USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 917 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: B 26 GLN : amide:sc= -3.6! C(o=-6.6!,f=-12!) USER MOD Set 1.2: B 55 GLN : amide:sc= -3! C(o=-6.6!,f=-9.7!) USER MOD Set 2.1: A 28 ASN : amide:sc= -7.3! C(o=-7.6!,f=-15!) USER MOD Set 2.2: B 10 SER OG : rot -170:sc= -0.341 USER MOD Set 3.1: A 40 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.85) USER MOD Set 3.2: A 43 ASN : amide:sc= 0 X(o=-0.11,f=-0.11) USER MOD Set 4.1: A 26 GLN : amide:sc= -1.02 K(o=-2,f=-6.2!) USER MOD Set 4.2: A 55 GLN : amide:sc= -0.967 K(o=-2,f=-7!) USER MOD Set 5.1: A 14 TYR OH : rot -76:sc= -1.35! USER MOD Set 5.2: A 18 HIS :FLIP no HE2:sc= -21.3! C(o=-26!,f=-23!) USER MOD Single : A 1 VAL N :NH3+ 142:sc= -0.642 (180deg=-1.14) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 143:sc= 0.143 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.016) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.97 X(o=-2,f=-1.7) USER MOD Single : A 10 GLN : amide:sc= -1.58 K(o=-1.6,f=-6.7!) USER MOD Single : A 11 ASN : amide:sc= -0.855 K(o=-0.86,f=-4.3!) USER MOD Single : A 21 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.1) USER MOD Single : A 23 ASN : amide:sc= 0.342 K(o=0.34,f=-10!) USER MOD Single : A 32 GLN : amide:sc= -0.568 K(o=-0.57,f=-3.6!) USER MOD Single : A 33 SER OG : rot 5:sc= -0.116 USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= -1.78 (180deg=-2.91) USER MOD Single : A 39 SER OG : rot 48:sc= 0.645 USER MOD Single : A 41 SER OG : rot -95:sc= 0.833 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.877! C(o=-0.88!,f=-10!) USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= 0.00654 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -159:sc= -0.0551 (180deg=-0.556) USER MOD Single : B 3 ASN : amide:sc= -0.0935 K(o=-0.094,f=-1.7) USER MOD Single : B 4 LYS NZ :NH3+ -168:sc= 0.0858 (180deg=0.0576) USER MOD Single : B 6 ASN : amide:sc= -2.42 K(o=-2.4,f=-7.3!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -21:sc= 0.466 USER MOD Single : B 21 ASN : amide:sc= 0.307 K(o=0.31,f=-0.23) USER MOD Single : B 23 ASN : amide:sc= -4.03! C(o=-4!,f=-11!) USER MOD Single : B 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.013) USER MOD Single : B 28 LYS NZ :NH3+ 144:sc= 0.306 (180deg=0.0111) USER MOD Single : B 33 SER OG : rot -31:sc= -1.62! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -140:sc= -1.42 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -176:sc= 0.0177 (180deg=0.0158) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc=-0.00184 (180deg=-0.00184) USER MOD Single : B 52 ASN : amide:sc= -10.6! C(o=-11!,f=-16!) USER MOD Single : B 58 LYS NZ :NH3+ 171:sc= -0.311 (180deg=-0.337) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.655 -23.489 12.688 1.00 0.00 N ATOM 2 CA VAL A 1 3.626 -22.333 12.718 1.00 0.00 C ATOM 3 C VAL A 1 2.873 -20.988 12.757 1.00 0.00 C ATOM 4 O VAL A 1 1.663 -20.937 12.601 1.00 0.00 O ATOM 5 CB VAL A 1 4.498 -22.423 11.436 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.442 -23.628 11.520 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.622 -22.544 10.176 1.00 0.00 C ATOM 0 H1 VAL A 1 3.022 -24.235 12.063 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.538 -23.869 13.649 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.735 -23.160 12.332 1.00 0.00 H new ATOM 0 HA VAL A 1 4.247 -22.386 13.612 1.00 0.00 H new ATOM 0 HB VAL A 1 5.083 -21.506 11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.048 -23.680 10.615 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.094 -23.520 12.387 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.857 -24.542 11.618 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.260 -22.605 9.294 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.009 -23.443 10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 1 2.976 -21.670 10.097 1.00 0.00 H new ATOM 19 N ASP A 2 3.592 -19.899 12.959 1.00 0.00 N ATOM 20 CA ASP A 2 2.940 -18.543 13.007 1.00 0.00 C ATOM 21 C ASP A 2 2.615 -18.042 11.584 1.00 0.00 C ATOM 22 O ASP A 2 3.088 -18.590 10.599 1.00 0.00 O ATOM 23 CB ASP A 2 3.958 -17.613 13.709 1.00 0.00 C ATOM 24 CG ASP A 2 5.157 -17.317 12.791 1.00 0.00 C ATOM 25 OD1 ASP A 2 6.066 -18.130 12.744 1.00 0.00 O ATOM 26 OD2 ASP A 2 5.143 -16.279 12.151 1.00 0.00 O ATOM 0 H ASP A 2 4.603 -19.893 13.093 1.00 0.00 H new ATOM 0 HA ASP A 2 1.993 -18.570 13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.470 -16.679 13.989 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.307 -18.079 14.630 1.00 0.00 H new ATOM 31 N ASN A 3 1.814 -17.001 11.479 1.00 0.00 N ATOM 32 CA ASN A 3 1.445 -16.443 10.133 1.00 0.00 C ATOM 33 C ASN A 3 1.868 -14.963 10.026 1.00 0.00 C ATOM 34 O ASN A 3 1.085 -14.111 9.644 1.00 0.00 O ATOM 35 CB ASN A 3 -0.081 -16.602 10.037 1.00 0.00 C ATOM 36 CG ASN A 3 -0.445 -18.086 9.885 1.00 0.00 C ATOM 37 OD1 ASN A 3 -1.095 -18.652 10.741 1.00 0.00 O ATOM 38 ND2 ASN A 3 -0.053 -18.748 8.827 1.00 0.00 N ATOM 0 H ASN A 3 1.399 -16.513 12.272 1.00 0.00 H new ATOM 0 HA ASN A 3 1.950 -16.960 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.555 -16.192 10.929 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.461 -16.037 9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.293 -19.734 8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.493 -18.278 8.105 1.00 0.00 H new ATOM 45 N LYS A 4 3.109 -14.657 10.364 1.00 0.00 N ATOM 46 CA LYS A 4 3.598 -13.228 10.283 1.00 0.00 C ATOM 47 C LYS A 4 3.556 -12.705 8.835 1.00 0.00 C ATOM 48 O LYS A 4 3.121 -11.595 8.602 1.00 0.00 O ATOM 49 CB LYS A 4 5.046 -13.218 10.837 1.00 0.00 C ATOM 50 CG LYS A 4 5.974 -14.133 10.017 1.00 0.00 C ATOM 51 CD LYS A 4 7.326 -14.265 10.722 1.00 0.00 C ATOM 52 CE LYS A 4 8.211 -15.262 9.962 1.00 0.00 C ATOM 53 NZ LYS A 4 7.921 -16.600 10.564 1.00 0.00 N ATOM 0 H LYS A 4 3.802 -15.331 10.691 1.00 0.00 H new ATOM 0 HA LYS A 4 2.955 -12.568 10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.434 -12.200 10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.040 -13.543 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.518 -15.116 9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.113 -13.723 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.817 -13.293 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.180 -14.602 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.983 -15.254 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.266 -15.007 10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.933 -17.326 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.644 -16.824 11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.984 -16.582 11.014 1.00 0.00 H new ATOM 67 N PHE A 5 3.996 -13.494 7.869 1.00 0.00 N ATOM 68 CA PHE A 5 3.992 -13.044 6.435 1.00 0.00 C ATOM 69 C PHE A 5 2.572 -12.765 5.913 1.00 0.00 C ATOM 70 O PHE A 5 2.416 -12.005 4.975 1.00 0.00 O ATOM 71 CB PHE A 5 4.663 -14.172 5.627 1.00 0.00 C ATOM 72 CG PHE A 5 6.150 -14.288 5.965 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.866 -13.199 6.504 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.813 -15.500 5.729 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.227 -13.332 6.802 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.175 -15.626 6.027 1.00 0.00 C ATOM 77 CZ PHE A 5 8.881 -14.543 6.561 1.00 0.00 C ATOM 0 H PHE A 5 4.359 -14.435 8.018 1.00 0.00 H new ATOM 0 HA PHE A 5 4.530 -12.101 6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.165 -15.119 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.544 -13.979 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.363 -12.261 6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.272 -16.339 5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.772 -12.498 7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.682 -16.562 5.844 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.932 -14.643 6.787 1.00 0.00 H new ATOM 87 N ASN A 6 1.540 -13.357 6.505 1.00 0.00 N ATOM 88 CA ASN A 6 0.134 -13.098 6.024 1.00 0.00 C ATOM 89 C ASN A 6 -0.162 -11.586 6.041 1.00 0.00 C ATOM 90 O ASN A 6 -0.527 -11.030 5.029 1.00 0.00 O ATOM 91 CB ASN A 6 -0.799 -13.846 6.993 1.00 0.00 C ATOM 92 CG ASN A 6 -1.007 -15.290 6.511 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.088 -15.648 6.094 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.014 -16.140 6.550 1.00 0.00 N ATOM 0 H ASN A 6 1.615 -14.001 7.292 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.009 -13.443 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.371 -13.846 7.996 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.759 -13.333 7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.151 -17.099 6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.897 -15.844 6.900 1.00 0.00 H new ATOM 101 N LYS A 7 0.025 -10.920 7.171 1.00 0.00 N ATOM 102 CA LYS A 7 -0.210 -9.433 7.235 1.00 0.00 C ATOM 103 C LYS A 7 1.094 -8.634 7.011 1.00 0.00 C ATOM 104 O LYS A 7 1.031 -7.472 6.690 1.00 0.00 O ATOM 105 CB LYS A 7 -0.784 -9.154 8.621 1.00 0.00 C ATOM 106 CG LYS A 7 -1.194 -7.686 8.747 1.00 0.00 C ATOM 107 CD LYS A 7 -1.143 -7.280 10.217 1.00 0.00 C ATOM 108 CE LYS A 7 -2.388 -7.797 10.956 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.874 -8.432 12.210 1.00 0.00 N ATOM 0 H LYS A 7 0.329 -11.344 8.047 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.893 -9.119 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.647 -9.795 8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.044 -9.397 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.526 -7.057 8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.199 -7.541 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.243 -7.682 10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.087 -6.195 10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.076 -6.983 11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.935 -8.517 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.672 -8.806 12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.228 -9.209 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.365 -7.723 12.775 1.00 0.00 H new ATOM 123 N GLU A 8 2.270 -9.231 7.163 1.00 0.00 N ATOM 124 CA GLU A 8 3.551 -8.465 6.931 1.00 0.00 C ATOM 125 C GLU A 8 3.590 -7.948 5.503 1.00 0.00 C ATOM 126 O GLU A 8 4.074 -6.866 5.260 1.00 0.00 O ATOM 127 CB GLU A 8 4.712 -9.437 7.163 1.00 0.00 C ATOM 128 CG GLU A 8 5.102 -9.439 8.644 1.00 0.00 C ATOM 129 CD GLU A 8 5.569 -8.038 9.075 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.548 -7.557 8.522 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.940 -7.476 9.957 1.00 0.00 O ATOM 0 H GLU A 8 2.394 -10.206 7.435 1.00 0.00 H new ATOM 0 HA GLU A 8 3.620 -7.612 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.424 -10.441 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.568 -9.147 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.251 -9.749 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.897 -10.164 8.817 1.00 0.00 H new ATOM 138 N GLN A 9 3.053 -8.702 4.566 1.00 0.00 N ATOM 139 CA GLN A 9 3.018 -8.241 3.160 1.00 0.00 C ATOM 140 C GLN A 9 2.147 -6.978 3.059 1.00 0.00 C ATOM 141 O GLN A 9 2.520 -6.046 2.398 1.00 0.00 O ATOM 142 CB GLN A 9 2.424 -9.371 2.331 1.00 0.00 C ATOM 143 CG GLN A 9 3.359 -10.580 2.295 1.00 0.00 C ATOM 144 CD GLN A 9 2.694 -11.688 1.473 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.122 -12.606 2.023 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.737 -11.634 0.165 1.00 0.00 N ATOM 0 H GLN A 9 2.639 -9.620 4.729 1.00 0.00 H new ATOM 0 HA GLN A 9 4.015 -7.993 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.461 -9.665 2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.238 -9.022 1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.317 -10.304 1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.563 -10.930 3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.218 -10.863 -0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.290 -12.363 -0.391 1.00 0.00 H new ATOM 155 N GLN A 10 1.017 -6.930 3.760 1.00 0.00 N ATOM 156 CA GLN A 10 0.165 -5.673 3.747 1.00 0.00 C ATOM 157 C GLN A 10 0.781 -4.636 4.677 1.00 0.00 C ATOM 158 O GLN A 10 0.749 -3.469 4.371 1.00 0.00 O ATOM 159 CB GLN A 10 -1.294 -5.950 4.153 1.00 0.00 C ATOM 160 CG GLN A 10 -1.544 -7.317 4.798 1.00 0.00 C ATOM 161 CD GLN A 10 -1.769 -8.369 3.716 1.00 0.00 C ATOM 162 OE1 GLN A 10 -0.850 -9.058 3.330 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.956 -8.518 3.200 1.00 0.00 N ATOM 0 H GLN A 10 0.654 -7.694 4.331 1.00 0.00 H new ATOM 0 HA GLN A 10 0.144 -5.295 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.614 -5.174 4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.923 -5.864 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.693 -7.597 5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.413 -7.266 5.454 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.730 -7.938 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.112 -9.215 2.471 1.00 0.00 H new ATOM 172 N ASN A 11 1.380 -5.044 5.786 1.00 0.00 N ATOM 173 CA ASN A 11 2.050 -4.043 6.681 1.00 0.00 C ATOM 174 C ASN A 11 3.156 -3.367 5.857 1.00 0.00 C ATOM 175 O ASN A 11 3.295 -2.161 5.849 1.00 0.00 O ATOM 176 CB ASN A 11 2.705 -4.830 7.835 1.00 0.00 C ATOM 177 CG ASN A 11 1.689 -5.285 8.888 1.00 0.00 C ATOM 178 OD1 ASN A 11 0.659 -4.673 9.082 1.00 0.00 O ATOM 179 ND2 ASN A 11 1.958 -6.345 9.605 1.00 0.00 N ATOM 0 H ASN A 11 1.430 -6.013 6.100 1.00 0.00 H new ATOM 0 HA ASN A 11 1.349 -3.303 7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.218 -5.702 7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.462 -4.207 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.303 -6.654 10.324 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.822 -6.863 9.446 1.00 0.00 H new ATOM 186 N ALA A 12 3.910 -4.176 5.127 1.00 0.00 N ATOM 187 CA ALA A 12 4.994 -3.660 4.241 1.00 0.00 C ATOM 188 C ALA A 12 4.382 -2.946 3.037 1.00 0.00 C ATOM 189 O ALA A 12 4.807 -1.872 2.688 1.00 0.00 O ATOM 190 CB ALA A 12 5.773 -4.896 3.783 1.00 0.00 C ATOM 0 H ALA A 12 3.808 -5.191 5.117 1.00 0.00 H new ATOM 0 HA ALA A 12 5.638 -2.946 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.587 -4.590 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.182 -5.411 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.105 -5.568 3.244 1.00 0.00 H new ATOM 196 N PHE A 13 3.366 -3.538 2.422 1.00 0.00 N ATOM 197 CA PHE A 13 2.679 -2.896 1.247 1.00 0.00 C ATOM 198 C PHE A 13 2.195 -1.511 1.670 1.00 0.00 C ATOM 199 O PHE A 13 2.575 -0.511 1.095 1.00 0.00 O ATOM 200 CB PHE A 13 1.476 -3.822 0.917 1.00 0.00 C ATOM 201 CG PHE A 13 0.543 -3.164 -0.067 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.043 -2.598 -1.240 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.835 -3.162 0.178 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.171 -2.038 -2.159 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.702 -2.591 -0.744 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.202 -2.036 -1.908 1.00 0.00 C ATOM 0 H PHE A 13 2.985 -4.445 2.691 1.00 0.00 H new ATOM 0 HA PHE A 13 3.330 -2.778 0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.839 -4.764 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.935 -4.062 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.106 -2.596 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.224 -3.604 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.554 -1.603 -3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.765 -2.580 -0.553 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.878 -1.598 -2.627 1.00 0.00 H new ATOM 216 N TYR A 14 1.387 -1.475 2.705 1.00 0.00 N ATOM 217 CA TYR A 14 0.855 -0.195 3.245 1.00 0.00 C ATOM 218 C TYR A 14 2.002 0.771 3.563 1.00 0.00 C ATOM 219 O TYR A 14 2.032 1.861 3.052 1.00 0.00 O ATOM 220 CB TYR A 14 0.146 -0.598 4.523 1.00 0.00 C ATOM 221 CG TYR A 14 -0.554 0.586 5.126 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.827 0.940 4.683 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.058 1.312 6.152 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.486 1.996 5.254 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.609 2.383 6.740 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.886 2.732 6.297 1.00 0.00 C ATOM 227 OH TYR A 14 -2.556 3.786 6.887 1.00 0.00 O ATOM 0 H TYR A 14 1.070 -2.305 3.206 1.00 0.00 H new ATOM 0 HA TYR A 14 0.199 0.315 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.575 -1.388 4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.866 -1.004 5.234 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.295 0.380 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.048 1.042 6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.471 2.267 4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.140 2.942 7.536 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.536 4.562 6.289 1.00 0.00 H new ATOM 237 N GLU A 15 2.960 0.367 4.384 1.00 0.00 N ATOM 238 CA GLU A 15 4.103 1.288 4.709 1.00 0.00 C ATOM 239 C GLU A 15 4.823 1.714 3.423 1.00 0.00 C ATOM 240 O GLU A 15 5.134 2.871 3.273 1.00 0.00 O ATOM 241 CB GLU A 15 5.032 0.519 5.651 1.00 0.00 C ATOM 242 CG GLU A 15 4.392 0.385 7.047 1.00 0.00 C ATOM 243 CD GLU A 15 4.096 1.770 7.644 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.033 2.534 7.828 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.934 2.044 7.900 1.00 0.00 O ATOM 0 H GLU A 15 2.996 -0.548 4.834 1.00 0.00 H new ATOM 0 HA GLU A 15 3.757 2.204 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.237 -0.470 5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.988 1.036 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.469 -0.191 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.061 -0.166 7.708 1.00 0.00 H new ATOM 252 N ILE A 16 5.031 0.811 2.471 1.00 0.00 N ATOM 253 CA ILE A 16 5.667 1.221 1.163 1.00 0.00 C ATOM 254 C ILE A 16 4.824 2.357 0.544 1.00 0.00 C ATOM 255 O ILE A 16 5.350 3.390 0.167 1.00 0.00 O ATOM 256 CB ILE A 16 5.681 -0.066 0.296 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.992 -0.805 0.581 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.579 0.250 -1.204 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.773 -2.309 0.508 1.00 0.00 C ATOM 0 H ILE A 16 4.790 -0.177 2.545 1.00 0.00 H new ATOM 0 HA ILE A 16 6.681 1.607 1.263 1.00 0.00 H new ATOM 0 HB ILE A 16 4.816 -0.678 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.752 -0.505 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.365 -0.532 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.592 -0.679 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.649 0.783 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.423 0.871 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.712 -2.824 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.029 -2.605 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.421 -2.578 -0.488 1.00 0.00 H new ATOM 271 N LEU A 17 3.518 2.174 0.486 1.00 0.00 N ATOM 272 CA LEU A 17 2.606 3.250 -0.055 1.00 0.00 C ATOM 273 C LEU A 17 2.592 4.490 0.883 1.00 0.00 C ATOM 274 O LEU A 17 2.542 5.610 0.428 1.00 0.00 O ATOM 275 CB LEU A 17 1.181 2.654 -0.088 1.00 0.00 C ATOM 276 CG LEU A 17 1.076 1.449 -1.040 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.317 0.321 -0.373 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.263 1.792 -2.261 1.00 0.00 C ATOM 0 H LEU A 17 3.042 1.325 0.790 1.00 0.00 H new ATOM 0 HA LEU A 17 2.949 3.565 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.894 2.346 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.474 3.423 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 17 2.097 1.170 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.249 -0.526 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.841 0.016 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.686 0.660 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.205 0.923 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.742 2.085 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.737 2.617 -2.794 1.00 0.00 H new ATOM 290 N HIS A 18 2.599 4.282 2.189 1.00 0.00 N ATOM 291 CA HIS A 18 2.529 5.430 3.175 1.00 0.00 C ATOM 292 C HIS A 18 3.900 6.068 3.497 1.00 0.00 C ATOM 293 O HIS A 18 3.940 7.068 4.197 1.00 0.00 O ATOM 294 CB HIS A 18 1.915 4.828 4.455 1.00 0.00 C ATOM 295 CG HIS A 18 0.441 4.580 4.246 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.244 3.527 3.699 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.534 5.511 4.576 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.579 3.812 3.665 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.717 4.983 4.211 1.00 0.00 N flip ATOM 0 H HIS A 18 2.651 3.359 2.619 1.00 0.00 H new ATOM 0 HA HIS A 18 1.939 6.241 2.748 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.418 3.894 4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.064 5.507 5.295 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.180 2.660 3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.374 6.474 5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.364 3.188 3.264 1.00 0.00 H new ATOM 307 N LEU A 19 5.011 5.530 3.015 1.00 0.00 N ATOM 308 CA LEU A 19 6.346 6.157 3.333 1.00 0.00 C ATOM 309 C LEU A 19 6.420 7.564 2.697 1.00 0.00 C ATOM 310 O LEU A 19 6.192 7.711 1.507 1.00 0.00 O ATOM 311 CB LEU A 19 7.423 5.222 2.748 1.00 0.00 C ATOM 312 CG LEU A 19 7.820 4.151 3.784 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.730 3.108 3.127 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.562 4.796 4.963 1.00 0.00 C ATOM 0 H LEU A 19 5.049 4.698 2.426 1.00 0.00 H new ATOM 0 HA LEU A 19 6.494 6.277 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.046 4.742 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.300 5.802 2.459 1.00 0.00 H new ATOM 0 HG LEU A 19 6.913 3.671 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.008 2.353 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.201 2.632 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.629 3.596 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.835 4.027 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.463 5.289 4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.915 5.530 5.442 1.00 0.00 H new ATOM 326 N PRO A 20 6.704 8.562 3.526 1.00 0.00 N ATOM 327 CA PRO A 20 6.767 9.985 3.053 1.00 0.00 C ATOM 328 C PRO A 20 7.878 10.251 2.012 1.00 0.00 C ATOM 329 O PRO A 20 7.785 11.216 1.274 1.00 0.00 O ATOM 330 CB PRO A 20 7.008 10.782 4.337 1.00 0.00 C ATOM 331 CG PRO A 20 7.632 9.806 5.276 1.00 0.00 C ATOM 332 CD PRO A 20 6.999 8.478 4.971 1.00 0.00 C ATOM 0 HA PRO A 20 5.854 10.264 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.664 11.634 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.075 11.177 4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.712 9.765 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.456 10.094 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.672 7.651 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.094 8.320 5.557 1.00 0.00 H new ATOM 340 N ASN A 21 8.911 9.425 1.930 1.00 0.00 N ATOM 341 CA ASN A 21 9.987 9.673 0.917 1.00 0.00 C ATOM 342 C ASN A 21 10.004 8.572 -0.163 1.00 0.00 C ATOM 343 O ASN A 21 10.912 8.524 -0.978 1.00 0.00 O ATOM 344 CB ASN A 21 11.295 9.720 1.717 1.00 0.00 C ATOM 345 CG ASN A 21 11.317 10.978 2.595 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.246 12.083 2.093 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.405 10.864 3.892 1.00 0.00 N ATOM 0 H ASN A 21 9.047 8.602 2.517 1.00 0.00 H new ATOM 0 HA ASN A 21 9.827 10.603 0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.385 8.829 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.148 9.723 1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.414 11.699 4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.465 9.940 4.320 1.00 0.00 H new ATOM 354 N LEU A 22 8.983 7.719 -0.213 1.00 0.00 N ATOM 355 CA LEU A 22 8.930 6.671 -1.278 1.00 0.00 C ATOM 356 C LEU A 22 8.134 7.215 -2.458 1.00 0.00 C ATOM 357 O LEU A 22 7.009 7.674 -2.306 1.00 0.00 O ATOM 358 CB LEU A 22 8.218 5.436 -0.680 1.00 0.00 C ATOM 359 CG LEU A 22 9.204 4.430 -0.027 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.742 3.007 -0.329 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.622 4.580 -0.573 1.00 0.00 C ATOM 0 H LEU A 22 8.198 7.714 0.438 1.00 0.00 H new ATOM 0 HA LEU A 22 9.928 6.398 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.495 5.765 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.657 4.930 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 22 9.214 4.634 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.431 2.296 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.742 2.855 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.723 2.852 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.277 3.856 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.618 4.402 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.984 5.588 -0.373 1.00 0.00 H new ATOM 373 N ASN A 23 8.703 7.148 -3.633 1.00 0.00 N ATOM 374 CA ASN A 23 7.988 7.645 -4.853 1.00 0.00 C ATOM 375 C ASN A 23 7.364 6.473 -5.601 1.00 0.00 C ATOM 376 O ASN A 23 7.364 5.356 -5.125 1.00 0.00 O ATOM 377 CB ASN A 23 9.028 8.383 -5.727 1.00 0.00 C ATOM 378 CG ASN A 23 10.152 7.449 -6.235 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.355 6.365 -5.725 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.901 7.837 -7.231 1.00 0.00 N ATOM 0 H ASN A 23 9.635 6.770 -3.804 1.00 0.00 H new ATOM 0 HA ASN A 23 7.179 8.326 -4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.523 8.835 -6.581 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.470 9.196 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.648 7.232 -7.573 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.740 8.745 -7.667 1.00 0.00 H new ATOM 387 N GLU A 24 6.838 6.726 -6.765 1.00 0.00 N ATOM 388 CA GLU A 24 6.204 5.619 -7.559 1.00 0.00 C ATOM 389 C GLU A 24 7.261 4.578 -7.973 1.00 0.00 C ATOM 390 O GLU A 24 6.988 3.402 -7.991 1.00 0.00 O ATOM 391 CB GLU A 24 5.592 6.287 -8.802 1.00 0.00 C ATOM 392 CG GLU A 24 4.374 7.135 -8.405 1.00 0.00 C ATOM 393 CD GLU A 24 3.180 6.787 -9.301 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.054 7.394 -10.352 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.413 5.915 -8.919 1.00 0.00 O ATOM 0 H GLU A 24 6.816 7.645 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 24 5.449 5.092 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.337 6.915 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.294 5.526 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.120 6.955 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.612 8.195 -8.497 1.00 0.00 H new ATOM 402 N GLU A 25 8.473 4.996 -8.285 1.00 0.00 N ATOM 403 CA GLU A 25 9.537 4.008 -8.683 1.00 0.00 C ATOM 404 C GLU A 25 9.820 3.035 -7.522 1.00 0.00 C ATOM 405 O GLU A 25 9.802 1.831 -7.698 1.00 0.00 O ATOM 406 CB GLU A 25 10.779 4.862 -8.986 1.00 0.00 C ATOM 407 CG GLU A 25 11.939 3.971 -9.446 1.00 0.00 C ATOM 408 CD GLU A 25 13.226 4.803 -9.534 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.720 5.213 -8.492 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.699 5.011 -10.639 1.00 0.00 O ATOM 0 H GLU A 25 8.769 5.972 -8.281 1.00 0.00 H new ATOM 0 HA GLU A 25 9.240 3.403 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.545 5.594 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.071 5.420 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.075 3.145 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.711 3.533 -10.417 1.00 0.00 H new ATOM 417 N GLN A 26 10.070 3.563 -6.343 1.00 0.00 N ATOM 418 CA GLN A 26 10.366 2.695 -5.150 1.00 0.00 C ATOM 419 C GLN A 26 9.094 2.030 -4.604 1.00 0.00 C ATOM 420 O GLN A 26 9.071 0.834 -4.393 1.00 0.00 O ATOM 421 CB GLN A 26 10.989 3.634 -4.098 1.00 0.00 C ATOM 422 CG GLN A 26 12.288 4.266 -4.643 1.00 0.00 C ATOM 423 CD GLN A 26 13.454 3.260 -4.611 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.280 2.086 -4.869 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.652 3.681 -4.305 1.00 0.00 N ATOM 0 H GLN A 26 10.082 4.565 -6.154 1.00 0.00 H new ATOM 0 HA GLN A 26 11.039 1.879 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.279 4.418 -3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.203 3.077 -3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.128 4.608 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.545 5.144 -4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.806 4.665 -4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.433 3.025 -4.284 1.00 0.00 H new ATOM 434 N ARG A 27 8.048 2.798 -4.362 1.00 0.00 N ATOM 435 CA ARG A 27 6.775 2.224 -3.797 1.00 0.00 C ATOM 436 C ARG A 27 6.139 1.161 -4.722 1.00 0.00 C ATOM 437 O ARG A 27 5.749 0.101 -4.269 1.00 0.00 O ATOM 438 CB ARG A 27 5.804 3.411 -3.701 1.00 0.00 C ATOM 439 CG ARG A 27 4.551 3.025 -2.925 1.00 0.00 C ATOM 440 CD ARG A 27 3.359 2.940 -3.882 1.00 0.00 C ATOM 441 NE ARG A 27 2.802 4.313 -3.913 1.00 0.00 N ATOM 442 CZ ARG A 27 3.119 5.143 -4.874 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.126 5.970 -4.720 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.421 5.151 -5.981 1.00 0.00 N ATOM 0 H ARG A 27 8.023 3.803 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 27 6.982 1.737 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.297 4.251 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.529 3.743 -4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.700 2.066 -2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.353 3.761 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.671 2.617 -4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.619 2.221 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 27 2.164 4.615 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.661 5.966 -3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.374 6.617 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.634 4.512 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.664 5.796 -6.733 1.00 0.00 H new ATOM 458 N ASN A 28 5.996 1.465 -6.005 1.00 0.00 N ATOM 459 CA ASN A 28 5.336 0.497 -6.958 1.00 0.00 C ATOM 460 C ASN A 28 6.223 -0.736 -7.167 1.00 0.00 C ATOM 461 O ASN A 28 5.732 -1.852 -7.171 1.00 0.00 O ATOM 462 CB ASN A 28 5.140 1.239 -8.293 1.00 0.00 C ATOM 463 CG ASN A 28 4.370 2.567 -8.130 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.905 2.907 -7.060 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.221 3.344 -9.167 1.00 0.00 N ATOM 0 H ASN A 28 6.308 2.339 -6.429 1.00 0.00 H new ATOM 0 HA ASN A 28 4.382 0.155 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.114 1.441 -8.738 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.601 0.594 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.718 4.227 -9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.607 3.069 -10.070 1.00 0.00 H new ATOM 472 N ALA A 29 7.529 -0.541 -7.309 1.00 0.00 N ATOM 473 CA ALA A 29 8.456 -1.714 -7.479 1.00 0.00 C ATOM 474 C ALA A 29 8.383 -2.611 -6.248 1.00 0.00 C ATOM 475 O ALA A 29 8.431 -3.823 -6.351 1.00 0.00 O ATOM 476 CB ALA A 29 9.849 -1.129 -7.573 1.00 0.00 C ATOM 0 H ALA A 29 7.982 0.373 -7.314 1.00 0.00 H new ATOM 0 HA ALA A 29 8.194 -2.305 -8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.574 -1.933 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.904 -0.455 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.074 -0.577 -6.661 1.00 0.00 H new ATOM 482 N PHE A 30 8.252 -2.008 -5.084 1.00 0.00 N ATOM 483 CA PHE A 30 8.140 -2.796 -3.826 1.00 0.00 C ATOM 484 C PHE A 30 6.907 -3.652 -3.864 1.00 0.00 C ATOM 485 O PHE A 30 6.959 -4.800 -3.527 1.00 0.00 O ATOM 486 CB PHE A 30 8.044 -1.770 -2.703 1.00 0.00 C ATOM 487 CG PHE A 30 9.434 -1.326 -2.299 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.546 -2.162 -2.518 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.610 -0.093 -1.683 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.803 -1.764 -2.125 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.879 0.300 -1.280 1.00 0.00 C ATOM 492 CZ PHE A 30 11.975 -0.544 -1.502 1.00 0.00 C ATOM 0 H PHE A 30 8.219 -0.996 -4.960 1.00 0.00 H new ATOM 0 HA PHE A 30 8.992 -3.462 -3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.458 -0.911 -3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.526 -2.201 -1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.411 -3.121 -2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.763 0.557 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.654 -2.405 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.021 1.255 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.961 -0.238 -1.184 1.00 0.00 H new ATOM 502 N ILE A 31 5.816 -3.106 -4.315 1.00 0.00 N ATOM 503 CA ILE A 31 4.567 -3.902 -4.434 1.00 0.00 C ATOM 504 C ILE A 31 4.786 -5.056 -5.437 1.00 0.00 C ATOM 505 O ILE A 31 4.190 -6.099 -5.291 1.00 0.00 O ATOM 506 CB ILE A 31 3.513 -2.881 -4.865 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.301 -1.916 -3.694 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.206 -3.575 -5.192 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.671 -0.625 -4.177 1.00 0.00 C ATOM 0 H ILE A 31 5.735 -2.133 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 31 4.250 -4.395 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 31 3.847 -2.349 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.662 -2.381 -2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.256 -1.704 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.467 -2.834 -5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.364 -4.285 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.845 -4.106 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.528 0.048 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.325 -0.153 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.706 -0.841 -4.637 1.00 0.00 H new ATOM 521 N GLN A 32 5.687 -4.904 -6.409 1.00 0.00 N ATOM 522 CA GLN A 32 5.976 -6.041 -7.352 1.00 0.00 C ATOM 523 C GLN A 32 6.812 -7.117 -6.613 1.00 0.00 C ATOM 524 O GLN A 32 6.460 -8.280 -6.615 1.00 0.00 O ATOM 525 CB GLN A 32 6.762 -5.437 -8.530 1.00 0.00 C ATOM 526 CG GLN A 32 5.848 -4.502 -9.334 1.00 0.00 C ATOM 527 CD GLN A 32 6.618 -3.906 -10.519 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.694 -3.366 -10.355 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.111 -3.985 -11.719 1.00 0.00 N ATOM 0 H GLN A 32 6.221 -4.052 -6.580 1.00 0.00 H new ATOM 0 HA GLN A 32 5.066 -6.522 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.627 -4.886 -8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.142 -6.232 -9.172 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.978 -5.052 -9.694 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.477 -3.703 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.208 -4.437 -11.862 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.618 -3.595 -12.513 1.00 0.00 H new ATOM 538 N SER A 33 7.885 -6.715 -5.939 1.00 0.00 N ATOM 539 CA SER A 33 8.734 -7.687 -5.144 1.00 0.00 C ATOM 540 C SER A 33 7.958 -8.232 -3.922 1.00 0.00 C ATOM 541 O SER A 33 8.168 -9.351 -3.490 1.00 0.00 O ATOM 542 CB SER A 33 9.962 -6.880 -4.696 1.00 0.00 C ATOM 543 OG SER A 33 9.548 -5.672 -4.072 1.00 0.00 O ATOM 0 H SER A 33 8.209 -5.748 -5.907 1.00 0.00 H new ATOM 0 HA SER A 33 9.014 -8.556 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.562 -7.470 -4.003 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.594 -6.657 -5.555 1.00 0.00 H new ATOM 0 HG SER A 33 8.571 -5.663 -3.993 1.00 0.00 H new ATOM 549 N LEU A 34 7.077 -7.426 -3.375 1.00 0.00 N ATOM 550 CA LEU A 34 6.258 -7.809 -2.178 1.00 0.00 C ATOM 551 C LEU A 34 5.086 -8.740 -2.575 1.00 0.00 C ATOM 552 O LEU A 34 4.845 -9.735 -1.913 1.00 0.00 O ATOM 553 CB LEU A 34 5.781 -6.440 -1.653 1.00 0.00 C ATOM 554 CG LEU A 34 5.000 -6.544 -0.348 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.935 -6.832 0.801 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.305 -5.213 -0.089 1.00 0.00 C ATOM 0 H LEU A 34 6.886 -6.486 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 34 6.805 -8.379 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.645 -5.793 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.155 -5.965 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 34 4.273 -7.352 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.363 -6.904 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.453 -7.774 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.665 -6.027 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.742 -5.272 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.051 -4.422 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.625 -4.992 -0.911 1.00 0.00 H new ATOM 568 N LYS A 35 4.362 -8.428 -3.649 1.00 0.00 N ATOM 569 CA LYS A 35 3.208 -9.307 -4.084 1.00 0.00 C ATOM 570 C LYS A 35 3.724 -10.666 -4.592 1.00 0.00 C ATOM 571 O LYS A 35 3.099 -11.686 -4.365 1.00 0.00 O ATOM 572 CB LYS A 35 2.445 -8.525 -5.187 1.00 0.00 C ATOM 573 CG LYS A 35 1.370 -7.654 -4.553 1.00 0.00 C ATOM 574 CD LYS A 35 0.023 -7.900 -5.224 1.00 0.00 C ATOM 575 CE LYS A 35 -1.070 -7.853 -4.153 1.00 0.00 C ATOM 576 NZ LYS A 35 -2.338 -7.562 -4.879 1.00 0.00 N ATOM 0 H LYS A 35 4.522 -7.609 -4.235 1.00 0.00 H new ATOM 0 HA LYS A 35 2.539 -9.530 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.140 -7.905 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.992 -9.222 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.298 -7.872 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.643 -6.603 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.163 -7.145 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.021 -8.868 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.134 -8.801 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.858 -7.082 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.981 -7.033 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.131 -6.994 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.788 -8.455 -5.164 1.00 0.00 H new ATOM 590 N ASP A 36 4.869 -10.686 -5.254 1.00 0.00 N ATOM 591 CA ASP A 36 5.444 -11.984 -5.753 1.00 0.00 C ATOM 592 C ASP A 36 6.163 -12.754 -4.619 1.00 0.00 C ATOM 593 O ASP A 36 6.099 -13.971 -4.575 1.00 0.00 O ATOM 594 CB ASP A 36 6.430 -11.601 -6.868 1.00 0.00 C ATOM 595 CG ASP A 36 5.657 -11.307 -8.163 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.182 -10.192 -8.314 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.545 -12.208 -8.978 1.00 0.00 O ATOM 0 H ASP A 36 5.426 -9.859 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 36 4.661 -12.648 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.008 -10.726 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.140 -12.411 -7.033 1.00 0.00 H new ATOM 602 N ASP A 37 6.842 -12.063 -3.710 1.00 0.00 N ATOM 603 CA ASP A 37 7.563 -12.770 -2.591 1.00 0.00 C ATOM 604 C ASP A 37 6.994 -12.361 -1.210 1.00 0.00 C ATOM 605 O ASP A 37 7.251 -11.264 -0.739 1.00 0.00 O ATOM 606 CB ASP A 37 9.037 -12.347 -2.717 1.00 0.00 C ATOM 607 CG ASP A 37 9.938 -13.413 -2.070 1.00 0.00 C ATOM 608 OD1 ASP A 37 9.839 -13.610 -0.867 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.716 -14.014 -2.792 1.00 0.00 O ATOM 0 H ASP A 37 6.924 -11.046 -3.700 1.00 0.00 H new ATOM 0 HA ASP A 37 7.443 -13.851 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.301 -12.222 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.192 -11.383 -2.232 1.00 0.00 H new ATOM 614 N PRO A 38 6.242 -13.270 -0.602 1.00 0.00 N ATOM 615 CA PRO A 38 5.640 -13.011 0.743 1.00 0.00 C ATOM 616 C PRO A 38 6.708 -12.955 1.862 1.00 0.00 C ATOM 617 O PRO A 38 6.623 -12.126 2.749 1.00 0.00 O ATOM 618 CB PRO A 38 4.705 -14.206 0.945 1.00 0.00 C ATOM 619 CG PRO A 38 5.276 -15.288 0.096 1.00 0.00 C ATOM 620 CD PRO A 38 5.870 -14.608 -1.101 1.00 0.00 C ATOM 0 HA PRO A 38 5.134 -12.047 0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.667 -14.505 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.685 -13.965 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.034 -15.851 0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.504 -15.998 -0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.738 -15.149 -1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.154 -14.544 -1.920 1.00 0.00 H new ATOM 628 N SER A 39 7.696 -13.838 1.831 1.00 0.00 N ATOM 629 CA SER A 39 8.767 -13.851 2.897 1.00 0.00 C ATOM 630 C SER A 39 9.616 -12.563 2.874 1.00 0.00 C ATOM 631 O SER A 39 10.033 -12.081 3.913 1.00 0.00 O ATOM 632 CB SER A 39 9.641 -15.071 2.583 1.00 0.00 C ATOM 633 OG SER A 39 10.515 -15.319 3.677 1.00 0.00 O ATOM 0 H SER A 39 7.805 -14.551 1.110 1.00 0.00 H new ATOM 0 HA SER A 39 8.324 -13.902 3.892 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.014 -15.944 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.218 -14.895 1.675 1.00 0.00 H new ATOM 0 HG SER A 39 10.006 -15.297 4.514 1.00 0.00 H new ATOM 639 N GLN A 40 9.867 -12.007 1.702 1.00 0.00 N ATOM 640 CA GLN A 40 10.688 -10.748 1.601 1.00 0.00 C ATOM 641 C GLN A 40 9.897 -9.495 2.017 1.00 0.00 C ATOM 642 O GLN A 40 10.456 -8.422 2.036 1.00 0.00 O ATOM 643 CB GLN A 40 11.063 -10.620 0.111 1.00 0.00 C ATOM 644 CG GLN A 40 12.553 -10.908 -0.098 1.00 0.00 C ATOM 645 CD GLN A 40 13.398 -9.775 0.505 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.150 -9.999 1.431 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.305 -8.562 0.020 1.00 0.00 N ATOM 0 H GLN A 40 9.537 -12.374 0.809 1.00 0.00 H new ATOM 0 HA GLN A 40 11.550 -10.813 2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.467 -11.315 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.828 -9.616 -0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.817 -11.857 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.767 -11.005 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.674 -8.371 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.864 -7.808 0.420 1.00 0.00 H new ATOM 656 N SER A 41 8.608 -9.605 2.297 1.00 0.00 N ATOM 657 CA SER A 41 7.791 -8.385 2.639 1.00 0.00 C ATOM 658 C SER A 41 8.373 -7.543 3.783 1.00 0.00 C ATOM 659 O SER A 41 8.477 -6.341 3.632 1.00 0.00 O ATOM 660 CB SER A 41 6.391 -8.901 3.004 1.00 0.00 C ATOM 661 OG SER A 41 6.451 -9.709 4.175 1.00 0.00 O ATOM 0 H SER A 41 8.091 -10.484 2.303 1.00 0.00 H new ATOM 0 HA SER A 41 7.780 -7.710 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.718 -8.060 3.169 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.982 -9.479 2.176 1.00 0.00 H new ATOM 0 HG SER A 41 6.517 -10.652 3.918 1.00 0.00 H new ATOM 667 N ALA A 42 8.755 -8.123 4.907 1.00 0.00 N ATOM 668 CA ALA A 42 9.338 -7.270 6.003 1.00 0.00 C ATOM 669 C ALA A 42 10.604 -6.581 5.495 1.00 0.00 C ATOM 670 O ALA A 42 10.760 -5.390 5.650 1.00 0.00 O ATOM 671 CB ALA A 42 9.718 -8.204 7.120 1.00 0.00 C ATOM 0 H ALA A 42 8.691 -9.121 5.109 1.00 0.00 H new ATOM 0 HA ALA A 42 8.625 -6.513 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.147 -7.632 7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.831 -8.733 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.451 -8.925 6.758 1.00 0.00 H new ATOM 677 N ASN A 43 11.484 -7.333 4.846 1.00 0.00 N ATOM 678 CA ASN A 43 12.727 -6.731 4.256 1.00 0.00 C ATOM 679 C ASN A 43 12.326 -5.658 3.264 1.00 0.00 C ATOM 680 O ASN A 43 12.958 -4.644 3.179 1.00 0.00 O ATOM 681 CB ASN A 43 13.421 -7.838 3.477 1.00 0.00 C ATOM 682 CG ASN A 43 14.686 -8.299 4.212 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.753 -8.339 3.635 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.614 -8.656 5.469 1.00 0.00 N ATOM 0 H ASN A 43 11.387 -8.338 4.704 1.00 0.00 H new ATOM 0 HA ASN A 43 13.365 -6.309 5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.742 -8.680 3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.682 -7.481 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.453 -8.966 5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.719 -8.624 5.958 1.00 0.00 H new ATOM 691 N LEU A 44 11.260 -5.902 2.522 1.00 0.00 N ATOM 692 CA LEU A 44 10.766 -4.909 1.526 1.00 0.00 C ATOM 693 C LEU A 44 10.300 -3.676 2.217 1.00 0.00 C ATOM 694 O LEU A 44 10.619 -2.583 1.792 1.00 0.00 O ATOM 695 CB LEU A 44 9.639 -5.582 0.782 1.00 0.00 C ATOM 696 CG LEU A 44 10.278 -6.492 -0.232 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.199 -7.341 -0.873 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.011 -5.619 -1.254 1.00 0.00 C ATOM 0 H LEU A 44 10.712 -6.761 2.573 1.00 0.00 H new ATOM 0 HA LEU A 44 11.552 -4.603 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.006 -6.147 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.002 -4.845 0.294 1.00 0.00 H new ATOM 0 HG LEU A 44 11.001 -7.167 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.649 -8.006 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.700 -7.934 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.471 -6.695 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.484 -6.255 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.299 -4.953 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.773 -5.027 -0.747 1.00 0.00 H new ATOM 710 N LEU A 45 9.608 -3.820 3.317 1.00 0.00 N ATOM 711 CA LEU A 45 9.237 -2.600 4.049 1.00 0.00 C ATOM 712 C LEU A 45 10.526 -2.008 4.601 1.00 0.00 C ATOM 713 O LEU A 45 10.759 -0.859 4.430 1.00 0.00 O ATOM 714 CB LEU A 45 8.289 -3.001 5.158 1.00 0.00 C ATOM 715 CG LEU A 45 8.117 -1.834 6.138 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.848 -0.528 5.367 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.948 -2.148 7.063 1.00 0.00 C ATOM 0 H LEU A 45 9.297 -4.704 3.721 1.00 0.00 H new ATOM 0 HA LEU A 45 8.741 -1.859 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.323 -3.282 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.676 -3.875 5.682 1.00 0.00 H new ATOM 0 HG LEU A 45 9.028 -1.703 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.728 0.293 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.688 -0.317 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.938 -0.635 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.811 -1.328 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.041 -2.274 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.155 -3.067 7.612 1.00 0.00 H new ATOM 729 N ALA A 46 11.374 -2.804 5.223 1.00 0.00 N ATOM 730 CA ALA A 46 12.678 -2.266 5.756 1.00 0.00 C ATOM 731 C ALA A 46 13.468 -1.550 4.660 1.00 0.00 C ATOM 732 O ALA A 46 13.991 -0.493 4.899 1.00 0.00 O ATOM 733 CB ALA A 46 13.489 -3.483 6.165 1.00 0.00 C ATOM 0 H ALA A 46 11.221 -3.799 5.384 1.00 0.00 H new ATOM 0 HA ALA A 46 12.489 -1.565 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.452 -3.162 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.948 -4.040 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.650 -4.122 5.297 1.00 0.00 H new ATOM 739 N GLU A 47 13.552 -2.113 3.464 1.00 0.00 N ATOM 740 CA GLU A 47 14.293 -1.419 2.368 1.00 0.00 C ATOM 741 C GLU A 47 13.481 -0.190 1.959 1.00 0.00 C ATOM 742 O GLU A 47 14.048 0.853 1.718 1.00 0.00 O ATOM 743 CB GLU A 47 14.552 -2.417 1.224 1.00 0.00 C ATOM 744 CG GLU A 47 13.294 -3.031 0.672 1.00 0.00 C ATOM 745 CD GLU A 47 13.686 -4.243 -0.187 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.785 -5.329 0.367 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.899 -4.067 -1.373 1.00 0.00 O ATOM 0 H GLU A 47 13.142 -3.012 3.212 1.00 0.00 H new ATOM 0 HA GLU A 47 15.275 -1.066 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.082 -1.907 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.207 -3.210 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.634 -3.338 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.747 -2.303 0.074 1.00 0.00 H new ATOM 754 N ALA A 48 12.154 -0.271 1.965 1.00 0.00 N ATOM 755 CA ALA A 48 11.340 0.943 1.695 1.00 0.00 C ATOM 756 C ALA A 48 11.565 1.969 2.836 1.00 0.00 C ATOM 757 O ALA A 48 11.700 3.152 2.592 1.00 0.00 O ATOM 758 CB ALA A 48 9.913 0.422 1.703 1.00 0.00 C ATOM 0 H ALA A 48 11.622 -1.122 2.145 1.00 0.00 H new ATOM 0 HA ALA A 48 11.590 1.447 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.224 1.245 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.798 -0.335 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.692 -0.018 2.675 1.00 0.00 H new ATOM 764 N LYS A 49 11.672 1.488 4.073 1.00 0.00 N ATOM 765 CA LYS A 49 11.962 2.359 5.264 1.00 0.00 C ATOM 766 C LYS A 49 13.371 2.932 5.087 1.00 0.00 C ATOM 767 O LYS A 49 13.631 4.098 5.302 1.00 0.00 O ATOM 768 CB LYS A 49 11.940 1.394 6.472 1.00 0.00 C ATOM 769 CG LYS A 49 10.525 0.924 6.802 1.00 0.00 C ATOM 770 CD LYS A 49 9.625 2.112 7.079 1.00 0.00 C ATOM 771 CE LYS A 49 8.359 1.617 7.779 1.00 0.00 C ATOM 772 NZ LYS A 49 8.140 2.534 8.935 1.00 0.00 N ATOM 0 H LYS A 49 11.566 0.500 4.301 1.00 0.00 H new ATOM 0 HA LYS A 49 11.256 3.180 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.568 0.530 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.369 1.892 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.125 0.343 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.547 0.266 7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.142 2.840 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.369 2.617 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.506 1.635 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.477 0.587 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.286 2.243 9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.961 2.492 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.020 3.507 8.588 1.00 0.00 H new ATOM 786 N LYS A 50 14.252 2.068 4.636 1.00 0.00 N ATOM 787 CA LYS A 50 15.672 2.418 4.338 1.00 0.00 C ATOM 788 C LYS A 50 15.691 3.483 3.227 1.00 0.00 C ATOM 789 O LYS A 50 16.462 4.423 3.273 1.00 0.00 O ATOM 790 CB LYS A 50 16.255 1.060 3.888 1.00 0.00 C ATOM 791 CG LYS A 50 17.487 1.186 2.985 1.00 0.00 C ATOM 792 CD LYS A 50 17.549 -0.060 2.079 1.00 0.00 C ATOM 793 CE LYS A 50 17.884 -1.310 2.920 1.00 0.00 C ATOM 794 NZ LYS A 50 19.302 -1.652 2.594 1.00 0.00 N ATOM 0 H LYS A 50 14.028 1.089 4.456 1.00 0.00 H new ATOM 0 HA LYS A 50 16.242 2.846 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.521 0.479 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.483 0.501 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.425 2.092 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.393 1.264 3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.594 -0.198 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.304 0.080 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.765 -1.108 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.216 -2.136 2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.589 -2.493 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.387 -1.848 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.918 -0.853 2.845 1.00 0.00 H new ATOM 808 N LEU A 51 14.806 3.342 2.255 1.00 0.00 N ATOM 809 CA LEU A 51 14.704 4.340 1.147 1.00 0.00 C ATOM 810 C LEU A 51 14.105 5.641 1.673 1.00 0.00 C ATOM 811 O LEU A 51 14.468 6.709 1.239 1.00 0.00 O ATOM 812 CB LEU A 51 13.755 3.710 0.122 1.00 0.00 C ATOM 813 CG LEU A 51 14.517 3.078 -1.047 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.865 2.510 -0.598 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.681 1.941 -1.608 1.00 0.00 C ATOM 0 H LEU A 51 14.147 2.566 2.189 1.00 0.00 H new ATOM 0 HA LEU A 51 15.678 4.573 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.145 2.951 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.073 4.471 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 51 14.699 3.849 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.377 2.070 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.476 3.310 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.703 1.745 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.209 1.479 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.510 1.197 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.724 2.330 -1.955 1.00 0.00 H new ATOM 827 N ASN A 52 13.182 5.541 2.606 1.00 0.00 N ATOM 828 CA ASN A 52 12.537 6.754 3.186 1.00 0.00 C ATOM 829 C ASN A 52 13.600 7.672 3.818 1.00 0.00 C ATOM 830 O ASN A 52 13.573 8.872 3.626 1.00 0.00 O ATOM 831 CB ASN A 52 11.573 6.222 4.252 1.00 0.00 C ATOM 832 CG ASN A 52 10.681 7.356 4.747 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.790 7.785 4.048 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.894 7.866 5.925 1.00 0.00 N ATOM 0 H ASN A 52 12.849 4.657 2.990 1.00 0.00 H new ATOM 0 HA ASN A 52 12.018 7.347 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.962 5.420 3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.134 5.797 5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.309 8.630 6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.646 7.501 6.510 1.00 0.00 H new ATOM 841 N ASP A 53 14.540 7.103 4.549 1.00 0.00 N ATOM 842 CA ASP A 53 15.627 7.930 5.186 1.00 0.00 C ATOM 843 C ASP A 53 16.720 8.285 4.159 1.00 0.00 C ATOM 844 O ASP A 53 17.234 9.390 4.160 1.00 0.00 O ATOM 845 CB ASP A 53 16.214 7.059 6.310 1.00 0.00 C ATOM 846 CG ASP A 53 15.134 6.739 7.359 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.644 7.665 7.985 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.820 5.571 7.512 1.00 0.00 O ATOM 0 H ASP A 53 14.601 6.101 4.732 1.00 0.00 H new ATOM 0 HA ASP A 53 15.233 8.872 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.610 6.133 5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.048 7.578 6.783 1.00 0.00 H new ATOM 853 N ALA A 54 17.068 7.357 3.282 1.00 0.00 N ATOM 854 CA ALA A 54 18.123 7.631 2.239 1.00 0.00 C ATOM 855 C ALA A 54 17.621 8.684 1.233 1.00 0.00 C ATOM 856 O ALA A 54 18.345 9.598 0.875 1.00 0.00 O ATOM 857 CB ALA A 54 18.363 6.288 1.538 1.00 0.00 C ATOM 0 H ALA A 54 16.665 6.421 3.245 1.00 0.00 H new ATOM 0 HA ALA A 54 19.039 8.025 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.121 6.412 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.705 5.553 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.434 5.944 1.084 1.00 0.00 H new ATOM 863 N GLN A 55 16.379 8.566 0.804 1.00 0.00 N ATOM 864 CA GLN A 55 15.787 9.561 -0.155 1.00 0.00 C ATOM 865 C GLN A 55 15.163 10.759 0.605 1.00 0.00 C ATOM 866 O GLN A 55 14.604 11.652 -0.010 1.00 0.00 O ATOM 867 CB GLN A 55 14.690 8.803 -0.916 1.00 0.00 C ATOM 868 CG GLN A 55 15.285 7.602 -1.675 1.00 0.00 C ATOM 869 CD GLN A 55 14.169 6.890 -2.440 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.248 6.722 -3.639 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.117 6.470 -1.789 1.00 0.00 N ATOM 0 H GLN A 55 15.746 7.815 1.081 1.00 0.00 H new ATOM 0 HA GLN A 55 16.549 9.964 -0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.928 8.457 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.197 9.475 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.058 7.939 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.760 6.914 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.051 6.611 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.362 6.001 -2.289 1.00 0.00 H new ATOM 880 N ALA A 56 15.246 10.783 1.934 1.00 0.00 N ATOM 881 CA ALA A 56 14.652 11.914 2.729 1.00 0.00 C ATOM 882 C ALA A 56 15.400 13.228 2.486 1.00 0.00 C ATOM 883 O ALA A 56 16.565 13.226 2.119 1.00 0.00 O ATOM 884 CB ALA A 56 14.792 11.525 4.205 1.00 0.00 C ATOM 0 H ALA A 56 15.702 10.062 2.494 1.00 0.00 H new ATOM 0 HA ALA A 56 13.614 12.071 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.375 12.314 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.255 10.595 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.846 11.389 4.447 1.00 0.00 H new ATOM 890 N PRO A 57 14.694 14.319 2.717 1.00 0.00 N ATOM 891 CA PRO A 57 15.291 15.663 2.536 1.00 0.00 C ATOM 892 C PRO A 57 16.320 15.965 3.642 1.00 0.00 C ATOM 893 O PRO A 57 16.185 15.508 4.769 1.00 0.00 O ATOM 894 CB PRO A 57 14.092 16.603 2.622 1.00 0.00 C ATOM 895 CG PRO A 57 13.080 15.864 3.432 1.00 0.00 C ATOM 896 CD PRO A 57 13.288 14.402 3.158 1.00 0.00 C ATOM 0 HA PRO A 57 15.836 15.762 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.363 17.547 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.706 16.842 1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.202 16.080 4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.070 16.168 3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.113 13.800 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.606 14.039 2.389 1.00 0.00 H new ATOM 904 N LYS A 58 17.340 16.732 3.322 1.00 0.00 N ATOM 905 CA LYS A 58 18.392 17.081 4.333 1.00 0.00 C ATOM 906 C LYS A 58 18.230 18.541 4.796 1.00 0.00 C ATOM 907 O LYS A 58 18.286 19.432 3.958 1.00 0.00 O ATOM 908 CB LYS A 58 19.734 16.867 3.610 1.00 0.00 C ATOM 909 CG LYS A 58 20.835 16.554 4.632 1.00 0.00 C ATOM 910 CD LYS A 58 21.539 17.851 5.056 1.00 0.00 C ATOM 911 CE LYS A 58 21.243 18.145 6.535 1.00 0.00 C ATOM 912 NZ LYS A 58 21.067 19.627 6.624 1.00 0.00 N ATOM 913 OXT LYS A 58 18.056 18.743 5.985 1.00 0.00 O ATOM 0 H LYS A 58 17.489 17.134 2.396 1.00 0.00 H new ATOM 0 HA LYS A 58 18.322 16.467 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 58 19.646 16.048 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.997 17.759 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.404 16.062 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.558 15.862 4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.614 17.759 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.198 18.680 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 58 20.345 17.623 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.061 17.809 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.316 19.949 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 21.686 20.092 5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.076 19.872 6.423 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -1.929 -17.357 -16.351 1.00 0.00 N ATOM 929 CA VAL B 1 -2.317 -17.988 -15.041 1.00 0.00 C ATOM 930 C VAL B 1 -2.209 -16.950 -13.905 1.00 0.00 C ATOM 931 O VAL B 1 -3.187 -16.667 -13.235 1.00 0.00 O ATOM 932 CB VAL B 1 -1.334 -19.166 -14.829 1.00 0.00 C ATOM 933 CG1 VAL B 1 -1.494 -19.741 -13.414 1.00 0.00 C ATOM 934 CG2 VAL B 1 -1.624 -20.274 -15.851 1.00 0.00 C ATOM 0 H1 VAL B 1 -2.328 -17.912 -17.135 1.00 0.00 H new ATOM 0 H2 VAL B 1 -2.298 -16.386 -16.391 1.00 0.00 H new ATOM 0 H3 VAL B 1 -0.892 -17.337 -16.433 1.00 0.00 H new ATOM 0 HA VAL B 1 -3.348 -18.343 -15.044 1.00 0.00 H new ATOM 0 HB VAL B 1 -0.316 -18.798 -14.959 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -0.798 -20.568 -13.277 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -1.283 -18.964 -12.679 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -2.515 -20.099 -13.280 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -0.930 -21.101 -15.698 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -2.646 -20.630 -15.722 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -1.502 -19.880 -16.860 1.00 0.00 H new ATOM 946 N ASP B 2 -1.032 -16.387 -13.687 1.00 0.00 N ATOM 947 CA ASP B 2 -0.859 -15.368 -12.596 1.00 0.00 C ATOM 948 C ASP B 2 -1.444 -14.015 -13.029 1.00 0.00 C ATOM 949 O ASP B 2 -1.143 -13.512 -14.099 1.00 0.00 O ATOM 950 CB ASP B 2 0.657 -15.249 -12.365 1.00 0.00 C ATOM 951 CG ASP B 2 1.169 -16.484 -11.614 1.00 0.00 C ATOM 952 OD1 ASP B 2 1.174 -16.451 -10.394 1.00 0.00 O ATOM 953 OD2 ASP B 2 1.554 -17.438 -12.272 1.00 0.00 O ATOM 0 H ASP B 2 -0.187 -16.592 -14.220 1.00 0.00 H new ATOM 0 HA ASP B 2 -1.379 -15.665 -11.685 1.00 0.00 H new ATOM 0 HB2 ASP B 2 1.173 -15.154 -13.320 1.00 0.00 H new ATOM 0 HB3 ASP B 2 0.877 -14.348 -11.793 1.00 0.00 H new ATOM 958 N ASN B 3 -2.278 -13.433 -12.194 1.00 0.00 N ATOM 959 CA ASN B 3 -2.905 -12.107 -12.518 1.00 0.00 C ATOM 960 C ASN B 3 -2.590 -11.085 -11.403 1.00 0.00 C ATOM 961 O ASN B 3 -3.475 -10.453 -10.847 1.00 0.00 O ATOM 962 CB ASN B 3 -4.422 -12.387 -12.660 1.00 0.00 C ATOM 963 CG ASN B 3 -5.035 -12.873 -11.330 1.00 0.00 C ATOM 964 OD1 ASN B 3 -4.728 -13.952 -10.862 1.00 0.00 O ATOM 965 ND2 ASN B 3 -5.897 -12.119 -10.702 1.00 0.00 N ATOM 0 H ASN B 3 -2.553 -13.824 -11.293 1.00 0.00 H new ATOM 0 HA ASN B 3 -2.516 -11.670 -13.438 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -4.931 -11.480 -12.987 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -4.583 -13.139 -13.432 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -6.308 -12.437 -9.824 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -6.159 -11.212 -11.089 1.00 0.00 H new ATOM 972 N LYS B 4 -1.318 -10.924 -11.078 1.00 0.00 N ATOM 973 CA LYS B 4 -0.920 -9.953 -9.998 1.00 0.00 C ATOM 974 C LYS B 4 -1.155 -8.508 -10.465 1.00 0.00 C ATOM 975 O LYS B 4 -0.648 -8.083 -11.492 1.00 0.00 O ATOM 976 CB LYS B 4 0.575 -10.193 -9.730 1.00 0.00 C ATOM 977 CG LYS B 4 0.780 -11.572 -9.089 1.00 0.00 C ATOM 978 CD LYS B 4 2.254 -11.747 -8.709 1.00 0.00 C ATOM 979 CE LYS B 4 2.492 -13.180 -8.207 1.00 0.00 C ATOM 980 NZ LYS B 4 2.981 -13.948 -9.394 1.00 0.00 N ATOM 0 H LYS B 4 -0.543 -11.423 -11.514 1.00 0.00 H new ATOM 0 HA LYS B 4 -1.512 -10.102 -9.095 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.135 -10.130 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.964 -9.416 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.152 -11.670 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.477 -12.356 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.889 -11.543 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.528 -11.030 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.226 -13.196 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS B 4 1.574 -13.614 -7.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.969 -14.965 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.363 -13.759 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.952 -13.654 -9.621 1.00 0.00 H new ATOM 994 N PHE B 5 -1.921 -7.759 -9.703 1.00 0.00 N ATOM 995 CA PHE B 5 -2.219 -6.332 -10.058 1.00 0.00 C ATOM 996 C PHE B 5 -1.324 -5.400 -9.215 1.00 0.00 C ATOM 997 O PHE B 5 -1.803 -4.507 -8.539 1.00 0.00 O ATOM 998 CB PHE B 5 -3.711 -6.162 -9.703 1.00 0.00 C ATOM 999 CG PHE B 5 -4.598 -6.369 -10.911 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.356 -7.424 -11.806 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.680 -5.509 -11.128 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.192 -7.611 -12.909 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -6.515 -5.696 -12.232 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.272 -6.746 -13.125 1.00 0.00 C ATOM 0 H PHE B 5 -2.358 -8.081 -8.839 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.025 -6.088 -11.102 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -3.984 -6.874 -8.924 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.877 -5.165 -9.295 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -3.523 -8.091 -11.641 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -5.870 -4.698 -10.440 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -5.005 -8.423 -13.596 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.349 -5.030 -12.397 1.00 0.00 H new ATOM 0 HZ PHE B 5 -6.917 -6.889 -13.980 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.019 -5.621 -9.247 1.00 0.00 N ATOM 1015 CA ASN B 6 0.934 -4.767 -8.439 1.00 0.00 C ATOM 1016 C ASN B 6 0.878 -3.305 -8.909 1.00 0.00 C ATOM 1017 O ASN B 6 0.908 -2.387 -8.104 1.00 0.00 O ATOM 1018 CB ASN B 6 2.349 -5.344 -8.650 1.00 0.00 C ATOM 1019 CG ASN B 6 2.391 -6.862 -8.372 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.533 -7.402 -7.706 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.358 -7.582 -8.874 1.00 0.00 N ATOM 0 H ASN B 6 0.427 -6.355 -9.797 1.00 0.00 H new ATOM 0 HA ASN B 6 0.663 -4.781 -7.383 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.672 -5.152 -9.673 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.053 -4.833 -7.992 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.386 -8.587 -8.704 1.00 0.00 H new ATOM 0 HD22 ASN B 6 4.085 -7.139 -9.436 1.00 0.00 H new ATOM 1028 N LYS B 7 0.757 -3.100 -10.204 1.00 0.00 N ATOM 1029 CA LYS B 7 0.645 -1.708 -10.782 1.00 0.00 C ATOM 1030 C LYS B 7 -0.586 -1.008 -10.212 1.00 0.00 C ATOM 1031 O LYS B 7 -0.580 0.181 -9.950 1.00 0.00 O ATOM 1032 CB LYS B 7 0.450 -1.910 -12.289 1.00 0.00 C ATOM 1033 CG LYS B 7 0.556 -0.568 -13.020 1.00 0.00 C ATOM 1034 CD LYS B 7 0.243 -0.771 -14.505 1.00 0.00 C ATOM 1035 CE LYS B 7 0.379 0.563 -15.252 1.00 0.00 C ATOM 1036 NZ LYS B 7 -0.924 0.767 -15.956 1.00 0.00 N ATOM 0 H LYS B 7 0.730 -3.847 -10.898 1.00 0.00 H new ATOM 0 HA LYS B 7 1.521 -1.102 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.201 -2.601 -12.671 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.524 -2.361 -12.480 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -0.139 0.151 -12.586 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.558 -0.155 -12.901 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.923 -1.508 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -0.767 -1.163 -14.623 1.00 0.00 H new ATOM 0 HE2 LYS B 7 0.582 1.380 -14.560 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.206 0.532 -15.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -0.896 1.662 -16.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -1.089 -0.020 -16.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.694 0.802 -15.258 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.635 -1.760 -10.030 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.893 -1.201 -9.475 1.00 0.00 C ATOM 1052 C GLU B 8 -2.713 -0.820 -8.017 1.00 0.00 C ATOM 1053 O GLU B 8 -3.256 0.156 -7.585 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.941 -2.296 -9.659 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.482 -2.216 -11.088 1.00 0.00 C ATOM 1056 CD GLU B 8 -3.441 -2.724 -12.106 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -3.033 -3.870 -12.003 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -3.067 -1.947 -12.969 1.00 0.00 O ATOM 0 H GLU B 8 -1.671 -2.756 -10.247 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.197 -0.285 -9.982 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.501 -3.276 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.751 -2.170 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.393 -2.809 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.750 -1.186 -11.321 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.907 -1.536 -7.274 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.667 -1.134 -5.847 1.00 0.00 C ATOM 1067 C LEU B 9 -0.847 0.152 -5.821 1.00 0.00 C ATOM 1068 O LEU B 9 -0.937 0.926 -4.890 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.876 -2.229 -5.134 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.406 -3.633 -5.444 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.440 -4.668 -4.832 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.818 -3.768 -4.840 1.00 0.00 C ATOM 0 H LEU B 9 -1.409 -2.371 -7.584 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.624 -0.983 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.172 -2.166 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.915 -2.059 -4.058 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.467 -3.804 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.803 -5.674 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.552 -4.541 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.385 -4.521 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.211 -4.763 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.768 -3.620 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.475 -3.017 -5.279 1.00 0.00 H new ATOM 1084 N SER B 10 -0.066 0.390 -6.851 1.00 0.00 N ATOM 1085 CA SER B 10 0.739 1.633 -6.916 1.00 0.00 C ATOM 1086 C SER B 10 -0.228 2.836 -6.978 1.00 0.00 C ATOM 1087 O SER B 10 -0.130 3.764 -6.198 1.00 0.00 O ATOM 1088 CB SER B 10 1.562 1.474 -8.213 1.00 0.00 C ATOM 1089 OG SER B 10 1.516 2.667 -8.995 1.00 0.00 O ATOM 0 H SER B 10 0.042 -0.234 -7.650 1.00 0.00 H new ATOM 0 HA SER B 10 1.391 1.800 -6.059 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.597 1.237 -7.965 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.174 0.638 -8.795 1.00 0.00 H new ATOM 0 HG SER B 10 1.907 2.495 -9.877 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.175 2.787 -7.900 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.174 3.901 -8.063 1.00 0.00 C ATOM 1097 C VAL B 11 -3.339 3.738 -7.071 1.00 0.00 C ATOM 1098 O VAL B 11 -3.621 4.630 -6.292 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.678 3.791 -9.521 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.460 5.054 -9.892 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.491 3.622 -10.489 1.00 0.00 C ATOM 0 H VAL B 11 -1.297 2.012 -8.552 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.729 4.875 -7.861 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.327 2.919 -9.601 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.814 4.974 -10.920 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.313 5.164 -9.222 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.811 5.925 -9.799 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.863 3.546 -11.511 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.829 4.484 -10.407 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.940 2.716 -10.235 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.004 2.596 -7.097 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.156 2.331 -6.165 1.00 0.00 C ATOM 1113 C ALA B 12 -4.698 2.374 -4.712 1.00 0.00 C ATOM 1114 O ALA B 12 -5.304 3.020 -3.887 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.660 0.915 -6.512 1.00 0.00 C ATOM 0 H ALA B 12 -3.792 1.828 -7.734 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.936 3.084 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.501 0.660 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.980 0.888 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.856 0.195 -6.361 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.622 1.696 -4.417 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.077 1.652 -3.031 1.00 0.00 C ATOM 1123 C GLY B 13 -2.675 3.041 -2.566 1.00 0.00 C ATOM 1124 O GLY B 13 -3.139 3.507 -1.545 1.00 0.00 O ATOM 0 H GLY B 13 -3.085 1.158 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.825 1.239 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.214 0.988 -2.996 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.790 3.684 -3.292 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.310 5.040 -2.867 1.00 0.00 C ATOM 1130 C ARG B 14 -2.454 6.075 -2.781 1.00 0.00 C ATOM 1131 O ARG B 14 -2.454 6.887 -1.880 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.256 5.451 -3.888 1.00 0.00 C ATOM 1133 CG ARG B 14 0.553 6.654 -3.379 1.00 0.00 C ATOM 1134 CD ARG B 14 1.066 6.430 -1.950 1.00 0.00 C ATOM 1135 NE ARG B 14 2.493 6.872 -1.971 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.810 8.111 -1.697 1.00 0.00 C ATOM 1137 NH1 ARG B 14 2.940 8.983 -2.668 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.004 8.474 -0.451 1.00 0.00 N ATOM 0 H ARG B 14 -1.381 3.331 -4.157 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.896 5.000 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.413 4.613 -4.085 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.737 5.703 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.397 6.833 -4.045 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.069 7.549 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.486 7.006 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG B 14 0.983 5.382 -1.662 1.00 0.00 H new ATOM 0 HE ARG B 14 3.227 6.202 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.794 8.695 -3.635 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.187 9.950 -2.456 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.907 7.791 0.300 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.251 9.439 -0.234 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.439 6.048 -3.670 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.581 7.039 -3.551 1.00 0.00 C ATOM 1154 C GLU B 15 -5.349 6.757 -2.244 1.00 0.00 C ATOM 1155 O GLU B 15 -5.640 7.659 -1.485 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.488 6.813 -4.763 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.965 7.601 -5.972 1.00 0.00 C ATOM 1158 CD GLU B 15 -6.021 8.627 -6.404 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.012 9.722 -5.866 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -6.824 8.299 -7.262 1.00 0.00 O ATOM 0 H GLU B 15 -3.502 5.399 -4.455 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.227 8.070 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.529 5.750 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.505 7.126 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.034 8.106 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -4.743 6.922 -6.795 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.593 5.485 -1.967 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.255 5.033 -0.688 1.00 0.00 C ATOM 1169 C ILE B 16 -5.327 5.379 0.506 1.00 0.00 C ATOM 1170 O ILE B 16 -5.775 5.563 1.618 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.414 3.498 -0.873 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.459 3.220 -1.966 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.868 2.830 0.422 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.366 1.771 -2.444 1.00 0.00 C ATOM 0 H ILE B 16 -5.352 4.720 -2.597 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.214 5.510 -0.486 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.445 3.089 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.459 3.417 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.303 3.896 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.970 1.757 0.261 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.130 3.011 1.203 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.829 3.244 0.728 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.114 1.594 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.372 1.585 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.546 1.099 -1.605 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.037 5.477 0.249 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.033 5.827 1.301 1.00 0.00 C ATOM 1188 C VAL B 17 -3.032 7.342 1.599 1.00 0.00 C ATOM 1189 O VAL B 17 -2.903 7.748 2.742 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.678 5.425 0.659 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.525 6.312 1.143 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.364 3.975 0.949 1.00 0.00 C ATOM 0 H VAL B 17 -3.634 5.323 -0.675 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.240 5.327 2.247 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.780 5.567 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.403 5.994 0.668 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.730 7.350 0.881 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.427 6.223 2.225 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.411 3.711 0.491 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.303 3.824 2.027 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.151 3.343 0.538 1.00 0.00 H new ATOM 1202 N THR B 18 -3.073 8.166 0.566 1.00 0.00 N ATOM 1203 CA THR B 18 -2.955 9.651 0.769 1.00 0.00 C ATOM 1204 C THR B 18 -4.284 10.432 0.785 1.00 0.00 C ATOM 1205 O THR B 18 -4.244 11.593 1.164 1.00 0.00 O ATOM 1206 CB THR B 18 -2.000 10.149 -0.345 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.795 11.558 -0.227 1.00 0.00 O ATOM 1208 CG2 THR B 18 -2.549 9.821 -1.741 1.00 0.00 C ATOM 0 H THR B 18 -3.183 7.872 -0.404 1.00 0.00 H new ATOM 0 HA THR B 18 -2.570 9.841 1.771 1.00 0.00 H new ATOM 0 HB THR B 18 -1.048 9.632 -0.222 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.528 11.953 0.289 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.855 10.184 -2.499 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.665 8.742 -1.842 1.00 0.00 H new ATOM 0 HG23 THR B 18 -3.517 10.304 -1.874 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.453 9.880 0.424 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.690 10.749 0.522 1.00 0.00 C ATOM 1218 C LEU B 19 -6.856 11.193 2.009 1.00 0.00 C ATOM 1219 O LEU B 19 -6.895 10.376 2.908 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.912 10.035 -0.136 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.443 8.741 0.519 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -7.360 7.837 1.109 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -9.450 9.132 1.579 1.00 0.00 C ATOM 0 H LEU B 19 -5.591 8.927 0.088 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.600 11.670 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.734 10.750 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.645 9.801 -1.167 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.902 8.141 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -7.823 6.953 1.547 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -6.671 7.533 0.321 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -6.813 8.380 1.880 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -9.841 8.234 2.058 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.966 9.761 2.326 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -10.269 9.683 1.117 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.773 12.510 2.201 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.722 13.131 3.567 1.00 0.00 C ATOM 1237 C PRO B 20 -8.058 13.184 4.318 1.00 0.00 C ATOM 1238 O PRO B 20 -8.053 13.259 5.537 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.229 14.549 3.291 1.00 0.00 C ATOM 1240 CG PRO B 20 -6.626 14.849 1.881 1.00 0.00 C ATOM 1241 CD PRO B 20 -6.751 13.536 1.151 1.00 0.00 C ATOM 0 HA PRO B 20 -6.088 12.532 4.221 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -6.677 15.261 3.984 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.149 14.619 3.417 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -7.571 15.391 1.857 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -5.882 15.484 1.401 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -7.660 13.504 0.551 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -5.914 13.384 0.469 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.183 13.160 3.640 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.499 13.223 4.383 1.00 0.00 C ATOM 1251 C ASN B 21 -10.649 12.024 5.333 1.00 0.00 C ATOM 1252 O ASN B 21 -11.299 12.124 6.360 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.583 13.182 3.318 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.028 14.597 2.936 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.222 15.498 2.814 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.294 14.826 2.728 1.00 0.00 N ATOM 0 H ASN B 21 -9.255 13.101 2.624 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.562 14.124 4.992 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.211 12.663 2.435 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.438 12.614 3.685 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.607 15.760 2.463 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.972 14.071 2.830 1.00 0.00 H new ATOM 1263 N LEU B 22 -10.048 10.902 4.993 1.00 0.00 N ATOM 1264 CA LEU B 22 -10.136 9.694 5.861 1.00 0.00 C ATOM 1265 C LEU B 22 -8.901 9.601 6.774 1.00 0.00 C ATOM 1266 O LEU B 22 -7.906 10.280 6.565 1.00 0.00 O ATOM 1267 CB LEU B 22 -10.303 8.523 4.863 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.209 7.455 4.961 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -9.689 6.214 4.216 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -7.924 7.958 4.307 1.00 0.00 C ATOM 0 H LEU B 22 -9.498 10.779 4.143 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.970 9.701 6.563 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -11.271 8.052 5.031 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -10.315 8.923 3.849 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.009 7.228 6.008 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -8.925 5.438 4.272 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -10.610 5.850 4.671 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.875 6.466 3.172 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -7.153 7.191 4.382 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.113 8.180 3.257 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.587 8.862 4.814 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.975 8.779 7.796 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.814 8.648 8.758 1.00 0.00 C ATOM 1284 C ASN B 23 -7.022 7.340 8.540 1.00 0.00 C ATOM 1285 O ASN B 23 -7.428 6.473 7.783 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.398 8.751 10.189 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.594 7.809 10.395 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.667 6.761 9.803 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.547 8.146 11.222 1.00 0.00 N ATOM 0 H ASN B 23 -9.782 8.193 8.011 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.089 9.444 8.589 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -7.621 8.513 10.915 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -8.709 9.778 10.380 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.344 7.525 11.362 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.494 9.030 11.728 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.862 7.235 9.177 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.954 6.037 9.013 1.00 0.00 C ATOM 1298 C ASP B 24 -5.632 4.648 9.195 1.00 0.00 C ATOM 1299 O ASP B 24 -5.275 3.746 8.455 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.760 6.234 9.980 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.196 6.234 11.452 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.627 7.273 11.926 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.077 5.193 12.081 1.00 0.00 O ATOM 0 H ASP B 24 -5.503 7.945 9.815 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.629 6.004 7.973 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.031 5.440 9.819 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.262 7.176 9.751 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.572 4.467 10.133 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.208 3.122 10.283 1.00 0.00 C ATOM 1310 C PRO B 25 -8.043 2.757 9.035 1.00 0.00 C ATOM 1311 O PRO B 25 -8.068 1.607 8.632 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.078 3.258 11.533 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.352 4.716 11.649 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.134 5.422 11.112 1.00 0.00 C ATOM 0 HA PRO B 25 -6.478 2.319 10.380 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.002 2.688 11.436 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.563 2.881 12.416 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.241 4.990 11.082 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.537 4.995 12.686 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.397 6.369 10.641 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.421 5.647 11.905 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.716 3.723 8.420 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.536 3.421 7.196 1.00 0.00 C ATOM 1324 C GLN B 26 -8.617 3.072 6.012 1.00 0.00 C ATOM 1325 O GLN B 26 -8.784 2.028 5.406 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.344 4.696 6.900 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.191 5.094 8.117 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.427 4.208 8.270 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.429 3.043 7.920 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.488 4.725 8.810 1.00 0.00 N ATOM 0 H GLN B 26 -8.728 4.699 8.716 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.193 2.566 7.354 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.667 5.510 6.640 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.991 4.531 6.038 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.583 5.027 9.019 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.501 6.134 8.018 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.486 5.702 9.104 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.323 4.154 8.941 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.642 3.925 5.686 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.708 3.618 4.534 1.00 0.00 C ATOM 1341 C LYS B 27 -6.046 2.251 4.719 1.00 0.00 C ATOM 1342 O LYS B 27 -5.952 1.489 3.776 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.644 4.732 4.424 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.113 5.235 5.775 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.322 6.535 5.549 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.264 7.749 5.636 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.572 8.744 6.510 1.00 0.00 N ATOM 0 H LYS B 27 -7.460 4.807 6.165 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.284 3.583 3.609 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.807 4.361 3.833 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.071 5.574 3.879 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.940 5.412 6.462 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.474 4.480 6.233 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.532 6.624 6.295 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.837 6.510 4.573 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.457 8.165 4.647 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.229 7.465 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.193 9.564 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.348 8.305 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -3.693 9.057 6.051 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.630 1.921 5.927 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.021 0.567 6.170 1.00 0.00 C ATOM 1363 C LYS B 28 -6.055 -0.524 5.849 1.00 0.00 C ATOM 1364 O LYS B 28 -5.738 -1.534 5.251 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.691 0.492 7.672 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.205 0.763 7.891 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.583 -0.269 8.827 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.085 -0.394 8.513 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.391 0.554 9.439 1.00 0.00 N ATOM 0 H LYS B 28 -5.686 2.525 6.747 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.136 0.422 5.550 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.287 1.221 8.221 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.952 -0.492 8.062 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.686 0.747 6.933 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.073 1.761 8.308 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.726 0.031 9.865 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.075 -1.234 8.703 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -0.738 -1.416 8.668 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.882 -0.142 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.517 0.145 9.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.220 1.455 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.987 0.722 10.275 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.295 -0.308 6.271 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.398 -1.305 6.038 1.00 0.00 C ATOM 1385 C ALA B 29 -8.540 -1.667 4.549 1.00 0.00 C ATOM 1386 O ALA B 29 -8.579 -2.842 4.222 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.681 -0.639 6.552 1.00 0.00 C ATOM 0 H ALA B 29 -7.586 0.531 6.773 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.186 -2.240 6.557 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.524 -1.315 6.411 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.573 -0.411 7.612 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.859 0.283 5.999 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.590 -0.697 3.637 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.703 -1.094 2.185 1.00 0.00 C ATOM 1395 C PHE B 30 -7.323 -1.436 1.606 1.00 0.00 C ATOM 1396 O PHE B 30 -7.247 -2.277 0.751 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.363 -0.006 1.296 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.923 1.185 2.019 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.065 2.210 2.379 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.299 1.308 2.240 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.572 3.361 2.978 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.806 2.459 2.823 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.946 3.487 3.196 1.00 0.00 C ATOM 0 H PHE B 30 -8.559 0.304 3.828 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.351 -1.970 2.171 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.623 0.345 0.577 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.167 -0.470 0.725 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -8.005 2.118 2.196 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.966 0.507 1.957 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.903 4.156 3.274 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.869 2.558 2.988 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.341 4.382 3.654 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.228 -0.815 2.040 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.889 -1.197 1.449 1.00 0.00 C ATOM 1415 C ILE B 31 -4.604 -2.677 1.750 1.00 0.00 C ATOM 1416 O ILE B 31 -4.220 -3.426 0.875 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.809 -0.297 2.070 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.787 1.031 1.274 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.419 -1.002 1.990 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.378 1.383 0.859 1.00 0.00 C ATOM 0 H ILE B 31 -6.206 -0.086 2.753 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.892 -1.061 0.368 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.028 -0.102 3.120 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.420 0.942 0.391 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.203 1.833 1.884 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.659 -0.358 2.432 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.457 -1.945 2.535 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.169 -1.196 0.947 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.386 2.319 0.301 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.755 1.495 1.746 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.975 0.589 0.230 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.798 -3.087 2.985 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.552 -4.515 3.356 1.00 0.00 C ATOM 1434 C PHE B 32 -5.483 -5.430 2.519 1.00 0.00 C ATOM 1435 O PHE B 32 -5.050 -6.465 2.045 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.801 -4.593 4.881 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.536 -4.156 5.636 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.943 -2.867 5.423 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.909 -5.054 6.547 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.789 -2.525 6.100 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.743 -4.674 7.196 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.195 -3.421 6.975 1.00 0.00 C ATOM 0 H PHE B 32 -5.116 -2.492 3.750 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.540 -4.858 3.140 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.639 -3.953 5.155 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.071 -5.610 5.163 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.397 -2.168 4.737 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.340 -6.027 6.732 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.346 -1.552 5.947 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.260 -5.359 7.877 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.291 -3.138 7.493 1.00 0.00 H new ATOM 1452 N SER B 33 -6.727 -5.017 2.266 1.00 0.00 N ATOM 1453 CA SER B 33 -7.641 -5.839 1.383 1.00 0.00 C ATOM 1454 C SER B 33 -7.218 -5.678 -0.105 1.00 0.00 C ATOM 1455 O SER B 33 -7.311 -6.613 -0.874 1.00 0.00 O ATOM 1456 CB SER B 33 -9.072 -5.325 1.631 1.00 0.00 C ATOM 1457 OG SER B 33 -9.265 -4.068 1.003 1.00 0.00 O ATOM 0 H SER B 33 -7.138 -4.157 2.631 1.00 0.00 H new ATOM 0 HA SER B 33 -7.583 -6.903 1.613 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.795 -6.045 1.247 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.251 -5.234 2.702 1.00 0.00 H new ATOM 0 HG SER B 33 -8.416 -3.579 0.983 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.704 -4.507 -0.485 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.195 -4.266 -1.894 1.00 0.00 C ATOM 1465 C LEU B 34 -5.061 -5.261 -2.151 1.00 0.00 C ATOM 1466 O LEU B 34 -4.968 -5.858 -3.210 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.656 -2.811 -1.884 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.159 -2.367 -3.264 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.332 -1.850 -4.111 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.118 -1.240 -3.096 1.00 0.00 C ATOM 0 H LEU B 34 -6.617 -3.701 0.134 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.953 -4.396 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.444 -2.136 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.841 -2.732 -1.164 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.705 -3.221 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.965 -1.538 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.068 -2.644 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.796 -1.001 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.763 -0.923 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.577 -0.394 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.277 -1.606 -2.507 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.230 -5.456 -1.146 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.113 -6.428 -1.236 1.00 0.00 C ATOM 1484 C TRP B 35 -3.654 -7.868 -1.405 1.00 0.00 C ATOM 1485 O TRP B 35 -3.146 -8.631 -2.206 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.378 -6.303 0.091 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.131 -7.080 -0.032 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.900 -8.267 0.549 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.035 -6.770 -0.823 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.353 -8.691 0.190 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.975 -7.797 -0.649 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.370 -5.695 -1.653 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.205 -7.762 -1.276 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.609 -5.656 -2.292 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.521 -6.682 -2.099 1.00 0.00 C ATOM 0 H TRP B 35 -4.291 -4.966 -0.254 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.469 -6.227 -2.092 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.161 -5.259 0.315 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.990 -6.684 0.908 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.586 -8.799 1.192 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.773 -9.565 0.507 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.335 -4.890 -1.800 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.915 -8.563 -1.130 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.858 -4.826 -2.937 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.483 -6.644 -2.589 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.681 -8.236 -0.650 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.265 -9.618 -0.756 1.00 0.00 C ATOM 1508 C ASP B 36 -5.987 -9.794 -2.089 1.00 0.00 C ATOM 1509 O ASP B 36 -5.809 -10.794 -2.765 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.272 -9.759 0.402 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.557 -9.831 1.759 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.627 -10.615 1.888 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.960 -9.105 2.652 1.00 0.00 O ATOM 0 H ASP B 36 -5.136 -7.632 0.035 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.481 -10.374 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.958 -8.912 0.395 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.872 -10.657 0.257 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.812 -8.834 -2.466 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.560 -8.946 -3.741 1.00 0.00 C ATOM 1520 C ASP B 37 -7.630 -7.593 -4.474 1.00 0.00 C ATOM 1521 O ASP B 37 -8.566 -6.831 -4.281 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.966 -9.433 -3.343 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.981 -10.963 -3.264 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.124 -11.589 -4.304 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.851 -11.481 -2.168 1.00 0.00 O ATOM 0 H ASP B 37 -6.990 -7.982 -1.935 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.072 -9.632 -4.433 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.250 -9.007 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.700 -9.090 -4.072 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.648 -7.346 -5.332 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.635 -6.094 -6.143 1.00 0.00 C ATOM 1532 C PRO B 38 -7.734 -6.113 -7.232 1.00 0.00 C ATOM 1533 O PRO B 38 -7.892 -5.146 -7.950 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.260 -6.084 -6.783 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.864 -7.524 -6.833 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.470 -8.180 -5.622 1.00 0.00 C ATOM 0 HA PRO B 38 -6.831 -5.211 -5.535 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.289 -5.645 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.553 -5.497 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -5.224 -7.993 -7.749 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.779 -7.628 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.750 -9.214 -5.824 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.774 -8.196 -4.784 1.00 0.00 H new ATOM 1544 N SER B 39 -8.511 -7.192 -7.353 1.00 0.00 N ATOM 1545 CA SER B 39 -9.623 -7.229 -8.371 1.00 0.00 C ATOM 1546 C SER B 39 -10.586 -6.064 -8.080 1.00 0.00 C ATOM 1547 O SER B 39 -11.101 -5.430 -8.984 1.00 0.00 O ATOM 1548 CB SER B 39 -10.330 -8.571 -8.162 1.00 0.00 C ATOM 1549 OG SER B 39 -10.700 -9.111 -9.426 1.00 0.00 O ATOM 0 H SER B 39 -8.416 -8.037 -6.790 1.00 0.00 H new ATOM 0 HA SER B 39 -9.265 -7.132 -9.396 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.672 -9.263 -7.637 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.214 -8.436 -7.539 1.00 0.00 H new ATOM 0 HG SER B 39 -11.151 -9.971 -9.295 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.779 -5.762 -6.805 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.652 -4.610 -6.392 1.00 0.00 C ATOM 1557 C GLN B 40 -10.808 -3.319 -6.287 1.00 0.00 C ATOM 1558 O GLN B 40 -11.198 -2.410 -5.607 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.198 -4.953 -4.993 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.694 -6.397 -4.922 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.660 -6.555 -3.745 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.740 -7.088 -3.899 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.317 -6.109 -2.566 1.00 0.00 N ATOM 0 H GLN B 40 -10.361 -6.274 -6.028 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.450 -4.451 -7.117 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.417 -4.799 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -13.014 -4.275 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -13.193 -6.666 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.849 -7.076 -4.805 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.410 -5.661 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.956 -6.209 -1.777 1.00 0.00 H new ATOM 1572 N SER B 41 -9.643 -3.250 -6.922 1.00 0.00 N ATOM 1573 CA SER B 41 -8.751 -2.028 -6.829 1.00 0.00 C ATOM 1574 C SER B 41 -9.505 -0.734 -7.174 1.00 0.00 C ATOM 1575 O SER B 41 -9.400 0.242 -6.452 1.00 0.00 O ATOM 1576 CB SER B 41 -7.647 -2.296 -7.838 1.00 0.00 C ATOM 1577 OG SER B 41 -6.860 -1.135 -8.040 1.00 0.00 O ATOM 0 H SER B 41 -9.270 -3.998 -7.507 1.00 0.00 H new ATOM 0 HA SER B 41 -8.375 -1.878 -5.817 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.016 -3.112 -7.486 1.00 0.00 H new ATOM 0 HB3 SER B 41 -8.083 -2.615 -8.785 1.00 0.00 H new ATOM 0 HG SER B 41 -6.637 -1.052 -8.991 1.00 0.00 H new ATOM 1583 N ALA B 42 -10.286 -0.729 -8.243 1.00 0.00 N ATOM 1584 CA ALA B 42 -11.078 0.501 -8.595 1.00 0.00 C ATOM 1585 C ALA B 42 -12.086 0.768 -7.465 1.00 0.00 C ATOM 1586 O ALA B 42 -12.229 1.887 -7.005 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.798 0.179 -9.909 1.00 0.00 C ATOM 0 H ALA B 42 -10.406 -1.518 -8.879 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.456 1.388 -8.711 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -12.393 1.038 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -11.063 -0.049 -10.680 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.451 -0.681 -9.765 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.741 -0.282 -6.991 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.699 -0.154 -5.858 1.00 0.00 C ATOM 1595 C ASN B 43 -12.956 0.224 -4.557 1.00 0.00 C ATOM 1596 O ASN B 43 -13.511 0.889 -3.719 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.358 -1.536 -5.728 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.552 -1.459 -4.772 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.536 -0.806 -5.056 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.502 -2.103 -3.639 1.00 0.00 N ATOM 0 H ASN B 43 -12.641 -1.229 -7.356 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.435 0.630 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.687 -1.885 -6.707 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.632 -2.261 -5.359 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.289 -2.058 -2.992 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.676 -2.651 -3.400 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.708 -0.200 -4.394 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.920 0.131 -3.153 1.00 0.00 C ATOM 1609 C LEU B 44 -10.560 1.607 -3.145 1.00 0.00 C ATOM 1610 O LEU B 44 -10.803 2.309 -2.185 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.678 -0.753 -3.241 1.00 0.00 C ATOM 1612 CG LEU B 44 -9.986 -2.073 -2.551 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.271 -3.226 -3.271 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.519 -1.961 -1.098 1.00 0.00 C ATOM 0 H LEU B 44 -11.203 -0.765 -5.077 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.474 -0.051 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.405 -0.923 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.828 -0.264 -2.765 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.055 -2.282 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.499 -4.166 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.611 -3.276 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.195 -3.056 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.727 -2.895 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.447 -1.763 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.049 -1.145 -0.607 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.035 2.074 -4.243 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.706 3.523 -4.409 1.00 0.00 C ATOM 1628 C LEU B 45 -10.999 4.325 -4.182 1.00 0.00 C ATOM 1629 O LEU B 45 -11.013 5.321 -3.478 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.206 3.638 -5.865 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.871 5.088 -6.267 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.472 5.927 -5.053 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.710 5.059 -7.263 1.00 0.00 C ATOM 0 H LEU B 45 -9.813 1.498 -5.055 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.957 3.902 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.319 3.017 -5.990 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.968 3.246 -6.538 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.756 5.541 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.243 6.943 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -9.295 5.948 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.593 5.488 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.459 6.078 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.842 4.592 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.000 4.486 -8.144 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.096 3.839 -4.730 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.419 4.499 -4.516 1.00 0.00 C ATOM 1647 C ALA B 46 -13.789 4.410 -3.031 1.00 0.00 C ATOM 1648 O ALA B 46 -14.178 5.382 -2.433 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.403 3.672 -5.331 1.00 0.00 C ATOM 0 H ALA B 46 -12.124 3.007 -5.319 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.417 5.549 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.404 4.092 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -14.109 3.687 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.402 2.644 -4.969 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.629 3.234 -2.443 1.00 0.00 N ATOM 1656 CA GLU B 47 -13.921 3.018 -0.987 1.00 0.00 C ATOM 1657 C GLU B 47 -13.091 3.985 -0.132 1.00 0.00 C ATOM 1658 O GLU B 47 -13.552 4.476 0.871 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.482 1.572 -0.706 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.635 0.599 -0.981 1.00 0.00 C ATOM 1661 CD GLU B 47 -14.151 -0.841 -0.758 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -13.438 -1.351 -1.611 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.500 -1.409 0.262 1.00 0.00 O ATOM 0 H GLU B 47 -13.300 2.400 -2.930 1.00 0.00 H new ATOM 0 HA GLU B 47 -14.971 3.189 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -12.626 1.317 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.159 1.479 0.331 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -15.475 0.818 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.992 0.720 -2.004 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.876 4.267 -0.555 1.00 0.00 N ATOM 1671 CA ALA B 48 -10.987 5.218 0.187 1.00 0.00 C ATOM 1672 C ALA B 48 -11.595 6.629 0.140 1.00 0.00 C ATOM 1673 O ALA B 48 -11.778 7.260 1.165 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.639 5.163 -0.556 1.00 0.00 C ATOM 0 H ALA B 48 -11.459 3.870 -1.397 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.868 4.960 1.239 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.930 5.835 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.250 4.145 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.782 5.470 -1.592 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.925 7.102 -1.045 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.548 8.466 -1.205 1.00 0.00 C ATOM 1682 C LYS B 49 -13.967 8.492 -0.594 1.00 0.00 C ATOM 1683 O LYS B 49 -14.320 9.410 0.114 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.607 8.709 -2.724 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.183 8.739 -3.302 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.239 9.014 -4.809 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.874 8.697 -5.443 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.545 9.864 -6.317 1.00 0.00 N ATOM 0 H LYS B 49 -11.788 6.595 -1.920 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.973 9.237 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.188 7.922 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.113 9.652 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.595 9.510 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.685 7.788 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.016 8.405 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.502 10.056 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.111 8.556 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.918 7.775 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.659 9.676 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.314 10.013 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.433 10.716 -5.731 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.770 7.479 -0.857 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.166 7.414 -0.285 1.00 0.00 C ATOM 1704 C LYS B 50 -16.110 7.321 1.247 1.00 0.00 C ATOM 1705 O LYS B 50 -16.880 7.972 1.932 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.813 6.161 -0.892 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.054 6.387 -2.389 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.703 5.141 -2.997 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.779 5.290 -4.522 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.101 3.925 -5.042 1.00 0.00 N ATOM 0 H LYS B 50 -14.517 6.687 -1.448 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.744 8.307 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.167 5.296 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.756 5.945 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.698 7.254 -2.537 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.111 6.600 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.125 4.254 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.703 5.002 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.546 6.010 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.835 5.652 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.168 3.955 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.351 3.261 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -19.009 3.608 -4.646 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.177 6.552 1.789 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.036 6.466 3.282 1.00 0.00 C ATOM 1726 C LEU B 51 -14.589 7.842 3.805 1.00 0.00 C ATOM 1727 O LEU B 51 -15.062 8.302 4.832 1.00 0.00 O ATOM 1728 CB LEU B 51 -13.982 5.366 3.554 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.905 4.994 5.057 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.261 5.184 5.761 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.496 3.517 5.182 1.00 0.00 C ATOM 0 H LEU B 51 -14.514 5.986 1.260 1.00 0.00 H new ATOM 0 HA LEU B 51 -15.967 6.211 3.789 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.227 4.477 2.973 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.004 5.709 3.215 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.175 5.650 5.531 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.166 4.913 6.813 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.569 6.226 5.681 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.009 4.547 5.288 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.438 3.243 6.236 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.237 2.891 4.684 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.523 3.368 4.715 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.728 8.526 3.060 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.298 9.905 3.451 1.00 0.00 C ATOM 1745 C ASN B 52 -14.523 10.830 3.441 1.00 0.00 C ATOM 1746 O ASN B 52 -14.623 11.729 4.247 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.206 10.306 2.406 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.643 11.331 1.301 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.564 12.106 1.437 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.957 11.410 0.207 1.00 0.00 N ATOM 0 H ASN B 52 -13.310 8.177 2.197 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.882 9.972 4.456 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.355 10.725 2.944 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.856 9.399 1.912 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.201 12.105 -0.499 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.173 10.777 0.050 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.437 10.604 2.503 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.654 11.457 2.383 1.00 0.00 C ATOM 1759 C ASP B 53 -17.553 11.306 3.623 1.00 0.00 C ATOM 1760 O ASP B 53 -18.161 12.264 4.072 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.392 10.951 1.135 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.450 11.975 0.704 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.107 12.876 -0.042 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.586 11.835 1.126 1.00 0.00 O ATOM 0 H ASP B 53 -15.377 9.853 1.815 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.392 12.512 2.305 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.682 10.785 0.324 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.866 9.992 1.346 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.640 10.101 4.170 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.496 9.863 5.380 1.00 0.00 C ATOM 1771 C ALA B 54 -17.932 10.607 6.603 1.00 0.00 C ATOM 1772 O ALA B 54 -18.676 11.142 7.406 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.448 8.347 5.593 1.00 0.00 C ATOM 0 H ALA B 54 -17.151 9.276 3.824 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.514 10.229 5.246 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.050 8.082 6.462 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.843 7.843 4.711 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.417 8.035 5.758 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.621 10.649 6.731 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.967 11.363 7.881 1.00 0.00 C ATOM 1781 C GLN B 55 -15.855 12.870 7.587 1.00 0.00 C ATOM 1782 O GLN B 55 -15.936 13.686 8.488 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.580 10.716 7.982 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.724 9.268 8.476 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.430 8.496 8.217 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.937 7.806 9.085 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.849 8.587 7.052 1.00 0.00 N ATOM 0 H GLN B 55 -15.969 10.213 6.079 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.532 11.277 8.809 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.088 10.732 7.010 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.951 11.284 8.667 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.955 9.260 9.541 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.556 8.782 7.966 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.261 9.166 6.320 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.983 8.079 6.873 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.656 13.231 6.333 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.515 14.669 5.944 1.00 0.00 C ATOM 1798 C ALA B 56 -16.075 14.903 4.527 1.00 0.00 C ATOM 1799 O ALA B 56 -15.911 14.061 3.669 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.004 14.895 5.952 1.00 0.00 C ATOM 0 H ALA B 56 -15.585 12.575 5.555 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.056 15.342 6.609 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.789 15.928 5.678 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.611 14.695 6.949 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.532 14.224 5.235 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.706 16.045 4.310 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.264 16.358 2.961 1.00 0.00 C ATOM 1808 C PRO B 57 -16.124 16.612 1.956 1.00 0.00 C ATOM 1809 O PRO B 57 -15.119 17.225 2.289 1.00 0.00 O ATOM 1810 CB PRO B 57 -18.085 17.623 3.193 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.468 18.258 4.394 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.958 17.137 5.264 1.00 0.00 C ATOM 0 HA PRO B 57 -17.860 15.546 2.544 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -18.044 18.286 2.329 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -19.135 17.388 3.365 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.655 18.924 4.105 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -18.199 18.862 4.931 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -16.050 17.423 5.795 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.691 16.850 6.018 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.277 16.147 0.737 1.00 0.00 N ATOM 1821 CA LYS B 58 -15.208 16.358 -0.307 1.00 0.00 C ATOM 1822 C LYS B 58 -15.226 17.812 -0.813 1.00 0.00 C ATOM 1823 O LYS B 58 -14.180 18.437 -0.784 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.526 15.381 -1.453 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.212 13.940 -1.028 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.466 13.000 -2.212 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.352 11.537 -1.756 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.622 10.880 -2.187 1.00 0.00 N ATOM 1829 OXT LYS B 58 -16.284 18.281 -1.213 1.00 0.00 O ATOM 0 H LYS B 58 -17.095 15.629 0.415 1.00 0.00 H new ATOM 0 HA LYS B 58 -14.214 16.176 0.102 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.577 15.465 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.942 15.642 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.175 13.862 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.835 13.654 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.457 13.184 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.746 13.199 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.487 11.052 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.225 11.472 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -16.547 9.853 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.413 11.251 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.791 11.078 -3.194 1.00 0.00 H new TER 1843 LYS B 58