ATOM 565 CG1 VAL A 37 7.679 -15.216 -12.355 1.00 15.53 C ATOM 566 CG2 VAL A 37 9.365 -13.616 -13.289 1.00 22.25 C ATOM 0 H VAL A 37 10.464 -13.302 -10.621 1.00 61.31 H new ATOM 0 HA VAL A 37 9.720 -16.100 -10.925 1.00 0.01 H new ATOM 0 HB VAL A 37 9.440 -15.741 -13.428 1.00 43.25 H new ATOM 0 HG11 VAL A 37 7.078 -15.079 -13.254 1.00 15.53 H new ATOM 0 HG12 VAL A 37 7.539 -16.228 -11.975 1.00 15.53 H new ATOM 0 HG13 VAL A 37 7.367 -14.498 -11.597 1.00 15.53 H new ATOM 0 HG21 VAL A 37 8.740 -13.501 -14.174 1.00 22.25 H new ATOM 0 HG22 VAL A 37 9.100 -12.854 -12.556 1.00 22.25 H new ATOM 0 HG23 VAL A 37 10.413 -13.502 -13.568 1.00 22.25 H new ATOM 576 N GLY A 38 11.760 -16.244 -12.749 1.00 1.10 N ATOM 577 CA GLY A 38 13.118 -16.439 -13.222 1.00 22.25 C ATOM 578 C GLY A 38 13.360 -17.848 -13.725 1.00 72.40 C ATOM 579 O GLY A 38 12.966 -18.821 -13.081 1.00 11.31 O ATOM 0 H GLY A 38 11.071 -16.878 -13.152 1.00 1.10 H new ATOM 0 HA2 GLY A 38 13.326 -15.730 -14.023 1.00 22.25 H new ATOM 0 HA3 GLY A 38 13.816 -16.220 -12.414 1.00 22.25 H new ATOM 583 N TRP A 39 14.007 -17.959 -14.879 1.00 60.43 N ATOM 584 CA TRP A 39 14.299 -19.261 -15.470 1.00 12.23 C ATOM 585 C TRP A 39 15.734 -19.683 -15.174 1.00 73.24 C ATOM 586 O TRP A 39 16.506 -18.926 -14.586 1.00 54.32 O ATOM 587 CB TRP A 39 14.066 -19.222 -16.981 1.00 44.20 C ATOM 588 CG TRP A 39 15.077 -18.395 -17.716 1.00 43.23 C ATOM 589 CD1 TRP A 39 16.341 -18.771 -18.072 1.00 40.32 C ATOM 590 CD2 TRP A 39 14.909 -17.052 -18.183 1.00 44.15 C ATOM 591 NE1 TRP A 39 16.969 -17.742 -18.732 1.00 60.25 N ATOM 592 CE2 TRP A 39 16.112 -16.677 -18.814 1.00 72.05 C ATOM 593 CE3 TRP A 39 13.860 -16.130 -18.132 1.00 61.42 C ATOM 594 CZ2 TRP A 39 16.291 -15.421 -19.387 1.00 42.32 C ATOM 595 CZ3 TRP A 39 14.040 -14.884 -18.701 1.00 11.13 C ATOM 596 CH2 TRP A 39 15.247 -14.538 -19.322 1.00 63.32 C ATOM 0 H TRP A 39 14.340 -17.164 -15.425 1.00 60.43 H new ATOM 0 HA TRP A 39 13.626 -19.994 -15.025 1.00 12.23 H new ATOM 0 HB2 TRP A 39 14.087 -20.240 -17.371 1.00 44.20 H new ATOM 0 HB3 TRP A 39 13.070 -18.825 -17.178 1.00 44.20 H new ATOM 0 HD1 TRP A 39 16.782 -19.735 -17.865 1.00 40.32 H new ATOM 0 HE1 TRP A 39 17.920 -17.767 -19.101 1.00 60.25 H new ATOM 0 HE3 TRP A 39 12.925 -16.387 -17.656 1.00 61.42 H new ATOM 0 HZ2 TRP A 39 17.221 -15.153 -19.866 1.00 42.32 H new ATOM 0 HZ3 TRP A 39 13.236 -14.164 -18.666 1.00 11.13 H new ATOM 0 HH2 TRP A 39 15.356 -13.556 -19.758 1.00 63.32 H new ATOM 607 N VAL A 40 16.085 -20.897 -15.586 1.00 65.21 N ATOM 608 CA VAL A 40 17.429 -21.419 -15.367 1.00 31.55 C ATOM 609 C VAL A 40 17.804 -22.439 -16.436 1.00 34.52 C ATOM 610 O VAL A 40 17.122 -23.450 -16.609 1.00 5.32 O ATOM 611 CB VAL A 40 17.556 -22.076 -13.979 1.00 72.41 C ATOM 612 CG1 VAL A 40 17.654 -21.016 -12.893 1.00 54.00 C ATOM 613 CG2 VAL A 40 16.381 -23.008 -13.722 1.00 22.12 C ATOM 0 H VAL A 40 15.458 -21.537 -16.073 1.00 65.21 H new ATOM 0 HA VAL A 40 18.111 -20.571 -15.424 1.00 31.55 H new ATOM 0 HB VAL A 40 18.471 -22.668 -13.958 1.00 72.41 H new ATOM 0 HG11 VAL A 40 17.743 -21.499 -11.920 1.00 54.00 H new ATOM 0 HG12 VAL A 40 18.531 -20.393 -13.071 1.00 54.00 H new ATOM 0 HG13 VAL A 40 16.758 -20.395 -12.909 1.00 54.00 H new ATOM 0 HG21 VAL A 40 16.487 -23.464 -12.737 1.00 22.12 H new ATOM 0 HG22 VAL A 40 15.451 -22.441 -13.761 1.00 22.12 H new ATOM 0 HG23 VAL A 40 16.362 -23.788 -14.483 1.00 22.12 H new ATOM 623 N GLN A 41 18.891 -22.168 -17.150 1.00 50.50 N ATOM 624 CA GLN A 41 19.356 -23.062 -18.203 1.00 61.32 C ATOM 625 C GLN A 41 20.667 -23.733 -17.808 1.00 22.54 C ATOM 626 O GLN A 41 21.203 -23.483 -16.729 1.00 43.42 O ATOM 627 CB GLN A 41 19.538 -22.292 -19.512 1.00 63.22 C ATOM 628 CG GLN A 41 18.310 -22.315 -20.407 1.00 51.43 C ATOM 629 CD GLN A 41 18.432 -21.374 -21.590 1.00 65.42 C ATOM 630 OE1 GLN A 41 19.292 -21.554 -22.454 1.00 13.41 O ATOM 631 NE2 GLN A 41 17.571 -20.365 -21.636 1.00 3.40 N ATOM 0 H GLN A 41 19.466 -21.336 -17.018 1.00 50.50 H new ATOM 0 HA GLN A 41 18.602 -23.836 -18.347 1.00 61.32 H new ATOM 0 HB2 GLN A 41 19.791 -21.257 -19.283 1.00 63.22 H new ATOM 0 HB3 GLN A 41 20.383 -22.713 -20.057 1.00 63.22 H new ATOM 0 HG2 GLN A 41 18.149 -23.330 -20.770 1.00 51.43 H new ATOM 0 HG3 GLN A 41 17.432 -22.043 -19.820 1.00 51.43 H new ATOM 0 HE21 GLN A 41 16.875 -20.254 -20.898 1.00 3.40 H new ATOM 0 HE22 GLN A 41 17.605 -19.700 -22.409 1.00 3.40 H new ATOM 640 N ASN A 42 21.178 -24.588 -18.688 1.00 31.20 N ATOM 641 CA ASN A 42 22.426 -25.297 -18.430 1.00 3.41 C ATOM 642 C ASN A 42 23.458 -24.993 -19.512 1.00 10.30 C ATOM 643 O ASN A 42 23.120 -24.857 -20.688 1.00 55.33 O ATOM 644 CB ASN A 42 22.176 -26.804 -18.357 1.00 72.33 C ATOM 645 CG ASN A 42 23.208 -27.522 -17.509 1.00 1.30 C ATOM 646 OD1 ASN A 42 24.353 -27.082 -17.400 1.00 52.24 O ATOM 647 ND2 ASN A 42 22.807 -28.633 -16.903 1.00 15.23 N ATOM 0 H ASN A 42 20.747 -24.807 -19.586 1.00 31.20 H new ATOM 0 HA ASN A 42 22.818 -24.954 -17.472 1.00 3.41 H new ATOM 0 HB2 ASN A 42 21.183 -26.985 -17.946 1.00 72.33 H new ATOM 0 HB3 ASN A 42 22.185 -27.220 -19.364 1.00 72.33 H new ATOM 0 HD21 ASN A 42 23.457 -29.159 -16.319 1.00 15.23 H new ATOM 0 HD22 ASN A 42 21.848 -28.961 -17.021 1.00 15.23 H new ATOM 654 N THR A 43 24.720 -24.888 -19.106 1.00 52.14 N ATOM 655 CA THR A 43 25.801 -24.600 -20.040 1.00 2.30 C ATOM 656 C THR A 43 26.782 -25.764 -20.121 1.00 42.32 C ATOM 657 O THR A 43 26.745 -26.678 -19.298 1.00 34.22 O ATOM 658 CB THR A 43 26.567 -23.325 -19.637 1.00 34.20 C ATOM 659 OG1 THR A 43 27.367 -23.581 -18.477 1.00 41.54 O ATOM 660 CG2 THR A 43 25.603 -22.183 -19.353 1.00 4.50 C ATOM 0 H THR A 43 25.018 -24.998 -18.137 1.00 52.14 H new ATOM 0 HA THR A 43 25.342 -24.446 -21.017 1.00 2.30 H new ATOM 0 HB THR A 43 27.213 -23.037 -20.467 1.00 34.20 H new ATOM 0 HG1 THR A 43 26.785 -23.702 -17.698 1.00 41.54 H new ATOM 0 HG21 THR A 43 26.166 -21.293 -19.070 1.00 4.50 H new ATOM 0 HG22 THR A 43 25.015 -21.972 -20.247 1.00 4.50 H new ATOM 0 HG23 THR A 43 24.936 -22.464 -18.538 1.00 4.50 H new ATOM 668 N ASP A 44 27.660 -25.723 -21.118 1.00 33.23 N ATOM 669 CA ASP A 44 28.653 -26.774 -21.305 1.00 72.51 C ATOM 670 C ASP A 44 29.914 -26.481 -20.498 1.00 52.14 C ATOM 671 O ASP A 44 30.614 -27.397 -20.068 1.00 22.14 O ATOM 672 CB ASP A 44 29.002 -26.917 -22.787 1.00 42.03 C ATOM 673 CG ASP A 44 27.839 -27.437 -23.609 1.00 50.30 C ATOM 674 OD1 ASP A 44 27.218 -28.436 -23.192 1.00 20.24 O ATOM 675 OD2 ASP A 44 27.550 -26.844 -24.670 1.00 61.30 O ATOM 0 H ASP A 44 27.704 -24.973 -21.808 1.00 33.23 H new ATOM 0 HA ASP A 44 28.226 -27.711 -20.948 1.00 72.51 H new ATOM 0 HB2 ASP A 44 29.315 -25.949 -23.178 1.00 42.03 H new ATOM 0 HB3 ASP A 44 29.850 -27.594 -22.894 1.00 42.03 H new ATOM 680 N ARG A 45 30.197 -25.198 -20.299 1.00 43.10 N ATOM 681 CA ARG A 45 31.375 -24.784 -19.546 1.00 41.33 C ATOM 682 C ARG A 45 31.383 -25.416 -18.157 1.00 52.25 C ATOM 683 O ARG A 45 32.439 -25.606 -17.557 1.00 24.42 O ATOM 684 CB ARG A 45 31.419 -23.259 -19.425 1.00 31.33 C ATOM 685 CG ARG A 45 32.084 -22.573 -20.607 1.00 15.12 C ATOM 686 CD ARG A 45 33.600 -22.648 -20.514 1.00 55.13 C ATOM 687 NE ARG A 45 34.149 -21.591 -19.670 1.00 43.41 N ATOM 688 CZ ARG A 45 35.393 -21.595 -19.203 1.00 40.25 C ATOM 689 NH1 ARG A 45 36.212 -22.595 -19.498 1.00 33.42 N ATOM 690 NH2 ARG A 45 35.820 -20.596 -18.441 1.00 63.41 N ATOM 0 H ARG A 45 29.627 -24.428 -20.648 1.00 43.10 H new ATOM 0 HA ARG A 45 32.259 -25.125 -20.086 1.00 41.33 H new ATOM 0 HB2 ARG A 45 30.402 -22.882 -19.322 1.00 31.33 H new ATOM 0 HB3 ARG A 45 31.952 -22.991 -18.513 1.00 31.33 H new ATOM 0 HG2 ARG A 45 31.752 -23.040 -21.534 1.00 15.12 H new ATOM 0 HG3 ARG A 45 31.772 -21.529 -20.646 1.00 15.12 H new ATOM 0 HD2 ARG A 45 33.891 -23.619 -20.114 1.00 55.13 H new ATOM 0 HD3 ARG A 45 34.029 -22.573 -21.513 1.00 55.13 H new ATOM 0 HE ARG A 45 33.545 -20.807 -19.425 1.00 43.41 H new ATOM 0 HH11 ARG A 45 35.888 -23.364 -20.085 1.00 33.42 H new ATOM 0 HH12 ARG A 45 37.166 -22.596 -19.138 1.00 33.42 H new ATOM 0 HH21 ARG A 45 35.193 -19.824 -18.213 1.00 63.41 H new ATOM 0 HH22 ARG A 45 36.775 -20.600 -18.083 1.00 63.41 H new ATOM 704 N GLY A 46 30.196 -25.738 -17.653 1.00 34.40 N ATOM 705 CA GLY A 46 30.088 -26.345 -16.339 1.00 10.31 C ATOM 706 C GLY A 46 29.447 -25.419 -15.324 1.00 2.01 C ATOM 707 O GLY A 46 29.611 -25.599 -14.117 1.00 34.53 O ATOM 0 H GLY A 46 29.307 -25.589 -18.131 1.00 34.40 H new ATOM 0 HA2 GLY A 46 29.501 -27.261 -16.412 1.00 10.31 H new ATOM 0 HA3 GLY A 46 31.081 -26.629 -15.991 1.00 10.31 H new ATOM 711 N THR A 47 28.716 -24.422 -15.813 1.00 60.10 N ATOM 712 CA THR A 47 28.051 -23.463 -14.941 1.00 11.33 C ATOM 713 C THR A 47 26.541 -23.481 -15.153 1.00 45.21 C ATOM 714 O THR A 47 26.057 -23.913 -16.199 1.00 34.22 O ATOM 715 CB THR A 47 28.574 -22.033 -15.176 1.00 12.01 C ATOM 716 OG1 THR A 47 28.791 -21.815 -16.574 1.00 41.33 O ATOM 717 CG2 THR A 47 29.869 -21.798 -14.414 1.00 21.34 C ATOM 0 H THR A 47 28.570 -24.258 -16.809 1.00 60.10 H new ATOM 0 HA THR A 47 28.275 -23.760 -13.916 1.00 11.33 H new ATOM 0 HB THR A 47 27.824 -21.331 -14.811 1.00 12.01 H new ATOM 0 HG1 THR A 47 28.152 -22.349 -17.091 1.00 41.33 H new ATOM 0 HG21 THR A 47 30.219 -20.782 -14.596 1.00 21.34 H new ATOM 0 HG22 THR A 47 29.694 -21.936 -13.347 1.00 21.34 H new ATOM 0 HG23 THR A 47 30.624 -22.507 -14.752 1.00 21.34 H new ATOM 725 N VAL A 48 25.802 -23.008 -14.155 1.00 2.14 N ATOM 726 CA VAL A 48 24.347 -22.968 -14.233 1.00 71.21 C ATOM 727 C VAL A 48 23.846 -21.543 -14.440 1.00 64.15 C ATOM 728 O VAL A 48 23.983 -20.693 -13.561 1.00 34.53 O ATOM 729 CB VAL A 48 23.700 -23.548 -12.961 1.00 2.30 C ATOM 730 CG1 VAL A 48 22.183 -23.510 -13.068 1.00 63.13 C ATOM 731 CG2 VAL A 48 24.190 -24.966 -12.713 1.00 64.35 C ATOM 0 H VAL A 48 26.187 -22.647 -13.282 1.00 2.14 H new ATOM 0 HA VAL A 48 24.060 -23.579 -15.089 1.00 71.21 H new ATOM 0 HB VAL A 48 23.996 -22.932 -12.111 1.00 2.30 H new ATOM 0 HG11 VAL A 48 21.744 -23.924 -12.160 1.00 63.13 H new ATOM 0 HG12 VAL A 48 21.853 -22.479 -13.193 1.00 63.13 H new ATOM 0 HG13 VAL A 48 21.864 -24.100 -13.927 1.00 63.13 H new ATOM 0 HG21 VAL A 48 23.723 -25.360 -11.810 1.00 64.35 H new ATOM 0 HG22 VAL A 48 23.926 -25.596 -13.563 1.00 64.35 H new ATOM 0 HG23 VAL A 48 25.273 -24.960 -12.588 1.00 64.35 H new ATOM 741 N GLN A 49 23.267 -21.290 -15.609 1.00 54.43 N ATOM 742 CA GLN A 49 22.746 -19.967 -15.932 1.00 53.40 C ATOM 743 C GLN A 49 21.508 -19.650 -15.098 1.00 64.43 C ATOM 744 O GLN A 49 20.641 -20.502 -14.909 1.00 20.02 O ATOM 745 CB GLN A 49 22.408 -19.878 -17.421 1.00 42.53 C ATOM 746 CG GLN A 49 22.620 -18.493 -18.011 1.00 40.34 C ATOM 747 CD GLN A 49 21.677 -18.198 -19.161 1.00 41.32 C ATOM 748 OE1 GLN A 49 21.699 -18.878 -20.187 1.00 42.25 O ATOM 749 NE2 GLN A 49 20.841 -17.179 -18.995 1.00 62.34 N ATOM 0 H GLN A 49 23.147 -21.983 -16.348 1.00 54.43 H new ATOM 0 HA GLN A 49 23.518 -19.234 -15.697 1.00 53.40 H new ATOM 0 HB2 GLN A 49 23.021 -20.595 -17.968 1.00 42.53 H new ATOM 0 HB3 GLN A 49 21.368 -20.171 -17.567 1.00 42.53 H new ATOM 0 HG2 GLN A 49 22.481 -17.745 -17.231 1.00 40.34 H new ATOM 0 HG3 GLN A 49 23.649 -18.404 -18.358 1.00 40.34 H new ATOM 0 HE21 GLN A 49 20.857 -16.642 -18.128 1.00 62.34 H new ATOM 0 HE22 GLN A 49 20.183 -16.933 -19.735 1.00 62.34 H new ATOM 758 N GLY A 50 21.434 -18.419 -14.602 1.00 30.23 N ATOM 759 CA GLY A 50 20.299 -18.013 -13.793 1.00 42.35 C ATOM 760 C GLY A 50 19.916 -16.564 -14.020 1.00 14.21 C ATOM 761 O GLY A 50 20.633 -15.654 -13.606 1.00 43.21 O ATOM 0 H GLY A 50 22.139 -17.696 -14.746 1.00 30.23 H new ATOM 0 HA2 GLY A 50 19.446 -18.652 -14.022 1.00 42.35 H new ATOM 0 HA3 GLY A 50 20.535 -18.163 -12.739 1.00 42.35 H new ATOM 765 N GLN A 51 18.782 -16.350 -14.680 1.00 11.33 N ATOM 766 CA GLN A 51 18.306 -15.001 -14.962 1.00 42.42 C ATOM 767 C GLN A 51 17.096 -14.658 -14.099 1.00 62.13 C ATOM 768 O GLN A 51 15.996 -15.164 -14.325 1.00 22.40 O ATOM 769 CB GLN A 51 17.947 -14.863 -16.443 1.00 31.42 C ATOM 770 CG GLN A 51 17.237 -13.562 -16.779 1.00 4.45 C ATOM 771 CD GLN A 51 18.000 -12.341 -16.301 1.00 33.43 C ATOM 772 OE1 GLN A 51 17.590 -11.671 -15.352 1.00 61.43 O ATOM 773 NE2 GLN A 51 19.116 -12.046 -16.956 1.00 60.14 N ATOM 0 H GLN A 51 18.176 -17.093 -15.029 1.00 11.33 H new ATOM 0 HA GLN A 51 19.108 -14.303 -14.723 1.00 42.42 H new ATOM 0 HB2 GLN A 51 18.858 -14.934 -17.037 1.00 31.42 H new ATOM 0 HB3 GLN A 51 17.311 -15.699 -16.734 1.00 31.42 H new ATOM 0 HG2 GLN A 51 17.095 -13.498 -17.858 1.00 4.45 H new ATOM 0 HG3 GLN A 51 16.245 -13.566 -16.327 1.00 4.45 H new ATOM 0 HE21 GLN A 51 19.418 -12.629 -17.737 1.00 60.14 H new ATOM 0 HE22 GLN A 51 19.671 -11.237 -16.679 1.00 60.14 H new ATOM 782 N LEU A 52 17.306 -13.796 -13.110 1.00 61.53 N ATOM 783 CA LEU A 52 16.232 -13.386 -12.212 1.00 62.13 C ATOM 784 C LEU A 52 15.718 -11.997 -12.577 1.00 71.35 C ATOM 785 O LEU A 52 16.488 -11.128 -12.984 1.00 52.25 O ATOM 786 CB LEU A 52 16.721 -13.397 -10.763 1.00 12.42 C ATOM 787 CG LEU A 52 15.775 -12.780 -9.731 1.00 45.44 C ATOM 788 CD1 LEU A 52 14.571 -13.680 -9.506 1.00 12.04 C ATOM 789 CD2 LEU A 52 16.507 -12.526 -8.421 1.00 63.44 C ATOM 0 H LEU A 52 18.210 -13.368 -12.910 1.00 61.53 H new ATOM 0 HA LEU A 52 15.412 -14.096 -12.318 1.00 62.13 H new ATOM 0 HB2 LEU A 52 16.918 -14.430 -10.475 1.00 12.42 H new ATOM 0 HB3 LEU A 52 17.672 -12.867 -10.717 1.00 12.42 H new ATOM 0 HG LEU A 52 15.421 -11.824 -10.117 1.00 45.44 H new ATOM 0 HD11 LEU A 52 13.909 -13.225 -8.769 1.00 12.04 H new ATOM 0 HD12 LEU A 52 14.033 -13.810 -10.445 1.00 12.04 H new ATOM 0 HD13 LEU A 52 14.906 -14.651 -9.142 1.00 12.04 H new ATOM 0 HD21 LEU A 52 15.819 -12.087 -7.699 1.00 63.44 H new ATOM 0 HD22 LEU A 52 16.891 -13.468 -8.030 1.00 63.44 H new ATOM 0 HD23 LEU A 52 17.336 -11.841 -8.595 1.00 63.44 H new ATOM 801 N GLN A 53 14.413 -11.797 -12.427 1.00 14.20 N ATOM 802 CA GLN A 53 13.796 -10.513 -12.740 1.00 5.23 C ATOM 803 C GLN A 53 13.105 -9.928 -11.513 1.00 13.31 C ATOM 804 O GLN A 53 12.958 -10.598 -10.492 1.00 30.12 O ATOM 805 CB GLN A 53 12.790 -10.671 -13.881 1.00 11.33 C ATOM 806 CG GLN A 53 13.310 -11.505 -15.040 1.00 23.00 C ATOM 807 CD GLN A 53 12.396 -11.459 -16.249 1.00 22.25 C ATOM 808 OE1 GLN A 53 11.532 -12.320 -16.421 1.00 3.51 O ATOM 809 NE2 GLN A 53 12.582 -10.452 -17.094 1.00 10.03 N ATOM 0 H GLN A 53 13.762 -12.507 -12.091 1.00 14.20 H new ATOM 0 HA GLN A 53 14.583 -9.827 -13.053 1.00 5.23 H new ATOM 0 HB2 GLN A 53 11.882 -11.131 -13.492 1.00 11.33 H new ATOM 0 HB3 GLN A 53 12.514 -9.683 -14.250 1.00 11.33 H new ATOM 0 HG2 GLN A 53 14.300 -11.148 -15.324 1.00 23.00 H new ATOM 0 HG3 GLN A 53 13.425 -12.539 -14.715 1.00 23.00 H new ATOM 0 HE21 GLN A 53 13.310 -9.761 -16.912 1.00 10.03 H new ATOM 0 HE22 GLN A 53 11.997 -10.369 -17.925 1.00 10.03 H new ATOM 818 N GLY A 54 12.681 -8.672 -11.621 1.00 3.13 N ATOM 819 CA GLY A 54 12.010 -8.018 -10.513 1.00 5.54 C ATOM 820 C GLY A 54 12.586 -6.647 -10.214 1.00 73.22 C ATOM 821 O GLY A 54 13.403 -6.116 -10.966 1.00 62.34 O ATOM 0 H GLY A 54 12.790 -8.096 -12.456 1.00 3.13 H new ATOM 0 HA2 GLY A 54 10.949 -7.921 -10.741 1.00 5.54 H new ATOM 0 HA3 GLY A 54 12.089 -8.644 -9.624 1.00 5.54 H new ATOM 825 N PRO A 55 12.154 -6.051 -9.093 1.00 30.22 N ATOM 826 CA PRO A 55 12.618 -4.726 -8.672 1.00 13.11 C ATOM 827 C PRO A 55 14.075 -4.737 -8.222 1.00 35.44 C ATOM 828 O PRO A 55 14.522 -5.674 -7.559 1.00 74.33 O ATOM 829 CB PRO A 55 11.698 -4.385 -7.497 1.00 54.20 C ATOM 830 CG PRO A 55 11.260 -5.705 -6.963 1.00 51.10 C ATOM 831 CD PRO A 55 11.180 -6.626 -8.149 1.00 43.42 C ATOM 0 HA PRO A 55 12.578 -4.003 -9.487 1.00 13.11 H new ATOM 0 HB2 PRO A 55 12.224 -3.806 -6.738 1.00 54.20 H new ATOM 0 HB3 PRO A 55 10.846 -3.787 -7.822 1.00 54.20 H new ATOM 0 HG2 PRO A 55 11.967 -6.081 -6.224 1.00 51.10 H new ATOM 0 HG3 PRO A 55 10.293 -5.624 -6.466 1.00 51.10 H new ATOM 0 HD2 PRO A 55 11.437 -7.651 -7.880 1.00 43.42 H new ATOM 0 HD3 PRO A 55 10.176 -6.650 -8.572 1.00 43.42 H new ATOM 839 N ILE A 56 14.809 -3.692 -8.584 1.00 44.45 N ATOM 840 CA ILE A 56 16.215 -3.582 -8.216 1.00 3.21 C ATOM 841 C ILE A 56 16.396 -3.668 -6.704 1.00 54.31 C ATOM 842 O ILE A 56 17.464 -4.036 -6.216 1.00 1.50 O ATOM 843 CB ILE A 56 16.828 -2.262 -8.720 1.00 42.04 C ATOM 844 CG1 ILE A 56 18.344 -2.265 -8.511 1.00 32.12 C ATOM 845 CG2 ILE A 56 16.192 -1.077 -8.010 1.00 1.24 C ATOM 846 CD1 ILE A 56 19.026 -1.011 -9.011 1.00 54.11 C ATOM 0 H ILE A 56 14.454 -2.909 -9.132 1.00 44.45 H new ATOM 0 HA ILE A 56 16.731 -4.417 -8.690 1.00 3.21 H new ATOM 0 HB ILE A 56 16.628 -2.170 -9.788 1.00 42.04 H new ATOM 0 HG12 ILE A 56 18.556 -2.385 -7.449 1.00 32.12 H new ATOM 0 HG13 ILE A 56 18.771 -3.129 -9.021 1.00 32.12 H new ATOM 0 HG21 ILE A 56 16.636 -0.152 -8.377 1.00 1.24 H new ATOM 0 HG22 ILE A 56 15.120 -1.068 -8.206 1.00 1.24 H new ATOM 0 HG23 ILE A 56 16.364 -1.161 -6.937 1.00 1.24 H new ATOM 0 HD11 ILE A 56 20.098 -1.083 -8.830 1.00 54.11 H new ATOM 0 HD12 ILE A 56 18.845 -0.900 -10.080 1.00 54.11 H new ATOM 0 HD13 ILE A 56 18.627 -0.145 -8.484 1.00 54.11 H new ATOM 858 N SER A 57 15.343 -3.327 -5.968 1.00 33.43 N ATOM 859 CA SER A 57 15.385 -3.364 -4.511 1.00 31.14 C ATOM 860 C SER A 57 15.375 -4.803 -4.003 1.00 13.21 C ATOM 861 O SER A 57 15.813 -5.083 -2.887 1.00 34.31 O ATOM 862 CB SER A 57 14.198 -2.596 -3.925 1.00 70.44 C ATOM 863 OG SER A 57 14.248 -2.582 -2.509 1.00 60.13 O ATOM 0 H SER A 57 14.451 -3.022 -6.357 1.00 33.43 H new ATOM 0 HA SER A 57 16.311 -2.889 -4.187 1.00 31.14 H new ATOM 0 HB2 SER A 57 14.201 -1.573 -4.302 1.00 70.44 H new ATOM 0 HB3 SER A 57 13.266 -3.055 -4.254 1.00 70.44 H new ATOM 0 HG SER A 57 13.480 -2.084 -2.159 1.00 60.13 H new ATOM 869 N LYS A 58 14.871 -5.712 -4.831 1.00 23.02 N ATOM 870 CA LYS A 58 14.804 -7.123 -4.469 1.00 12.10 C ATOM 871 C LYS A 58 15.906 -7.916 -5.163 1.00 43.04 C ATOM 872 O LYS A 58 16.489 -8.830 -4.580 1.00 74.50 O ATOM 873 CB LYS A 58 13.436 -7.700 -4.838 1.00 74.43 C ATOM 874 CG LYS A 58 13.212 -9.111 -4.323 1.00 34.45 C ATOM 875 CD LYS A 58 12.578 -9.106 -2.942 1.00 32.34 C ATOM 876 CE LYS A 58 11.069 -8.929 -3.021 1.00 62.44 C ATOM 877 NZ LYS A 58 10.368 -10.228 -3.219 1.00 62.34 N ATOM 0 H LYS A 58 14.503 -5.497 -5.758 1.00 23.02 H new ATOM 0 HA LYS A 58 14.947 -7.203 -3.391 1.00 12.10 H new ATOM 0 HB2 LYS A 58 12.657 -7.049 -4.440 1.00 74.43 H new ATOM 0 HB3 LYS A 58 13.330 -7.697 -5.923 1.00 74.43 H new ATOM 0 HG2 LYS A 58 12.571 -9.655 -5.017 1.00 34.45 H new ATOM 0 HG3 LYS A 58 14.164 -9.641 -4.286 1.00 34.45 H new ATOM 0 HD2 LYS A 58 12.809 -10.041 -2.431 1.00 32.34 H new ATOM 0 HD3 LYS A 58 13.009 -8.302 -2.346 1.00 32.34 H new ATOM 0 HE2 LYS A 58 10.710 -8.458 -2.106 1.00 62.44 H new ATOM 0 HE3 LYS A 58 10.825 -8.256 -3.843 1.00 62.44 H new ATOM 0 HZ1 LYS A 58 9.762 -10.171 -4.063 1.00 62.34 H new ATOM 0 HZ2 LYS A 58 11.069 -10.985 -3.347 1.00 62.34 H new ATOM 0 HZ3 LYS A 58 9.782 -10.437 -2.386 1.00 62.34 H new ATOM 891 N VAL A 59 16.189 -7.559 -6.412 1.00 43.11 N ATOM 892 CA VAL A 59 17.224 -8.236 -7.185 1.00 0.40 C ATOM 893 C VAL A 59 18.588 -8.097 -6.517 1.00 74.32 C ATOM 894 O VAL A 59 19.489 -8.903 -6.751 1.00 11.33 O ATOM 895 CB VAL A 59 17.308 -7.679 -8.619 1.00 30.13 C ATOM 896 CG1 VAL A 59 18.274 -8.504 -9.456 1.00 52.40 C ATOM 897 CG2 VAL A 59 15.928 -7.646 -9.259 1.00 23.53 C ATOM 0 H VAL A 59 15.716 -6.805 -6.910 1.00 43.11 H new ATOM 0 HA VAL A 59 16.949 -9.290 -7.228 1.00 0.40 H new ATOM 0 HB VAL A 59 17.686 -6.658 -8.573 1.00 30.13 H new ATOM 0 HG11 VAL A 59 18.321 -8.096 -10.466 1.00 52.40 H new ATOM 0 HG12 VAL A 59 19.266 -8.471 -9.005 1.00 52.40 H new ATOM 0 HG13 VAL A 59 17.929 -9.537 -9.498 1.00 52.40 H new ATOM 0 HG21 VAL A 59 16.006 -7.250 -10.271 1.00 23.53 H new ATOM 0 HG22 VAL A 59 15.519 -8.656 -9.295 1.00 23.53 H new ATOM 0 HG23 VAL A 59 15.269 -7.009 -8.670 1.00 23.53 H new ATOM 907 N ARG A 60 18.731 -7.071 -5.685 1.00 24.31 N ATOM 908 CA ARG A 60 19.986 -6.827 -4.983 1.00 53.22 C ATOM 909 C ARG A 60 20.146 -7.785 -3.807 1.00 22.04 C ATOM 910 O ARG A 60 21.183 -7.800 -3.142 1.00 35.35 O ATOM 911 CB ARG A 60 20.044 -5.380 -4.488 1.00 64.44 C ATOM 912 CG ARG A 60 21.455 -4.892 -4.199 1.00 75.34 C ATOM 913 CD ARG A 60 22.101 -4.293 -5.438 1.00 64.14 C ATOM 914 NE ARG A 60 23.508 -3.969 -5.219 1.00 24.03 N ATOM 915 CZ ARG A 60 23.922 -2.862 -4.612 1.00 35.03 C ATOM 916 NH1 ARG A 60 23.040 -1.978 -4.166 1.00 13.01 N ATOM 917 NH2 ARG A 60 25.219 -2.638 -4.449 1.00 42.22 N ATOM 0 H ARG A 60 17.994 -6.396 -5.480 1.00 24.31 H new ATOM 0 HA ARG A 60 20.804 -6.998 -5.682 1.00 53.22 H new ATOM 0 HB2 ARG A 60 19.590 -4.730 -5.236 1.00 64.44 H new ATOM 0 HB3 ARG A 60 19.445 -5.290 -3.582 1.00 64.44 H new ATOM 0 HG2 ARG A 60 21.428 -4.146 -3.405 1.00 75.34 H new ATOM 0 HG3 ARG A 60 22.061 -5.722 -3.836 1.00 75.34 H new ATOM 0 HD2 ARG A 60 22.016 -4.996 -6.267 1.00 64.14 H new ATOM 0 HD3 ARG A 60 21.562 -3.391 -5.728 1.00 64.14 H new ATOM 0 HE ARG A 60 24.212 -4.629 -5.550 1.00 24.03 H new ATOM 0 HH11 ARG A 60 22.042 -2.147 -4.289 1.00 13.01 H new ATOM 0 HH12 ARG A 60 23.360 -1.129 -3.700 1.00 13.01 H new ATOM 0 HH21 ARG A 60 25.900 -3.316 -4.790 1.00 42.22 H new ATOM 0 HH22 ARG A 60 25.535 -1.788 -3.983 1.00 42.22 H new ATOM 931 N HIS A 61 19.113 -8.583 -3.555 1.00 24.21 N ATOM 932 CA HIS A 61 19.140 -9.545 -2.458 1.00 53.25 C ATOM 933 C HIS A 61 19.555 -10.926 -2.957 1.00 4.43 C ATOM 934 O HIS A 61 20.465 -11.547 -2.407 1.00 14.52 O ATOM 935 CB HIS A 61 17.768 -9.623 -1.788 1.00 71.40 C ATOM 936 CG HIS A 61 17.269 -8.303 -1.288 1.00 2.33 C ATOM 937 ND1 HIS A 61 18.090 -7.210 -1.100 1.00 74.43 N ATOM 938 CD2 HIS A 61 16.025 -7.901 -0.937 1.00 30.42 C ATOM 939 CE1 HIS A 61 17.372 -6.195 -0.654 1.00 40.12 C ATOM 940 NE2 HIS A 61 16.116 -6.588 -0.547 1.00 14.13 N ATOM 0 H HIS A 61 18.248 -8.583 -4.095 1.00 24.21 H new ATOM 0 HA HIS A 61 19.875 -9.206 -1.727 1.00 53.25 H new ATOM 0 HB2 HIS A 61 17.048 -10.028 -2.499 1.00 71.40 H new ATOM 0 HB3 HIS A 61 17.820 -10.322 -0.953 1.00 71.40 H new ATOM 0 HD2 HIS A 61 15.128 -8.502 -0.960 1.00 30.42 H new ATOM 0 HE1 HIS A 61 17.748 -5.211 -0.417 1.00 40.12 H new ATOM 0 HE2 HIS A 61 15.339 -6.010 -0.227 1.00 14.13 H new ATOM 948 N MET A 62 18.883 -11.400 -4.000 1.00 60.03 N ATOM 949 CA MET A 62 19.184 -12.707 -4.572 1.00 75.43 C ATOM 950 C MET A 62 20.672 -12.837 -4.881 1.00 53.41 C ATOM 951 O MET A 62 21.314 -13.809 -4.485 1.00 51.13 O ATOM 952 CB MET A 62 18.365 -12.931 -5.846 1.00 3.04 C ATOM 953 CG MET A 62 18.553 -14.311 -6.454 1.00 30.30 C ATOM 954 SD MET A 62 17.439 -15.540 -5.746 1.00 3.24 S ATOM 955 CE MET A 62 16.230 -15.697 -7.058 1.00 24.43 C ATOM 0 H MET A 62 18.127 -10.899 -4.466 1.00 60.03 H new ATOM 0 HA MET A 62 18.916 -13.467 -3.838 1.00 75.43 H new ATOM 0 HB2 MET A 62 17.309 -12.783 -5.620 1.00 3.04 H new ATOM 0 HB3 MET A 62 18.642 -12.177 -6.583 1.00 3.04 H new ATOM 0 HG2 MET A 62 18.389 -14.255 -7.530 1.00 30.30 H new ATOM 0 HG3 MET A 62 19.584 -14.632 -6.305 1.00 30.30 H new ATOM 0 HE1 MET A 62 15.781 -16.690 -7.022 1.00 24.43 H new ATOM 0 HE2 MET A 62 15.454 -14.943 -6.930 1.00 24.43 H new ATOM 0 HE3 MET A 62 16.719 -15.554 -8.022 1.00 24.43 H new ATOM 965 N GLN A 63 21.212 -11.851 -5.590 1.00 4.22 N ATOM 966 CA GLN A 63 22.625 -11.856 -5.952 1.00 31.43 C ATOM 967 C GLN A 63 23.505 -11.922 -4.708 1.00 62.51 C ATOM 968 O GLN A 63 24.613 -12.456 -4.749 1.00 4.51 O ATOM 969 CB GLN A 63 22.969 -10.610 -6.769 1.00 14.33 C ATOM 970 CG GLN A 63 22.850 -9.315 -5.982 1.00 12.43 C ATOM 971 CD GLN A 63 22.704 -8.099 -6.876 1.00 61.41 C ATOM 972 OE1 GLN A 63 21.898 -8.092 -7.807 1.00 32.32 O ATOM 973 NE2 GLN A 63 23.486 -7.062 -6.598 1.00 75.33 N ATOM 0 H GLN A 63 20.693 -11.039 -5.925 1.00 4.22 H new ATOM 0 HA GLN A 63 22.816 -12.742 -6.557 1.00 31.43 H new ATOM 0 HB2 GLN A 63 23.987 -10.703 -7.147 1.00 14.33 H new ATOM 0 HB3 GLN A 63 22.310 -10.561 -7.636 1.00 14.33 H new ATOM 0 HG2 GLN A 63 21.989 -9.377 -5.316 1.00 12.43 H new ATOM 0 HG3 GLN A 63 23.732 -9.195 -5.353 1.00 12.43 H new ATOM 0 HE21 GLN A 63 24.140 -7.111 -5.817 1.00 75.33 H new ATOM 0 HE22 GLN A 63 23.433 -6.216 -7.166 1.00 75.33 H new ATOM 982 N GLU A 64 23.004 -11.377 -3.604 1.00 52.13 N ATOM 983 CA GLU A 64 23.746 -11.374 -2.349 1.00 44.54 C ATOM 984 C GLU A 64 23.294 -12.517 -1.446 1.00 73.22 C ATOM 985 O GLU A 64 23.308 -12.397 -0.221 1.00 62.41 O ATOM 986 CB GLU A 64 23.565 -10.037 -1.628 1.00 3.45 C ATOM 987 CG GLU A 64 23.850 -8.828 -2.504 1.00 24.34 C ATOM 988 CD GLU A 64 23.614 -7.516 -1.782 1.00 3.21 C ATOM 989 OE1 GLU A 64 22.778 -7.490 -0.855 1.00 1.30 O ATOM 990 OE2 GLU A 64 24.267 -6.514 -2.145 1.00 32.45 O ATOM 0 H GLU A 64 22.088 -10.932 -3.553 1.00 52.13 H new ATOM 0 HA GLU A 64 24.802 -11.514 -2.581 1.00 44.54 H new ATOM 0 HB2 GLU A 64 22.543 -9.971 -1.254 1.00 3.45 H new ATOM 0 HB3 GLU A 64 24.224 -10.010 -0.760 1.00 3.45 H new ATOM 0 HG2 GLU A 64 24.884 -8.869 -2.848 1.00 24.34 H new ATOM 0 HG3 GLU A 64 23.218 -8.869 -3.391 1.00 24.34 H new ATOM 997 N TRP A 65 22.892 -13.624 -2.060 1.00 71.11 N ATOM 998 CA TRP A 65 22.434 -14.790 -1.312 1.00 41.51 C ATOM 999 C TRP A 65 23.038 -16.070 -1.877 1.00 22.53 C ATOM 1000 O TRP A 65 23.479 -16.944 -1.128 1.00 14.42 O ATOM 1001 CB TRP A 65 20.907 -14.874 -1.344 1.00 2.12 C ATOM 1002 CG TRP A 65 20.365 -16.087 -0.650 1.00 52.14 C ATOM 1003 CD1 TRP A 65 20.323 -17.361 -1.140 1.00 64.11 C ATOM 1004 CD2 TRP A 65 19.785 -16.139 0.658 1.00 50.43 C ATOM 1005 NE1 TRP A 65 19.753 -18.202 -0.215 1.00 53.12 N ATOM 1006 CE2 TRP A 65 19.415 -17.477 0.897 1.00 54.45 C ATOM 1007 CE3 TRP A 65 19.545 -15.186 1.651 1.00 14.31 C ATOM 1008 CZ2 TRP A 65 18.816 -17.882 2.087 1.00 45.13 C ATOM 1009 CZ3 TRP A 65 18.951 -15.590 2.832 1.00 54.43 C ATOM 1010 CH2 TRP A 65 18.593 -16.928 3.042 1.00 53.11 C ATOM 0 H TRP A 65 22.874 -13.739 -3.073 1.00 71.11 H new ATOM 0 HA TRP A 65 22.763 -14.681 -0.279 1.00 41.51 H new ATOM 0 HB2 TRP A 65 20.491 -13.981 -0.878 1.00 2.12 H new ATOM 0 HB3 TRP A 65 20.572 -14.877 -2.381 1.00 2.12 H new ATOM 0 HD1 TRP A 65 20.685 -17.663 -2.112 1.00 64.11 H new ATOM 0 HE1 TRP A 65 19.605 -19.204 -0.337 1.00 53.12 H new ATOM 0 HE3 TRP A 65 19.819 -14.152 1.499 1.00 14.31 H new ATOM 0 HZ2 TRP A 65 18.537 -18.913 2.250 1.00 45.13 H new ATOM 0 HZ3 TRP A 65 18.760 -14.862 3.606 1.00 54.43 H new ATOM 0 HH2 TRP A 65 18.132 -17.212 3.976 1.00 53.11 H new ATOM 1021 N LEU A 66 23.057 -16.177 -3.201 1.00 35.33 N ATOM 1022 CA LEU A 66 23.608 -17.353 -3.866 1.00 13.21 C ATOM 1023 C LEU A 66 25.132 -17.332 -3.834 1.00 5.21 C ATOM 1024 O LEU A 66 25.784 -18.294 -4.238 1.00 41.04 O ATOM 1025 CB LEU A 66 23.117 -17.421 -5.313 1.00 45.23 C ATOM 1026 CG LEU A 66 21.674 -17.884 -5.512 1.00 71.01 C ATOM 1027 CD1 LEU A 66 21.446 -19.226 -4.833 1.00 54.42 C ATOM 1028 CD2 LEU A 66 20.701 -16.842 -4.979 1.00 62.10 C ATOM 0 H LEU A 66 22.697 -15.464 -3.835 1.00 35.33 H new ATOM 0 HA LEU A 66 23.264 -18.238 -3.330 1.00 13.21 H new ATOM 0 HB2 LEU A 66 23.225 -16.432 -5.759 1.00 45.23 H new ATOM 0 HB3 LEU A 66 23.773 -18.093 -5.867 1.00 45.23 H new ATOM 0 HG LEU A 66 21.495 -18.005 -6.580 1.00 71.01 H new ATOM 0 HD11 LEU A 66 20.413 -19.540 -4.985 1.00 54.42 H new ATOM 0 HD12 LEU A 66 22.118 -19.969 -5.262 1.00 54.42 H new ATOM 0 HD13 LEU A 66 21.643 -19.132 -3.765 1.00 54.42 H new ATOM 0 HD21 LEU A 66 19.679 -17.189 -5.129 1.00 62.10 H new ATOM 0 HD22 LEU A 66 20.879 -16.688 -3.915 1.00 62.10 H new ATOM 0 HD23 LEU A 66 20.847 -15.902 -5.511 1.00 62.10 H new ATOM 1040 N GLU A 67 25.694 -16.229 -3.348 1.00 60.02 N ATOM 1041 CA GLU A 67 27.142 -16.084 -3.262 1.00 65.43 C ATOM 1042 C GLU A 67 27.652 -16.518 -1.891 1.00 22.11 C ATOM 1043 O GLU A 67 28.802 -16.936 -1.746 1.00 14.11 O ATOM 1044 CB GLU A 67 27.550 -14.635 -3.535 1.00 14.22 C ATOM 1045 CG GLU A 67 26.844 -13.627 -2.644 1.00 13.42 C ATOM 1046 CD GLU A 67 27.525 -12.272 -2.642 1.00 41.10 C ATOM 1047 OE1 GLU A 67 28.302 -11.997 -3.580 1.00 10.31 O ATOM 1048 OE2 GLU A 67 27.281 -11.487 -1.702 1.00 15.11 O ATOM 0 H GLU A 67 25.168 -15.424 -3.008 1.00 60.02 H new ATOM 0 HA GLU A 67 27.591 -16.728 -4.018 1.00 65.43 H new ATOM 0 HB2 GLU A 67 28.627 -14.537 -3.398 1.00 14.22 H new ATOM 0 HB3 GLU A 67 27.339 -14.397 -4.577 1.00 14.22 H new ATOM 0 HG2 GLU A 67 25.813 -13.511 -2.979 1.00 13.42 H new ATOM 0 HG3 GLU A 67 26.806 -14.012 -1.625 1.00 13.42 H new ATOM 1055 N THR A 68 26.789 -16.415 -0.885 1.00 75.43 N ATOM 1056 CA THR A 68 27.150 -16.795 0.475 1.00 42.44 C ATOM 1057 C THR A 68 26.512 -18.124 0.863 1.00 42.51 C ATOM 1058 O THR A 68 27.203 -19.128 1.032 1.00 31.43 O ATOM 1059 CB THR A 68 26.724 -15.718 1.490 1.00 5.42 C ATOM 1060 OG1 THR A 68 25.343 -15.390 1.306 1.00 12.43 O ATOM 1061 CG2 THR A 68 27.573 -14.464 1.338 1.00 61.34 C ATOM 0 H THR A 68 25.834 -16.071 -0.987 1.00 75.43 H new ATOM 0 HA THR A 68 28.235 -16.897 0.497 1.00 42.44 H new ATOM 0 HB THR A 68 26.871 -16.118 2.493 1.00 5.42 H new ATOM 0 HG1 THR A 68 25.080 -14.706 1.956 1.00 12.43 H new ATOM 0 HG21 THR A 68 27.253 -13.718 2.065 1.00 61.34 H new ATOM 0 HG22 THR A 68 28.621 -14.711 1.508 1.00 61.34 H new ATOM 0 HG23 THR A 68 27.454 -14.064 0.331 1.00 61.34 H new ATOM 1069 N ARG A 69 25.190 -18.122 1.002 1.00 45.13 N ATOM 1070 CA ARG A 69 24.460 -19.328 1.371 1.00 75.24 C ATOM 1071 C ARG A 69 24.828 -20.490 0.452 1.00 1.51 C ATOM 1072 O ARG A 69 25.556 -21.399 0.846 1.00 20.54 O ATOM 1073 CB ARG A 69 22.952 -19.075 1.311 1.00 60.13 C ATOM 1074 CG ARG A 69 22.366 -18.572 2.620 1.00 44.11 C ATOM 1075 CD ARG A 69 21.555 -19.652 3.319 1.00 41.33 C ATOM 1076 NE ARG A 69 21.338 -19.346 4.730 1.00 11.02 N ATOM 1077 CZ ARG A 69 20.823 -20.209 5.598 1.00 22.54 C ATOM 1078 NH1 ARG A 69 20.475 -21.426 5.202 1.00 40.33 N ATOM 1079 NH2 ARG A 69 20.656 -19.857 6.867 1.00 62.12 N ATOM 0 H ARG A 69 24.603 -17.299 0.865 1.00 45.13 H new ATOM 0 HA ARG A 69 24.738 -19.592 2.391 1.00 75.24 H new ATOM 0 HB2 ARG A 69 22.745 -18.347 0.527 1.00 60.13 H new ATOM 0 HB3 ARG A 69 22.448 -19.999 1.029 1.00 60.13 H new ATOM 0 HG2 ARG A 69 23.170 -18.238 3.275 1.00 44.11 H new ATOM 0 HG3 ARG A 69 21.732 -17.707 2.427 1.00 44.11 H new ATOM 0 HD2 ARG A 69 20.592 -19.763 2.820 1.00 41.33 H new ATOM 0 HD3 ARG A 69 22.072 -20.608 3.231 1.00 41.33 H new ATOM 0 HE ARG A 69 21.596 -18.419 5.067 1.00 11.02 H new ATOM 0 HH11 ARG A 69 20.603 -21.701 4.228 1.00 40.33 H new ATOM 0 HH12 ARG A 69 20.080 -22.087 5.871 1.00 40.33 H new ATOM 0 HH21 ARG A 69 20.923 -18.923 7.176 1.00 62.12 H new ATOM 0 HH22 ARG A 69 20.260 -20.521 7.533 1.00 62.12 H new ATOM 1093 N GLY A 70 24.319 -20.451 -0.776 1.00 1.02 N ATOM 1094 CA GLY A 70 24.605 -21.506 -1.731 1.00 1.42 C ATOM 1095 C GLY A 70 23.929 -22.814 -1.370 1.00 5.42 C ATOM 1096 O GLY A 70 22.702 -22.900 -1.347 1.00 32.33 O ATOM 0 H GLY A 70 23.714 -19.708 -1.126 1.00 1.02 H new ATOM 0 HA2 GLY A 70 24.278 -21.193 -2.722 1.00 1.42 H new ATOM 0 HA3 GLY A 70 25.683 -21.660 -1.785 1.00 1.42 H new ATOM 1100 N SER A 71 24.733 -23.835 -1.089 1.00 15.24 N ATOM 1101 CA SER A 71 24.205 -25.147 -0.732 1.00 52.44 C ATOM 1102 C SER A 71 25.337 -26.127 -0.442 1.00 61.25 C ATOM 1103 O SER A 71 26.483 -25.930 -0.849 1.00 35.32 O ATOM 1104 CB SER A 71 23.322 -25.688 -1.859 1.00 2.32 C ATOM 1105 OG SER A 71 23.626 -27.043 -2.138 1.00 73.50 O ATOM 0 H SER A 71 25.751 -23.779 -1.102 1.00 15.24 H new ATOM 0 HA SER A 71 23.603 -25.037 0.170 1.00 52.44 H new ATOM 0 HB2 SER A 71 22.273 -25.598 -1.578 1.00 2.32 H new ATOM 0 HB3 SER A 71 23.465 -25.087 -2.757 1.00 2.32 H new ATOM 0 HG SER A 71 23.523 -27.210 -3.098 1.00 73.50 H new ATOM 1111 N PRO A 72 25.011 -27.211 0.278 1.00 55.42 N ATOM 1112 CA PRO A 72 25.985 -28.245 0.639 1.00 40.44 C ATOM 1113 C PRO A 72 26.437 -29.062 -0.567 1.00 55.52 C ATOM 1114 O PRO A 72 27.535 -29.618 -0.577 1.00 72.04 O ATOM 1115 CB PRO A 72 25.217 -29.127 1.625 1.00 33.32 C ATOM 1116 CG PRO A 72 23.783 -28.931 1.272 1.00 12.10 C ATOM 1117 CD PRO A 72 23.665 -27.510 0.795 1.00 13.21 C ATOM 0 HA PRO A 72 26.899 -27.818 1.051 1.00 40.44 H new ATOM 0 HB2 PRO A 72 25.508 -30.173 1.530 1.00 33.32 H new ATOM 0 HB3 PRO A 72 25.415 -28.833 2.656 1.00 33.32 H new ATOM 0 HG2 PRO A 72 23.473 -29.630 0.496 1.00 12.10 H new ATOM 0 HG3 PRO A 72 23.141 -29.108 2.135 1.00 12.10 H new ATOM 0 HD2 PRO A 72 22.905 -27.408 0.020 1.00 13.21 H new ATOM 0 HD3 PRO A 72 23.387 -26.836 1.605 1.00 13.21 H new ATOM 1125 N LYS A 73 25.583 -29.130 -1.583 1.00 51.41 N ATOM 1126 CA LYS A 73 25.894 -29.877 -2.796 1.00 31.13 C ATOM 1127 C LYS A 73 26.159 -28.933 -3.964 1.00 52.10 C ATOM 1128 O LYS A 73 26.654 -29.349 -5.011 1.00 63.50 O ATOM 1129 CB LYS A 73 24.745 -30.826 -3.143 1.00 53.05 C ATOM 1130 CG LYS A 73 23.374 -30.178 -3.059 1.00 12.42 C ATOM 1131 CD LYS A 73 22.266 -31.174 -3.356 1.00 61.41 C ATOM 1132 CE LYS A 73 20.892 -30.572 -3.105 1.00 22.21 C ATOM 1133 NZ LYS A 73 19.809 -31.585 -3.240 1.00 63.53 N ATOM 0 H LYS A 73 24.669 -28.676 -1.590 1.00 51.41 H new ATOM 0 HA LYS A 73 26.796 -30.460 -2.612 1.00 31.13 H new ATOM 0 HB2 LYS A 73 24.895 -31.210 -4.152 1.00 53.05 H new ATOM 0 HB3 LYS A 73 24.775 -31.681 -2.468 1.00 53.05 H new ATOM 0 HG2 LYS A 73 23.230 -29.758 -2.063 1.00 12.42 H new ATOM 0 HG3 LYS A 73 23.318 -29.350 -3.765 1.00 12.42 H new ATOM 0 HD2 LYS A 73 22.337 -31.500 -4.394 1.00 61.41 H new ATOM 0 HD3 LYS A 73 22.395 -32.060 -2.734 1.00 61.41 H new ATOM 0 HE2 LYS A 73 20.862 -30.140 -2.105 1.00 22.21 H new ATOM 0 HE3 LYS A 73 20.718 -29.758 -3.809 1.00 22.21 H new ATOM 0 HZ1 LYS A 73 19.013 -31.174 -3.768 1.00 63.53 H new ATOM 0 HZ2 LYS A 73 20.172 -32.415 -3.751 1.00 63.53 H new ATOM 0 HZ3 LYS A 73 19.485 -31.875 -2.295 1.00 63.53 H new ATOM 1147 N SER A 74 25.827 -27.660 -3.777 1.00 12.50 N ATOM 1148 CA SER A 74 26.027 -26.657 -4.817 1.00 11.34 C ATOM 1149 C SER A 74 27.055 -25.618 -4.379 1.00 21.12 C ATOM 1150 O SER A 74 26.727 -24.448 -4.179 1.00 34.23 O ATOM 1151 CB SER A 74 24.702 -25.969 -5.153 1.00 63.23 C ATOM 1152 OG SER A 74 23.613 -26.866 -5.017 1.00 43.31 O ATOM 0 H SER A 74 25.418 -27.298 -2.915 1.00 12.50 H new ATOM 0 HA SER A 74 26.402 -27.162 -5.707 1.00 11.34 H new ATOM 0 HB2 SER A 74 24.556 -25.112 -4.495 1.00 63.23 H new ATOM 0 HB3 SER A 74 24.736 -25.585 -6.173 1.00 63.23 H new ATOM 0 HG SER A 74 22.778 -26.402 -5.235 1.00 43.31 H new ATOM 1158 N HIS A 75 28.302 -26.055 -4.232 1.00 1.44 N ATOM 1159 CA HIS A 75 29.380 -25.163 -3.818 1.00 22.41 C ATOM 1160 C HIS A 75 29.435 -23.926 -4.709 1.00 73.44 C ATOM 1161 O HIS A 75 28.912 -23.930 -5.824 1.00 42.24 O ATOM 1162 CB HIS A 75 30.721 -25.897 -3.861 1.00 1.44 C ATOM 1163 CG HIS A 75 31.816 -25.186 -3.126 1.00 32.45 C ATOM 1164 ND1 HIS A 75 32.098 -25.411 -1.795 1.00 33.44 N ATOM 1165 CD2 HIS A 75 32.702 -24.252 -3.543 1.00 73.35 C ATOM 1166 CE1 HIS A 75 33.108 -24.645 -1.425 1.00 64.12 C ATOM 1167 NE2 HIS A 75 33.494 -23.932 -2.468 1.00 73.23 N ATOM 0 H HIS A 75 28.591 -27.020 -4.393 1.00 1.44 H new ATOM 0 HA HIS A 75 29.181 -24.843 -2.795 1.00 22.41 H new ATOM 0 HB2 HIS A 75 30.595 -26.892 -3.435 1.00 1.44 H new ATOM 0 HB3 HIS A 75 31.020 -26.031 -4.901 1.00 1.44 H new ATOM 0 HD2 HIS A 75 32.773 -23.836 -4.537 1.00 73.35 H new ATOM 0 HE1 HIS A 75 33.544 -24.608 -0.438 1.00 64.12 H new ATOM 0 HE2 HIS A 75 34.256 -23.254 -2.474 1.00 73.23 H new ATOM 1175 N ILE A 76 30.069 -22.871 -4.210 1.00 41.03 N ATOM 1176 CA ILE A 76 30.192 -21.628 -4.962 1.00 35.12 C ATOM 1177 C ILE A 76 31.650 -21.324 -5.288 1.00 32.04 C ATOM 1178 O ILE A 76 32.298 -20.532 -4.603 1.00 35.13 O ATOM 1179 CB ILE A 76 29.592 -20.440 -4.187 1.00 31.04 C ATOM 1180 CG1 ILE A 76 28.111 -20.689 -3.893 1.00 60.44 C ATOM 1181 CG2 ILE A 76 29.772 -19.150 -4.972 1.00 50.24 C ATOM 1182 CD1 ILE A 76 27.599 -19.937 -2.685 1.00 23.31 C ATOM 0 H ILE A 76 30.506 -22.852 -3.288 1.00 41.03 H new ATOM 0 HA ILE A 76 29.636 -21.764 -5.890 1.00 35.12 H new ATOM 0 HB ILE A 76 30.119 -20.342 -3.238 1.00 31.04 H new ATOM 0 HG12 ILE A 76 27.523 -20.403 -4.765 1.00 60.44 H new ATOM 0 HG13 ILE A 76 27.954 -21.757 -3.739 1.00 60.44 H new ATOM 0 HG21 ILE A 76 29.343 -18.320 -4.411 1.00 50.24 H new ATOM 0 HG22 ILE A 76 30.834 -18.968 -5.134 1.00 50.24 H new ATOM 0 HG23 ILE A 76 29.268 -19.237 -5.935 1.00 50.24 H new ATOM 0 HD11 ILE A 76 26.543 -20.162 -2.537 1.00 23.31 H new ATOM 0 HD12 ILE A 76 28.161 -20.241 -1.802 1.00 23.31 H new ATOM 0 HD13 ILE A 76 27.723 -18.866 -2.844 1.00 23.31 H new ATOM 1194 N ASP A 77 32.160 -21.957 -6.338 1.00 52.03 N ATOM 1195 CA ASP A 77 33.541 -21.752 -6.758 1.00 24.33 C ATOM 1196 C ASP A 77 33.743 -20.338 -7.292 1.00 42.21 C ATOM 1197 O ASP A 77 34.844 -19.789 -7.228 1.00 35.02 O ATOM 1198 CB ASP A 77 33.929 -22.775 -7.827 1.00 1.01 C ATOM 1199 CG ASP A 77 35.417 -23.068 -7.836 1.00 14.42 C ATOM 1200 OD1 ASP A 77 36.199 -22.171 -7.458 1.00 24.43 O ATOM 1201 OD2 ASP A 77 35.798 -24.193 -8.222 1.00 1.33 O ATOM 0 H ASP A 77 31.638 -22.617 -6.914 1.00 52.03 H new ATOM 0 HA ASP A 77 34.183 -21.887 -5.887 1.00 24.33 H new ATOM 0 HB2 ASP A 77 33.380 -23.701 -7.655 1.00 1.01 H new ATOM 0 HB3 ASP A 77 33.629 -22.404 -8.807 1.00 1.01 H new ATOM 1206 N LYS A 78 32.674 -19.753 -7.821 1.00 0.51 N ATOM 1207 CA LYS A 78 32.732 -18.402 -8.367 1.00 0.20 C ATOM 1208 C LYS A 78 31.330 -17.838 -8.575 1.00 31.32 C ATOM 1209 O LYS A 78 30.642 -18.197 -9.530 1.00 42.43 O ATOM 1210 CB LYS A 78 33.496 -18.398 -9.693 1.00 4.02 C ATOM 1211 CG LYS A 78 33.446 -17.066 -10.420 1.00 51.51 C ATOM 1212 CD LYS A 78 34.119 -15.966 -9.616 1.00 52.42 C ATOM 1213 CE LYS A 78 35.623 -16.174 -9.537 1.00 44.43 C ATOM 1214 NZ LYS A 78 36.241 -16.278 -10.889 1.00 35.14 N ATOM 0 H LYS A 78 31.756 -20.194 -7.883 1.00 0.51 H new ATOM 0 HA LYS A 78 33.256 -17.770 -7.650 1.00 0.20 H new ATOM 0 HB2 LYS A 78 34.537 -18.660 -9.504 1.00 4.02 H new ATOM 0 HB3 LYS A 78 33.085 -19.172 -10.342 1.00 4.02 H new ATOM 0 HG2 LYS A 78 33.936 -17.161 -11.389 1.00 51.51 H new ATOM 0 HG3 LYS A 78 32.408 -16.794 -10.612 1.00 51.51 H new ATOM 0 HD2 LYS A 78 33.908 -14.999 -10.073 1.00 52.42 H new ATOM 0 HD3 LYS A 78 33.701 -15.941 -8.610 1.00 52.42 H new ATOM 0 HE2 LYS A 78 36.076 -15.345 -8.993 1.00 44.43 H new ATOM 0 HE3 LYS A 78 35.835 -17.081 -8.970 1.00 44.43 H new ATOM 0 HZ1 LYS A 78 37.263 -16.097 -10.819 1.00 35.14 H new ATOM 0 HZ2 LYS A 78 36.084 -17.233 -11.270 1.00 35.14 H new ATOM 0 HZ3 LYS A 78 35.808 -15.577 -11.523 1.00 35.14 H new ATOM 1228 N ALA A 79 30.913 -16.954 -7.675 1.00 3.42 N ATOM 1229 CA ALA A 79 29.595 -16.338 -7.762 1.00 72.21 C ATOM 1230 C ALA A 79 29.695 -14.887 -8.221 1.00 65.51 C ATOM 1231 O ALA A 79 30.001 -13.996 -7.430 1.00 62.31 O ATOM 1232 CB ALA A 79 28.884 -16.421 -6.419 1.00 51.14 C ATOM 0 H ALA A 79 31.469 -16.648 -6.877 1.00 3.42 H new ATOM 0 HA ALA A 79 29.014 -16.886 -8.503 1.00 72.21 H new ATOM 0 HB1 ALA A 79 27.901 -15.957 -6.499 1.00 51.14 H new ATOM 0 HB2 ALA A 79 28.770 -17.466 -6.132 1.00 51.14 H new ATOM 0 HB3 ALA A 79 29.471 -15.899 -5.663 1.00 51.14 H new ATOM 1238 N ASN A 80 29.437 -14.658 -9.504 1.00 71.45 N ATOM 1239 CA ASN A 80 29.500 -13.315 -10.069 1.00 31.10 C ATOM 1240 C ASN A 80 28.179 -12.942 -10.734 1.00 75.11 C ATOM 1241 O ASN A 80 27.490 -13.796 -11.294 1.00 1.32 O ATOM 1242 CB ASN A 80 30.640 -13.219 -11.085 1.00 20.23 C ATOM 1243 CG ASN A 80 31.125 -11.795 -11.277 1.00 22.35 C ATOM 1244 OD1 ASN A 80 31.137 -11.000 -10.337 1.00 54.31 O ATOM 1245 ND2 ASN A 80 31.529 -11.467 -12.498 1.00 73.45 N ATOM 0 H ASN A 80 29.182 -15.385 -10.172 1.00 71.45 H new ATOM 0 HA ASN A 80 29.688 -12.614 -9.255 1.00 31.10 H new ATOM 0 HB2 ASN A 80 31.471 -13.842 -10.754 1.00 20.23 H new ATOM 0 HB3 ASN A 80 30.304 -13.618 -12.042 1.00 20.23 H new ATOM 0 HD21 ASN A 80 31.867 -10.523 -12.687 1.00 73.45 H new ATOM 0 HD22 ASN A 80 31.502 -12.159 -13.247 1.00 73.45 H new ATOM 1252 N PHE A 81 27.831 -11.661 -10.669 1.00 73.24 N ATOM 1253 CA PHE A 81 26.592 -11.174 -11.265 1.00 32.41 C ATOM 1254 C PHE A 81 26.833 -10.668 -12.684 1.00 74.41 C ATOM 1255 O PHE A 81 27.943 -10.756 -13.206 1.00 23.44 O ATOM 1256 CB PHE A 81 25.994 -10.057 -10.408 1.00 34.04 C ATOM 1257 CG PHE A 81 26.957 -8.942 -10.119 1.00 3.31 C ATOM 1258 CD1 PHE A 81 27.305 -8.035 -11.108 1.00 32.44 C ATOM 1259 CD2 PHE A 81 27.515 -8.799 -8.859 1.00 23.43 C ATOM 1260 CE1 PHE A 81 28.192 -7.009 -10.845 1.00 10.23 C ATOM 1261 CE2 PHE A 81 28.403 -7.774 -8.590 1.00 32.43 C ATOM 1262 CZ PHE A 81 28.741 -6.877 -9.584 1.00 33.31 C ATOM 0 H PHE A 81 28.389 -10.941 -10.210 1.00 73.24 H new ATOM 0 HA PHE A 81 25.888 -12.005 -11.309 1.00 32.41 H new ATOM 0 HB2 PHE A 81 25.120 -9.649 -10.916 1.00 34.04 H new ATOM 0 HB3 PHE A 81 25.647 -10.480 -9.465 1.00 34.04 H new ATOM 0 HD1 PHE A 81 26.878 -8.132 -12.095 1.00 32.44 H new ATOM 0 HD2 PHE A 81 27.253 -9.497 -8.077 1.00 23.43 H new ATOM 0 HE1 PHE A 81 28.456 -6.310 -11.625 1.00 10.23 H new ATOM 0 HE2 PHE A 81 28.832 -7.675 -7.604 1.00 32.43 H new ATOM 0 HZ PHE A 81 29.433 -6.074 -9.376 1.00 33.31 H new ATOM 1272 N ASN A 82 25.783 -10.139 -13.303 1.00 55.32 N ATOM 1273 CA ASN A 82 25.879 -9.619 -14.663 1.00 34.33 C ATOM 1274 C ASN A 82 25.539 -8.133 -14.702 1.00 52.52 C ATOM 1275 O ASN A 82 25.101 -7.559 -13.706 1.00 1.11 O ATOM 1276 CB ASN A 82 24.943 -10.393 -15.594 1.00 14.23 C ATOM 1277 CG ASN A 82 25.467 -10.461 -17.015 1.00 3.31 C ATOM 1278 OD1 ASN A 82 26.671 -10.593 -17.238 1.00 74.45 O ATOM 1279 ND2 ASN A 82 24.564 -10.369 -17.984 1.00 31.41 N ATOM 0 H ASN A 82 24.856 -10.059 -12.885 1.00 55.32 H new ATOM 0 HA ASN A 82 26.907 -9.747 -15.003 1.00 34.33 H new ATOM 0 HB2 ASN A 82 24.809 -11.404 -15.211 1.00 14.23 H new ATOM 0 HB3 ASN A 82 23.961 -9.919 -15.594 1.00 14.23 H new ATOM 0 HD21 ASN A 82 24.858 -10.407 -18.960 1.00 31.41 H new ATOM 0 HD22 ASN A 82 23.577 -10.260 -17.752 1.00 31.41 H new ATOM 1286 N ASN A 83 25.743 -7.515 -15.861 1.00 64.03 N ATOM 1287 CA ASN A 83 25.459 -6.095 -16.031 1.00 52.23 C ATOM 1288 C ASN A 83 23.959 -5.827 -15.947 1.00 3.44 C ATOM 1289 O ASN A 83 23.258 -5.846 -16.957 1.00 52.44 O ATOM 1290 CB ASN A 83 26.001 -5.602 -17.374 1.00 44.23 C ATOM 1291 CG ASN A 83 27.515 -5.658 -17.442 1.00 3.11 C ATOM 1292 OD1 ASN A 83 28.207 -5.120 -16.577 1.00 33.01 O ATOM 1293 ND2 ASN A 83 28.038 -6.311 -18.473 1.00 75.15 N ATOM 0 H ASN A 83 26.104 -7.976 -16.696 1.00 64.03 H new ATOM 0 HA ASN A 83 25.954 -5.552 -15.226 1.00 52.23 H new ATOM 0 HB2 ASN A 83 25.581 -6.208 -18.177 1.00 44.23 H new ATOM 0 HB3 ASN A 83 25.670 -4.577 -17.542 1.00 44.23 H new ATOM 0 HD21 ASN A 83 29.051 -6.382 -18.571 1.00 75.15 H new ATOM 0 HD22 ASN A 83 27.427 -6.742 -19.167 1.00 75.15 H new ATOM 1300 N GLU A 84 23.476 -5.576 -14.734 1.00 31.43 N ATOM 1301 CA GLU A 84 22.060 -5.304 -14.518 1.00 33.53 C ATOM 1302 C GLU A 84 21.570 -4.199 -15.449 1.00 13.04 C ATOM 1303 O GLU A 84 22.315 -3.278 -15.784 1.00 13.24 O ATOM 1304 CB GLU A 84 21.810 -4.908 -13.061 1.00 41.32 C ATOM 1305 CG GLU A 84 20.337 -4.827 -12.696 1.00 44.11 C ATOM 1306 CD GLU A 84 20.104 -4.147 -11.361 1.00 53.42 C ATOM 1307 OE1 GLU A 84 20.302 -4.803 -10.318 1.00 0.25 O ATOM 1308 OE2 GLU A 84 19.723 -2.957 -11.361 1.00 34.32 O ATOM 0 H GLU A 84 24.044 -5.555 -13.887 1.00 31.43 H new ATOM 0 HA GLU A 84 21.503 -6.215 -14.739 1.00 33.53 H new ATOM 0 HB2 GLU A 84 22.298 -5.631 -12.408 1.00 41.32 H new ATOM 0 HB3 GLU A 84 22.276 -3.941 -12.871 1.00 41.32 H new ATOM 0 HG2 GLU A 84 19.803 -4.283 -13.475 1.00 44.11 H new ATOM 0 HG3 GLU A 84 19.918 -5.833 -12.665 1.00 44.11 H new ATOM 1315 N LYS A 85 20.311 -4.298 -15.864 1.00 4.33 N ATOM 1316 CA LYS A 85 19.719 -3.307 -16.755 1.00 64.43 C ATOM 1317 C LYS A 85 18.237 -3.117 -16.449 1.00 62.15 C ATOM 1318 O LYS A 85 17.604 -3.977 -15.837 1.00 21.01 O ATOM 1319 CB LYS A 85 19.900 -3.732 -18.214 1.00 74.34 C ATOM 1320 CG LYS A 85 19.417 -5.144 -18.501 1.00 5.21 C ATOM 1321 CD LYS A 85 19.330 -5.411 -19.994 1.00 64.11 C ATOM 1322 CE LYS A 85 20.711 -5.533 -20.620 1.00 44.40 C ATOM 1323 NZ LYS A 85 21.493 -6.653 -20.026 1.00 51.53 N ATOM 0 H LYS A 85 19.681 -5.055 -15.597 1.00 4.33 H new ATOM 0 HA LYS A 85 20.229 -2.357 -16.593 1.00 64.43 H new ATOM 0 HB2 LYS A 85 19.361 -3.035 -18.856 1.00 74.34 H new ATOM 0 HB3 LYS A 85 20.955 -3.657 -18.477 1.00 74.34 H new ATOM 0 HG2 LYS A 85 20.096 -5.862 -18.041 1.00 5.21 H new ATOM 0 HG3 LYS A 85 18.438 -5.294 -18.046 1.00 5.21 H new ATOM 0 HD2 LYS A 85 18.768 -6.329 -20.168 1.00 64.11 H new ATOM 0 HD3 LYS A 85 18.780 -4.604 -20.478 1.00 64.11 H new ATOM 0 HE2 LYS A 85 20.610 -5.690 -21.694 1.00 44.40 H new ATOM 0 HE3 LYS A 85 21.255 -4.598 -20.484 1.00 44.40 H new ATOM 0 HZ1 LYS A 85 21.925 -7.217 -20.786 1.00 51.53 H new ATOM 0 HZ2 LYS A 85 22.240 -6.268 -19.413 1.00 51.53 H new ATOM 0 HZ3 LYS A 85 20.861 -7.257 -19.463 1.00 51.53 H new ATOM 1337 N VAL A 86 17.689 -1.986 -16.881 1.00 50.23 N ATOM 1338 CA VAL A 86 16.280 -1.684 -16.656 1.00 25.01 C ATOM 1339 C VAL A 86 15.420 -2.179 -17.813 1.00 44.03 C ATOM 1340 O VAL A 86 15.903 -2.338 -18.935 1.00 1.51 O ATOM 1341 CB VAL A 86 16.053 -0.172 -16.472 1.00 11.14 C ATOM 1342 CG1 VAL A 86 14.649 0.098 -15.953 1.00 33.43 C ATOM 1343 CG2 VAL A 86 17.098 0.413 -15.534 1.00 41.41 C ATOM 0 H VAL A 86 18.199 -1.263 -17.389 1.00 50.23 H new ATOM 0 HA VAL A 86 15.987 -2.202 -15.743 1.00 25.01 H new ATOM 0 HB VAL A 86 16.156 0.314 -17.442 1.00 11.14 H new ATOM 0 HG11 VAL A 86 14.507 1.172 -15.829 1.00 33.43 H new ATOM 0 HG12 VAL A 86 13.918 -0.285 -16.665 1.00 33.43 H new ATOM 0 HG13 VAL A 86 14.514 -0.399 -14.992 1.00 33.43 H new ATOM 0 HG21 VAL A 86 16.923 1.482 -15.415 1.00 41.41 H new ATOM 0 HG22 VAL A 86 17.029 -0.076 -14.562 1.00 41.41 H new ATOM 0 HG23 VAL A 86 18.092 0.253 -15.951 1.00 41.41 H new ATOM 1353 N ILE A 87 14.144 -2.421 -17.533 1.00 42.15 N ATOM 1354 CA ILE A 87 13.216 -2.896 -18.552 1.00 22.30 C ATOM 1355 C ILE A 87 11.773 -2.592 -18.166 1.00 32.25 C ATOM 1356 O ILE A 87 11.480 -2.285 -17.009 1.00 54.34 O ATOM 1357 CB ILE A 87 13.365 -4.411 -18.786 1.00 31.31 C ATOM 1358 CG1 ILE A 87 13.726 -5.118 -17.478 1.00 30.41 C ATOM 1359 CG2 ILE A 87 14.419 -4.682 -19.849 1.00 73.22 C ATOM 1360 CD1 ILE A 87 12.742 -4.858 -16.359 1.00 5.44 C ATOM 0 H ILE A 87 13.729 -2.296 -16.610 1.00 42.15 H new ATOM 0 HA ILE A 87 13.462 -2.368 -19.474 1.00 22.30 H new ATOM 0 HB ILE A 87 12.412 -4.804 -19.139 1.00 31.31 H new ATOM 0 HG12 ILE A 87 13.783 -6.191 -17.658 1.00 30.41 H new ATOM 0 HG13 ILE A 87 14.718 -4.795 -17.161 1.00 30.41 H new ATOM 0 HG21 ILE A 87 14.513 -5.757 -20.003 1.00 73.22 H new ATOM 0 HG22 ILE A 87 14.124 -4.206 -20.784 1.00 73.22 H new ATOM 0 HG23 ILE A 87 15.377 -4.277 -19.523 1.00 73.22 H new ATOM 0 HD11 ILE A 87 13.061 -5.390 -15.463 1.00 5.44 H new ATOM 0 HD12 ILE A 87 12.702 -3.789 -16.151 1.00 5.44 H new ATOM 0 HD13 ILE A 87 11.753 -5.207 -16.656 1.00 5.44 H new ATOM 1372 N LEU A 88 10.874 -2.682 -19.140 1.00 1.43 N ATOM 1373 CA LEU A 88 9.459 -2.418 -18.902 1.00 1.11 C ATOM 1374 C LEU A 88 8.944 -3.233 -17.720 1.00 64.30 C ATOM 1375 O LEU A 88 8.693 -2.694 -16.642 1.00 74.21 O ATOM 1376 CB LEU A 88 8.642 -2.742 -20.154 1.00 2.20 C ATOM 1377 CG LEU A 88 8.937 -1.887 -21.387 1.00 61.43 C ATOM 1378 CD1 LEU A 88 8.069 -2.322 -22.558 1.00 20.22 C ATOM 1379 CD2 LEU A 88 8.720 -0.413 -21.079 1.00 23.11 C ATOM 0 H LEU A 88 11.100 -2.936 -20.102 1.00 1.43 H new ATOM 0 HA LEU A 88 9.347 -1.360 -18.666 1.00 1.11 H new ATOM 0 HB2 LEU A 88 8.810 -3.787 -20.413 1.00 2.20 H new ATOM 0 HB3 LEU A 88 7.585 -2.640 -19.910 1.00 2.20 H new ATOM 0 HG LEU A 88 9.982 -2.030 -21.663 1.00 61.43 H new ATOM 0 HD11 LEU A 88 8.293 -1.703 -23.427 1.00 20.22 H new ATOM 0 HD12 LEU A 88 8.274 -3.366 -22.795 1.00 20.22 H new ATOM 0 HD13 LEU A 88 7.018 -2.209 -22.293 1.00 20.22 H new ATOM 0 HD21 LEU A 88 8.935 0.180 -21.968 1.00 23.11 H new ATOM 0 HD22 LEU A 88 7.685 -0.253 -20.777 1.00 23.11 H new ATOM 0 HD23 LEU A 88 9.385 -0.109 -20.271 1.00 23.11 H new ATOM 1391 N LYS A 89 8.792 -4.537 -17.929 1.00 11.33 N ATOM 1392 CA LYS A 89 8.311 -5.429 -16.881 1.00 12.24 C ATOM 1393 C LYS A 89 8.951 -6.808 -17.003 1.00 45.42 C ATOM 1394 O LYS A 89 9.786 -7.040 -17.879 1.00 4.14 O ATOM 1395 CB LYS A 89 6.787 -5.555 -16.949 1.00 42.31 C ATOM 1396 CG LYS A 89 6.284 -6.148 -18.253 1.00 60.54 C ATOM 1397 CD LYS A 89 4.814 -6.522 -18.165 1.00 71.44 C ATOM 1398 CE LYS A 89 4.203 -6.712 -19.546 1.00 3.55 C ATOM 1399 NZ LYS A 89 4.633 -7.993 -20.171 1.00 40.33 N ATOM 0 H LYS A 89 8.995 -4.999 -18.815 1.00 11.33 H new ATOM 0 HA LYS A 89 8.592 -5.001 -15.919 1.00 12.24 H new ATOM 0 HB2 LYS A 89 6.445 -6.176 -16.121 1.00 42.31 H new ATOM 0 HB3 LYS A 89 6.343 -4.569 -16.813 1.00 42.31 H new ATOM 0 HG2 LYS A 89 6.430 -5.430 -19.060 1.00 60.54 H new ATOM 0 HG3 LYS A 89 6.871 -7.032 -18.502 1.00 60.54 H new ATOM 0 HD2 LYS A 89 4.705 -7.441 -17.588 1.00 71.44 H new ATOM 0 HD3 LYS A 89 4.271 -5.743 -17.630 1.00 71.44 H new ATOM 0 HE2 LYS A 89 3.116 -6.693 -19.468 1.00 3.55 H new ATOM 0 HE3 LYS A 89 4.491 -5.880 -20.188 1.00 3.55 H new ATOM 0 HZ1 LYS A 89 4.196 -8.085 -21.110 1.00 40.33 H new ATOM 0 HZ2 LYS A 89 5.668 -8.001 -20.269 1.00 40.33 H new ATOM 0 HZ3 LYS A 89 4.336 -8.789 -19.571 1.00 40.33 H new ATOM 1413 N LEU A 90 8.555 -7.720 -16.122 1.00 51.54 N ATOM 1414 CA LEU A 90 9.089 -9.077 -16.133 1.00 45.11 C ATOM 1415 C LEU A 90 8.884 -9.732 -17.495 1.00 34.41 C ATOM 1416 O LEU A 90 8.185 -9.195 -18.355 1.00 2.14 O ATOM 1417 CB LEU A 90 8.422 -9.918 -15.044 1.00 12.45 C ATOM 1418 CG LEU A 90 8.431 -9.321 -13.635 1.00 62.45 C ATOM 1419 CD1 LEU A 90 7.320 -9.926 -12.792 1.00 74.52 C ATOM 1420 CD2 LEU A 90 9.784 -9.539 -12.973 1.00 51.23 C ATOM 0 H LEU A 90 7.866 -7.544 -15.391 1.00 51.54 H new ATOM 0 HA LEU A 90 10.159 -9.021 -15.935 1.00 45.11 H new ATOM 0 HB2 LEU A 90 7.387 -10.098 -15.334 1.00 12.45 H new ATOM 0 HB3 LEU A 90 8.916 -10.889 -15.009 1.00 12.45 H new ATOM 0 HG LEU A 90 8.256 -8.248 -13.714 1.00 62.45 H new ATOM 0 HD11 LEU A 90 7.342 -9.489 -11.793 1.00 74.52 H new ATOM 0 HD12 LEU A 90 6.356 -9.719 -13.257 1.00 74.52 H new ATOM 0 HD13 LEU A 90 7.464 -11.004 -12.720 1.00 74.52 H new ATOM 0 HD21 LEU A 90 9.773 -9.108 -11.972 1.00 51.23 H new ATOM 0 HD22 LEU A 90 9.988 -10.608 -12.906 1.00 51.23 H new ATOM 0 HD23 LEU A 90 10.561 -9.057 -13.566 1.00 51.23 H new ATOM 1432 N ASP A 91 9.494 -10.897 -17.683 1.00 63.03 N ATOM 1433 CA ASP A 91 9.376 -11.628 -18.939 1.00 75.24 C ATOM 1434 C ASP A 91 8.611 -12.933 -18.739 1.00 11.14 C ATOM 1435 O ASP A 91 7.904 -13.394 -19.635 1.00 63.40 O ATOM 1436 CB ASP A 91 10.761 -11.919 -19.518 1.00 42.32 C ATOM 1437 CG ASP A 91 11.356 -10.718 -20.227 1.00 1.45 C ATOM 1438 OD1 ASP A 91 11.429 -9.637 -19.604 1.00 24.32 O ATOM 1439 OD2 ASP A 91 11.749 -10.858 -21.403 1.00 43.02 O ATOM 0 H ASP A 91 10.075 -11.355 -16.981 1.00 63.03 H new ATOM 0 HA ASP A 91 8.821 -11.006 -19.641 1.00 75.24 H new ATOM 0 HB2 ASP A 91 11.429 -12.231 -18.715 1.00 42.32 H new ATOM 0 HB3 ASP A 91 10.692 -12.752 -20.217 1.00 42.32 H new ATOM 1444 N TYR A 92 8.758 -13.523 -17.558 1.00 11.24 N ATOM 1445 CA TYR A 92 8.084 -14.776 -17.240 1.00 61.32 C ATOM 1446 C TYR A 92 6.934 -14.545 -16.265 1.00 12.20 C ATOM 1447 O TYR A 92 7.093 -13.868 -15.249 1.00 61.20 O ATOM 1448 CB TYR A 92 9.077 -15.777 -16.647 1.00 31.32 C ATOM 1449 CG TYR A 92 9.017 -17.144 -17.291 1.00 10.20 C ATOM 1450 CD1 TYR A 92 7.800 -17.773 -17.521 1.00 53.40 C ATOM 1451 CD2 TYR A 92 10.178 -17.806 -17.671 1.00 3.24 C ATOM 1452 CE1 TYR A 92 7.741 -19.021 -18.109 1.00 35.44 C ATOM 1453 CE2 TYR A 92 10.129 -19.054 -18.260 1.00 74.21 C ATOM 1454 CZ TYR A 92 8.907 -19.658 -18.477 1.00 25.05 C ATOM 1455 OH TYR A 92 8.853 -20.901 -19.063 1.00 73.54 O ATOM 0 H TYR A 92 9.338 -13.153 -16.805 1.00 11.24 H new ATOM 0 HA TYR A 92 7.675 -15.184 -18.165 1.00 61.32 H new ATOM 0 HB2 TYR A 92 10.087 -15.380 -16.751 1.00 31.32 H new ATOM 0 HB3 TYR A 92 8.883 -15.879 -15.579 1.00 31.32 H new ATOM 0 HD1 TYR A 92 6.884 -17.277 -17.235 1.00 53.40 H new ATOM 0 HD2 TYR A 92 11.136 -17.336 -17.503 1.00 3.24 H new ATOM 0 HE1 TYR A 92 6.786 -19.496 -18.280 1.00 35.44 H new ATOM 0 HE2 TYR A 92 11.041 -19.554 -18.549 1.00 74.21 H new ATOM 0 HH TYR A 92 9.762 -21.209 -19.262 1.00 73.54 H new ATOM 1465 N SER A 93 5.775 -15.112 -16.582 1.00 74.50 N ATOM 1466 CA SER A 93 4.595 -14.966 -15.737 1.00 24.43 C ATOM 1467 C SER A 93 4.645 -15.939 -14.562 1.00 41.12 C ATOM 1468 O SER A 93 3.771 -15.927 -13.695 1.00 23.40 O ATOM 1469 CB SER A 93 3.324 -15.201 -16.554 1.00 54.21 C ATOM 1470 OG SER A 93 2.165 -15.004 -15.762 1.00 70.33 O ATOM 0 H SER A 93 5.627 -15.677 -17.418 1.00 74.50 H new ATOM 0 HA SER A 93 4.583 -13.949 -15.345 1.00 24.43 H new ATOM 0 HB2 SER A 93 3.305 -14.522 -17.407 1.00 54.21 H new ATOM 0 HB3 SER A 93 3.327 -16.215 -16.954 1.00 54.21 H new ATOM 0 HG SER A 93 2.325 -15.344 -14.857 1.00 70.33 H new ATOM 1476 N ASP A 94 5.674 -16.779 -14.542 1.00 34.54 N ATOM 1477 CA ASP A 94 5.839 -17.759 -13.474 1.00 5.21 C ATOM 1478 C ASP A 94 7.297 -18.193 -13.356 1.00 42.41 C ATOM 1479 O ASP A 94 8.177 -17.632 -14.009 1.00 44.22 O ATOM 1480 CB ASP A 94 4.951 -18.977 -13.728 1.00 34.32 C ATOM 1481 CG ASP A 94 4.364 -19.542 -12.449 1.00 71.52 C ATOM 1482 OD1 ASP A 94 3.674 -18.790 -11.730 1.00 34.35 O ATOM 1483 OD2 ASP A 94 4.594 -20.737 -12.169 1.00 23.14 O ATOM 0 H ASP A 94 6.406 -16.801 -15.252 1.00 34.54 H new ATOM 0 HA ASP A 94 5.540 -17.291 -12.536 1.00 5.21 H new ATOM 0 HB2 ASP A 94 4.142 -18.699 -14.404 1.00 34.32 H new ATOM 0 HB3 ASP A 94 5.534 -19.750 -14.229 1.00 34.32 H new ATOM 1488 N PHE A 95 7.545 -19.194 -12.518 1.00 44.23 N ATOM 1489 CA PHE A 95 8.897 -19.702 -12.313 1.00 51.20 C ATOM 1490 C PHE A 95 8.998 -21.164 -12.736 1.00 64.24 C ATOM 1491 O PHE A 95 8.211 -22.003 -12.299 1.00 62.12 O ATOM 1492 CB PHE A 95 9.302 -19.555 -10.845 1.00 2.20 C ATOM 1493 CG PHE A 95 8.469 -20.381 -9.907 1.00 63.34 C ATOM 1494 CD1 PHE A 95 7.204 -19.961 -9.531 1.00 32.34 C ATOM 1495 CD2 PHE A 95 8.951 -21.578 -9.403 1.00 65.54 C ATOM 1496 CE1 PHE A 95 6.436 -20.720 -8.667 1.00 53.35 C ATOM 1497 CE2 PHE A 95 8.188 -22.341 -8.540 1.00 73.31 C ATOM 1498 CZ PHE A 95 6.928 -21.912 -8.173 1.00 13.34 C ATOM 0 H PHE A 95 6.828 -19.669 -11.970 1.00 44.23 H new ATOM 0 HA PHE A 95 9.577 -19.115 -12.931 1.00 51.20 H new ATOM 0 HB2 PHE A 95 10.348 -19.839 -10.735 1.00 2.20 H new ATOM 0 HB3 PHE A 95 9.225 -18.506 -10.559 1.00 2.20 H new ATOM 0 HD1 PHE A 95 6.813 -19.031 -9.917 1.00 32.34 H new ATOM 0 HD2 PHE A 95 9.935 -21.919 -9.688 1.00 65.54 H new ATOM 0 HE1 PHE A 95 5.452 -20.381 -8.379 1.00 53.35 H new ATOM 0 HE2 PHE A 95 8.577 -23.271 -8.153 1.00 73.31 H new ATOM 0 HZ PHE A 95 6.328 -22.508 -7.501 1.00 13.34 H new ATOM 1508 N GLN A 96 9.973 -21.461 -13.590 1.00 52.43 N ATOM 1509 CA GLN A 96 10.177 -22.821 -14.074 1.00 14.01 C ATOM 1510 C GLN A 96 11.638 -23.054 -14.444 1.00 33.11 C ATOM 1511 O GLN A 96 12.455 -22.135 -14.392 1.00 42.32 O ATOM 1512 CB GLN A 96 9.282 -23.094 -15.284 1.00 51.13 C ATOM 1513 CG GLN A 96 7.933 -23.693 -14.921 1.00 31.11 C ATOM 1514 CD GLN A 96 8.060 -25.004 -14.171 1.00 32.34 C ATOM 1515 OE1 GLN A 96 8.974 -25.790 -14.421 1.00 4.13 O ATOM 1516 NE2 GLN A 96 7.140 -25.248 -13.244 1.00 43.11 N ATOM 0 H GLN A 96 10.634 -20.778 -13.961 1.00 52.43 H new ATOM 0 HA GLN A 96 9.911 -23.509 -13.272 1.00 14.01 H new ATOM 0 HB2 GLN A 96 9.122 -22.161 -15.825 1.00 51.13 H new ATOM 0 HB3 GLN A 96 9.800 -23.771 -15.963 1.00 51.13 H new ATOM 0 HG2 GLN A 96 7.376 -22.982 -14.311 1.00 31.11 H new ATOM 0 HG3 GLN A 96 7.354 -23.854 -15.831 1.00 31.11 H new ATOM 0 HE21 GLN A 96 6.399 -24.569 -13.069 1.00 43.11 H new ATOM 0 HE22 GLN A 96 7.174 -26.115 -12.707 1.00 43.11 H new ATOM 1525 N ILE A 97 11.959 -24.288 -14.816 1.00 72.44 N ATOM 1526 CA ILE A 97 13.321 -24.641 -15.195 1.00 62.35 C ATOM 1527 C ILE A 97 13.412 -24.961 -16.684 1.00 24.33 C ATOM 1528 O ILE A 97 12.493 -25.540 -17.263 1.00 21.33 O ATOM 1529 CB ILE A 97 13.835 -25.849 -14.390 1.00 31.22 C ATOM 1530 CG1 ILE A 97 13.776 -25.552 -12.890 1.00 44.31 C ATOM 1531 CG2 ILE A 97 15.254 -26.202 -14.810 1.00 52.25 C ATOM 1532 CD1 ILE A 97 13.921 -26.783 -12.024 1.00 23.14 C ATOM 0 H ILE A 97 11.294 -25.060 -14.863 1.00 72.44 H new ATOM 0 HA ILE A 97 13.944 -23.775 -14.973 1.00 62.35 H new ATOM 0 HB ILE A 97 13.193 -26.705 -14.598 1.00 31.22 H new ATOM 0 HG12 ILE A 97 14.566 -24.845 -12.637 1.00 44.31 H new ATOM 0 HG13 ILE A 97 12.827 -25.066 -12.661 1.00 44.31 H new ATOM 0 HG21 ILE A 97 15.602 -27.058 -14.232 1.00 52.25 H new ATOM 0 HG22 ILE A 97 15.268 -26.451 -15.871 1.00 52.25 H new ATOM 0 HG23 ILE A 97 15.910 -25.350 -14.629 1.00 52.25 H new ATOM 0 HD11 ILE A 97 13.870 -26.497 -10.973 1.00 23.14 H new ATOM 0 HD12 ILE A 97 13.116 -27.483 -12.249 1.00 23.14 H new ATOM 0 HD13 ILE A 97 14.882 -27.258 -12.224 1.00 23.14 H new ATOM 1544 N VAL A 98 14.529 -24.582 -17.298 1.00 14.23 N ATOM 1545 CA VAL A 98 14.742 -24.831 -18.718 1.00 41.34 C ATOM 1546 C VAL A 98 15.552 -26.104 -18.938 1.00 12.33 C ATOM 1547 O VAL A 98 16.529 -26.361 -18.234 1.00 15.14 O ATOM 1548 CB VAL A 98 15.468 -23.651 -19.392 1.00 22.10 C ATOM 1549 CG1 VAL A 98 15.545 -23.860 -20.897 1.00 33.03 C ATOM 1550 CG2 VAL A 98 14.772 -22.339 -19.062 1.00 62.32 C ATOM 0 H VAL A 98 15.300 -24.102 -16.834 1.00 14.23 H new ATOM 0 HA VAL A 98 13.757 -24.948 -19.170 1.00 41.34 H new ATOM 0 HB VAL A 98 16.485 -23.604 -19.004 1.00 22.10 H new ATOM 0 HG11 VAL A 98 16.061 -23.016 -21.356 1.00 33.03 H new ATOM 0 HG12 VAL A 98 16.092 -24.779 -21.109 1.00 33.03 H new ATOM 0 HG13 VAL A 98 14.537 -23.935 -21.306 1.00 33.03 H new ATOM 0 HG21 VAL A 98 15.298 -21.516 -19.546 1.00 62.32 H new ATOM 0 HG22 VAL A 98 13.743 -22.373 -19.420 1.00 62.32 H new ATOM 0 HG23 VAL A 98 14.775 -22.187 -17.983 1.00 62.32 H new ATOM 1560 N LYS A 99 15.140 -26.898 -19.920 1.00 31.54 N ATOM 1561 CA LYS A 99 15.827 -28.145 -20.235 1.00 21.23 C ATOM 1562 C LYS A 99 17.278 -27.883 -20.625 1.00 61.04 C ATOM 1563 O LYS A 99 18.088 -28.807 -20.699 1.00 21.43 O ATOM 1564 CB LYS A 99 15.106 -28.876 -21.370 1.00 23.12 C ATOM 1565 CG LYS A 99 15.026 -28.073 -22.656 1.00 44.33 C ATOM 1566 CD LYS A 99 16.224 -28.336 -23.554 1.00 32.43 C ATOM 1567 CE LYS A 99 15.913 -28.015 -25.007 1.00 54.54 C ATOM 1568 NZ LYS A 99 15.411 -26.622 -25.172 1.00 44.00 N ATOM 0 H LYS A 99 14.333 -26.700 -20.512 1.00 31.54 H new ATOM 0 HA LYS A 99 15.817 -28.772 -19.343 1.00 21.23 H new ATOM 0 HB2 LYS A 99 15.620 -29.816 -21.570 1.00 23.12 H new ATOM 0 HB3 LYS A 99 14.096 -29.128 -21.045 1.00 23.12 H new ATOM 0 HG2 LYS A 99 14.109 -28.327 -23.188 1.00 44.33 H new ATOM 0 HG3 LYS A 99 14.974 -27.010 -22.420 1.00 44.33 H new ATOM 0 HD2 LYS A 99 17.069 -27.734 -23.220 1.00 32.43 H new ATOM 0 HD3 LYS A 99 16.523 -29.381 -23.467 1.00 32.43 H new ATOM 0 HE2 LYS A 99 16.811 -28.151 -25.609 1.00 54.54 H new ATOM 0 HE3 LYS A 99 15.168 -28.716 -25.383 1.00 54.54 H new ATOM 0 HZ1 LYS A 99 15.387 -26.379 -26.183 1.00 44.00 H new ATOM 0 HZ2 LYS A 99 14.452 -26.549 -24.776 1.00 44.00 H new ATOM 0 HZ3 LYS A 99 16.043 -25.964 -24.672 1.00 44.00 H new TER 1582 LYS A 99