USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=23 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 23 ASN : amide:sc= -2.23 K(o=-5.7,f=-18!) USER MOD Set 1.2: B 26 GLN : amide:sc= -2.36! C(o=-5.7!,f=-9.4!) USER MOD Set 1.3: B 55 GLN : amide:sc= -1.12 K(o=-5.7,f=-6.4) USER MOD Set 2.1: B 21 ASN : amide:sc= -2.47! C(o=-9!,f=-11!) USER MOD Set 2.2: B 52 ASN : amide:sc= -6.51! C(o=-9!,f=-16!) USER MOD Set 3.1: A 28 ASN : amide:sc= -6.46! C(o=-6.7!,f=-6.4!) USER MOD Set 3.2: B 10 SER OG : rot 180:sc= -0.214 USER MOD Set 4.1: A 32 GLN : amide:sc= 0.225 K(o=-3.1,f=-10!) USER MOD Set 4.2: B 6 ASN : amide:sc= -3.32 K(o=-3.1,f=-7.2!) USER MOD Set 5.1: B 3 ASN : amide:sc= 0.602 K(o=1.1,f=-2.4!) USER MOD Set 5.2: B 4 LYS NZ :NH3+ 174:sc= 0.493 (180deg=0.000248) USER MOD Set 6.1: A 23 ASN : amide:sc= -0.704 K(o=-1.6,f=-3.7) USER MOD Set 6.2: A 26 GLN : amide:sc= -0.331 K(o=-1.6,f=-4.1) USER MOD Set 6.3: A 55 GLN :FLIP amide:sc= -0.569 F(o=-3,f=-1.6) USER MOD Set 7.1: A 21 ASN : amide:sc= -0.0463 K(o=-1.8,f=-8.2!) USER MOD Set 7.2: A 52 ASN : amide:sc= -1.79! C(o=-1.8!,f=-11!) USER MOD Set 8.1: A 14 TYR OH : rot -60:sc= 0.299 USER MOD Set 8.2: A 18 HIS :FLIP no HE2:sc= -22.6! C(o=-25!,f=-22!) USER MOD Single : A 1 VAL N :NH3+ -152:sc= -0.0485 (180deg=-0.504) USER MOD Single : A 3 ASN : amide:sc= -0.648 K(o=-0.65,f=-5.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0801) USER MOD Single : A 9 GLN : amide:sc= -1.68 X(o=-1.7,f=-2.1) USER MOD Single : A 10 GLN : amide:sc= -1.3 K(o=-1.3,f=-5!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 8:sc= 0.113 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.557 (180deg=0.383) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0913 K(o=-0.091,f=-1.5) USER MOD Single : A 41 SER OG : rot -97:sc= 0.786 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0.151 (180deg=0.121) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0.334 (180deg=0.333) USER MOD Single : B 1 VAL N :NH3+ -119:sc= 0.0265 (180deg=-0.0928) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -47:sc= 0.548 USER MOD Single : B 27 LYS NZ :NH3+ -162:sc= 0.318 (180deg=0.153) USER MOD Single : B 28 LYS NZ :NH3+ -106:sc= 0.418 (180deg=-0.0973) USER MOD Single : B 33 SER OG : rot -24:sc= -0.161 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.255 F(o=-0.77,f=-0.26) USER MOD Single : B 41 SER OG : rot -89:sc= 0.406 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -173:sc= -0.977 (180deg=-1.03) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 LYS NZ :NH3+ -176:sc= -0.379 (180deg=-0.389) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.764 -17.743 11.742 1.00 0.00 N ATOM 2 CA VAL A 1 -5.874 -16.506 12.589 1.00 0.00 C ATOM 3 C VAL A 1 -4.510 -15.786 12.650 1.00 0.00 C ATOM 4 O VAL A 1 -4.389 -14.653 12.216 1.00 0.00 O ATOM 5 CB VAL A 1 -6.319 -16.990 13.993 1.00 0.00 C ATOM 6 CG1 VAL A 1 -6.246 -15.836 15.004 1.00 0.00 C ATOM 7 CG2 VAL A 1 -7.765 -17.503 13.934 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.688 -17.954 11.314 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.062 -17.588 10.990 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.466 -18.544 12.334 1.00 0.00 H new ATOM 0 HA VAL A 1 -6.589 -15.792 12.181 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.651 -17.792 14.307 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.561 -16.191 15.985 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.222 -15.468 15.063 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.903 -15.028 14.682 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -8.072 -17.842 14.924 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -8.423 -16.699 13.606 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -7.828 -18.333 13.231 1.00 0.00 H new ATOM 19 N ASP A 2 -3.495 -16.437 13.186 1.00 0.00 N ATOM 20 CA ASP A 2 -2.137 -15.801 13.282 1.00 0.00 C ATOM 21 C ASP A 2 -1.308 -16.113 12.027 1.00 0.00 C ATOM 22 O ASP A 2 -1.200 -17.258 11.615 1.00 0.00 O ATOM 23 CB ASP A 2 -1.484 -16.409 14.534 1.00 0.00 C ATOM 24 CG ASP A 2 -2.291 -16.028 15.785 1.00 0.00 C ATOM 25 OD1 ASP A 2 -2.148 -14.905 16.242 1.00 0.00 O ATOM 26 OD2 ASP A 2 -3.037 -16.868 16.263 1.00 0.00 O ATOM 0 H ASP A 2 -3.552 -17.384 13.561 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.201 -14.715 13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.436 -17.494 14.439 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.459 -16.051 14.630 1.00 0.00 H new ATOM 31 N ASN A 3 -0.729 -15.096 11.422 1.00 0.00 N ATOM 32 CA ASN A 3 0.103 -15.299 10.185 1.00 0.00 C ATOM 33 C ASN A 3 1.322 -14.356 10.187 1.00 0.00 C ATOM 34 O ASN A 3 1.258 -13.250 10.703 1.00 0.00 O ATOM 35 CB ASN A 3 -0.834 -14.997 8.996 1.00 0.00 C ATOM 36 CG ASN A 3 -1.419 -13.576 9.099 1.00 0.00 C ATOM 37 OD1 ASN A 3 -0.799 -12.619 8.686 1.00 0.00 O ATOM 38 ND2 ASN A 3 -2.597 -13.400 9.643 1.00 0.00 N ATOM 0 H ASN A 3 -0.798 -14.128 11.735 1.00 0.00 H new ATOM 0 HA ASN A 3 0.500 -16.313 10.128 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.285 -15.101 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -1.644 -15.726 8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.989 -12.461 9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.123 -14.202 9.992 1.00 0.00 H new ATOM 45 N LYS A 4 2.429 -14.792 9.616 1.00 0.00 N ATOM 46 CA LYS A 4 3.657 -13.931 9.581 1.00 0.00 C ATOM 47 C LYS A 4 3.803 -13.241 8.210 1.00 0.00 C ATOM 48 O LYS A 4 3.479 -12.078 8.078 1.00 0.00 O ATOM 49 CB LYS A 4 4.834 -14.890 9.873 1.00 0.00 C ATOM 50 CG LYS A 4 6.170 -14.133 9.805 1.00 0.00 C ATOM 51 CD LYS A 4 7.326 -15.107 10.045 1.00 0.00 C ATOM 52 CE LYS A 4 8.657 -14.342 9.991 1.00 0.00 C ATOM 53 NZ LYS A 4 9.720 -15.390 9.958 1.00 0.00 N ATOM 0 H LYS A 4 2.531 -15.706 9.175 1.00 0.00 H new ATOM 0 HA LYS A 4 3.617 -13.124 10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.711 -15.337 10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.834 -15.707 9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.280 -13.656 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.188 -13.340 10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.212 -15.592 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.315 -15.894 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.707 -13.704 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.772 -13.694 10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.655 -14.935 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.655 -15.978 10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.592 -15.988 9.117 1.00 0.00 H new ATOM 67 N PHE A 5 4.293 -13.944 7.199 1.00 0.00 N ATOM 68 CA PHE A 5 4.489 -13.324 5.842 1.00 0.00 C ATOM 69 C PHE A 5 3.173 -12.823 5.227 1.00 0.00 C ATOM 70 O PHE A 5 3.192 -11.864 4.476 1.00 0.00 O ATOM 71 CB PHE A 5 5.131 -14.410 4.964 1.00 0.00 C ATOM 72 CG PHE A 5 6.550 -14.648 5.434 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.537 -13.684 5.200 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.872 -15.823 6.125 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.843 -13.894 5.653 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.178 -16.032 6.581 1.00 0.00 C ATOM 77 CZ PHE A 5 9.162 -15.067 6.343 1.00 0.00 C ATOM 0 H PHE A 5 4.565 -14.925 7.262 1.00 0.00 H new ATOM 0 HA PHE A 5 5.123 -12.441 5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.554 -15.333 5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.127 -14.100 3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.290 -12.777 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.112 -16.568 6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.605 -13.151 5.470 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.426 -16.937 7.116 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.171 -15.229 6.693 1.00 0.00 H new ATOM 87 N ASN A 6 2.042 -13.444 5.537 1.00 0.00 N ATOM 88 CA ASN A 6 0.734 -12.972 4.957 1.00 0.00 C ATOM 89 C ASN A 6 0.524 -11.477 5.272 1.00 0.00 C ATOM 90 O ASN A 6 0.407 -10.676 4.363 1.00 0.00 O ATOM 91 CB ASN A 6 -0.350 -13.837 5.618 1.00 0.00 C ATOM 92 CG ASN A 6 -1.731 -13.465 5.064 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.509 -12.817 5.736 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.073 -13.846 3.862 1.00 0.00 N ATOM 0 H ASN A 6 1.974 -14.248 6.160 1.00 0.00 H new ATOM 0 HA ASN A 6 0.706 -13.071 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.147 -14.892 5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.332 -13.694 6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.990 -13.599 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.423 -14.390 3.295 1.00 0.00 H new ATOM 101 N LYS A 7 0.518 -11.091 6.541 1.00 0.00 N ATOM 102 CA LYS A 7 0.356 -9.636 6.874 1.00 0.00 C ATOM 103 C LYS A 7 1.674 -8.870 6.706 1.00 0.00 C ATOM 104 O LYS A 7 1.636 -7.694 6.462 1.00 0.00 O ATOM 105 CB LYS A 7 -0.153 -9.529 8.307 1.00 0.00 C ATOM 106 CG LYS A 7 -0.117 -8.064 8.751 1.00 0.00 C ATOM 107 CD LYS A 7 -0.492 -7.985 10.214 1.00 0.00 C ATOM 108 CE LYS A 7 -0.218 -6.569 10.751 1.00 0.00 C ATOM 109 NZ LYS A 7 1.247 -6.525 11.062 1.00 0.00 N ATOM 0 H LYS A 7 0.617 -11.714 7.342 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.359 -9.185 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.170 -9.916 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.463 -10.137 8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.878 -7.647 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.809 -7.472 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.545 -8.234 10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.080 -8.716 10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.483 -5.813 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.813 -6.367 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.381 -6.386 12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.690 -7.420 10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.688 -5.738 10.545 1.00 0.00 H new ATOM 123 N GLU A 8 2.834 -9.499 6.815 1.00 0.00 N ATOM 124 CA GLU A 8 4.115 -8.728 6.606 1.00 0.00 C ATOM 125 C GLU A 8 4.070 -8.106 5.216 1.00 0.00 C ATOM 126 O GLU A 8 4.449 -6.973 5.046 1.00 0.00 O ATOM 127 CB GLU A 8 5.282 -9.708 6.707 1.00 0.00 C ATOM 128 CG GLU A 8 5.603 -9.997 8.178 1.00 0.00 C ATOM 129 CD GLU A 8 6.033 -8.705 8.895 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.031 -8.123 8.492 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.363 -8.328 9.841 1.00 0.00 O ATOM 0 H GLU A 8 2.947 -10.489 7.034 1.00 0.00 H new ATOM 0 HA GLU A 8 4.235 -7.943 7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.033 -10.636 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.159 -9.293 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.728 -10.421 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.398 -10.740 8.245 1.00 0.00 H new ATOM 138 N GLN A 9 3.526 -8.822 4.246 1.00 0.00 N ATOM 139 CA GLN A 9 3.356 -8.243 2.885 1.00 0.00 C ATOM 140 C GLN A 9 2.321 -7.103 2.979 1.00 0.00 C ATOM 141 O GLN A 9 2.485 -6.069 2.391 1.00 0.00 O ATOM 142 CB GLN A 9 2.815 -9.358 1.988 1.00 0.00 C ATOM 143 CG GLN A 9 3.852 -10.451 1.756 1.00 0.00 C ATOM 144 CD GLN A 9 3.195 -11.591 0.975 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.656 -12.511 1.559 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.202 -11.566 -0.334 1.00 0.00 N ATOM 0 H GLN A 9 3.196 -9.782 4.350 1.00 0.00 H new ATOM 0 HA GLN A 9 4.292 -7.854 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.925 -9.792 2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.509 -8.938 1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.702 -10.054 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.235 -10.817 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.653 -10.796 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.756 -12.317 -0.861 1.00 0.00 H new ATOM 155 N GLN A 10 1.276 -7.309 3.766 1.00 0.00 N ATOM 156 CA GLN A 10 0.207 -6.264 3.990 1.00 0.00 C ATOM 157 C GLN A 10 0.808 -5.030 4.678 1.00 0.00 C ATOM 158 O GLN A 10 0.602 -3.911 4.246 1.00 0.00 O ATOM 159 CB GLN A 10 -0.788 -6.947 4.938 1.00 0.00 C ATOM 160 CG GLN A 10 -2.197 -6.937 4.346 1.00 0.00 C ATOM 161 CD GLN A 10 -2.496 -8.271 3.633 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.877 -9.280 3.903 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.441 -8.332 2.743 1.00 0.00 N ATOM 0 H GLN A 10 1.117 -8.179 4.274 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.250 -5.927 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.474 -7.974 5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.790 -6.436 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.928 -6.769 5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.295 -6.112 3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.971 -7.494 2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.653 -9.218 2.284 1.00 0.00 H new ATOM 172 N ASN A 11 1.558 -5.248 5.740 1.00 0.00 N ATOM 173 CA ASN A 11 2.206 -4.130 6.489 1.00 0.00 C ATOM 174 C ASN A 11 3.300 -3.501 5.629 1.00 0.00 C ATOM 175 O ASN A 11 3.399 -2.299 5.547 1.00 0.00 O ATOM 176 CB ASN A 11 2.816 -4.776 7.745 1.00 0.00 C ATOM 177 CG ASN A 11 3.176 -3.685 8.759 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.313 -3.164 9.436 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.422 -3.310 8.889 1.00 0.00 N ATOM 0 H ASN A 11 1.748 -6.175 6.121 1.00 0.00 H new ATOM 0 HA ASN A 11 1.499 -3.342 6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.108 -5.478 8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.706 -5.346 7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.668 -2.581 9.558 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.148 -3.747 8.321 1.00 0.00 H new ATOM 186 N ALA A 12 4.105 -4.318 4.971 1.00 0.00 N ATOM 187 CA ALA A 12 5.182 -3.781 4.083 1.00 0.00 C ATOM 188 C ALA A 12 4.542 -3.033 2.921 1.00 0.00 C ATOM 189 O ALA A 12 4.957 -1.946 2.593 1.00 0.00 O ATOM 190 CB ALA A 12 5.953 -4.993 3.565 1.00 0.00 C ATOM 0 H ALA A 12 4.055 -5.336 5.016 1.00 0.00 H new ATOM 0 HA ALA A 12 5.842 -3.093 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.756 -4.660 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.377 -5.541 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.277 -5.644 3.011 1.00 0.00 H new ATOM 196 N PHE A 13 3.500 -3.598 2.332 1.00 0.00 N ATOM 197 CA PHE A 13 2.773 -2.915 1.216 1.00 0.00 C ATOM 198 C PHE A 13 2.273 -1.573 1.733 1.00 0.00 C ATOM 199 O PHE A 13 2.601 -0.534 1.194 1.00 0.00 O ATOM 200 CB PHE A 13 1.581 -3.841 0.874 1.00 0.00 C ATOM 201 CG PHE A 13 0.600 -3.139 -0.029 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.042 -2.533 -1.202 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.760 -3.138 0.289 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.130 -1.920 -2.052 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.675 -2.535 -0.567 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.231 -1.929 -1.732 1.00 0.00 C ATOM 0 H PHE A 13 3.125 -4.512 2.586 1.00 0.00 H new ATOM 0 HA PHE A 13 3.395 -2.739 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.946 -4.746 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.080 -4.151 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.093 -2.539 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.101 -3.606 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.471 -1.438 -2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.728 -2.539 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.941 -1.461 -2.397 1.00 0.00 H new ATOM 216 N TYR A 14 1.509 -1.612 2.803 1.00 0.00 N ATOM 217 CA TYR A 14 0.973 -0.371 3.418 1.00 0.00 C ATOM 218 C TYR A 14 2.104 0.616 3.738 1.00 0.00 C ATOM 219 O TYR A 14 2.056 1.755 3.335 1.00 0.00 O ATOM 220 CB TYR A 14 0.324 -0.833 4.706 1.00 0.00 C ATOM 221 CG TYR A 14 -0.305 0.351 5.367 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.555 0.792 4.945 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.354 1.002 6.416 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.141 1.861 5.549 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.238 2.101 7.027 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.489 2.540 6.596 1.00 0.00 C ATOM 227 OH TYR A 14 -2.075 3.640 7.203 1.00 0.00 O ATOM 0 H TYR A 14 1.235 -2.472 3.278 1.00 0.00 H new ATOM 0 HA TYR A 14 0.281 0.144 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.427 -1.596 4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.066 -1.285 5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.061 0.285 4.137 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.320 0.652 6.750 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.116 2.192 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.269 2.613 7.832 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.231 4.339 6.534 1.00 0.00 H new ATOM 237 N GLU A 15 3.121 0.172 4.452 1.00 0.00 N ATOM 238 CA GLU A 15 4.262 1.079 4.801 1.00 0.00 C ATOM 239 C GLU A 15 4.920 1.603 3.523 1.00 0.00 C ATOM 240 O GLU A 15 5.183 2.775 3.425 1.00 0.00 O ATOM 241 CB GLU A 15 5.236 0.238 5.624 1.00 0.00 C ATOM 242 CG GLU A 15 4.659 -0.035 7.022 1.00 0.00 C ATOM 243 CD GLU A 15 5.368 0.849 8.055 1.00 0.00 C ATOM 244 OE1 GLU A 15 6.450 0.478 8.484 1.00 0.00 O ATOM 245 OE2 GLU A 15 4.814 1.879 8.401 1.00 0.00 O ATOM 0 H GLU A 15 3.206 -0.781 4.806 1.00 0.00 H new ATOM 0 HA GLU A 15 3.934 1.950 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.433 -0.705 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.190 0.758 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.588 0.167 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.787 -1.086 7.280 1.00 0.00 H new ATOM 252 N ILE A 16 5.135 0.756 2.523 1.00 0.00 N ATOM 253 CA ILE A 16 5.720 1.245 1.219 1.00 0.00 C ATOM 254 C ILE A 16 4.852 2.405 0.686 1.00 0.00 C ATOM 255 O ILE A 16 5.363 3.459 0.343 1.00 0.00 O ATOM 256 CB ILE A 16 5.722 0.004 0.285 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.053 -0.736 0.492 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.574 0.396 -1.191 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.849 -2.237 0.356 1.00 0.00 C ATOM 0 H ILE A 16 4.931 -0.243 2.556 1.00 0.00 H new ATOM 0 HA ILE A 16 6.732 1.641 1.308 1.00 0.00 H new ATOM 0 HB ILE A 16 4.872 -0.630 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.785 -0.394 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.456 -0.505 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.580 -0.502 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.633 0.928 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.403 1.041 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.800 -2.748 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.133 -2.576 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.467 -2.464 -0.640 1.00 0.00 H new ATOM 271 N LEU A 17 3.546 2.217 0.663 1.00 0.00 N ATOM 272 CA LEU A 17 2.610 3.316 0.200 1.00 0.00 C ATOM 273 C LEU A 17 2.607 4.509 1.188 1.00 0.00 C ATOM 274 O LEU A 17 2.495 5.648 0.781 1.00 0.00 O ATOM 275 CB LEU A 17 1.194 2.713 0.169 1.00 0.00 C ATOM 276 CG LEU A 17 1.103 1.550 -0.823 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.389 0.382 -0.192 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.274 1.924 -2.025 1.00 0.00 C ATOM 0 H LEU A 17 3.084 1.352 0.944 1.00 0.00 H new ATOM 0 HA LEU A 17 2.932 3.682 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.923 2.365 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.474 3.484 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 17 2.126 1.303 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.331 -0.438 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.937 0.055 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.618 0.684 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.227 1.079 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.734 2.187 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.729 2.777 -2.529 1.00 0.00 H new ATOM 290 N HIS A 18 2.687 4.242 2.484 1.00 0.00 N ATOM 291 CA HIS A 18 2.638 5.341 3.521 1.00 0.00 C ATOM 292 C HIS A 18 4.030 5.932 3.874 1.00 0.00 C ATOM 293 O HIS A 18 4.098 6.866 4.656 1.00 0.00 O ATOM 294 CB HIS A 18 1.997 4.694 4.767 1.00 0.00 C ATOM 295 CG HIS A 18 0.507 4.516 4.558 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.227 3.535 3.937 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.428 5.447 4.990 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.564 3.864 3.964 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.644 4.997 4.613 1.00 0.00 N flip ATOM 0 H HIS A 18 2.785 3.302 2.868 1.00 0.00 H new ATOM 0 HA HIS A 18 2.070 6.188 3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.462 3.728 4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.177 5.318 5.642 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.160 2.689 3.518 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.221 6.361 5.527 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.380 3.301 3.536 1.00 0.00 H new ATOM 307 N LEU A 19 5.131 5.425 3.322 1.00 0.00 N ATOM 308 CA LEU A 19 6.483 6.011 3.665 1.00 0.00 C ATOM 309 C LEU A 19 6.558 7.455 3.114 1.00 0.00 C ATOM 310 O LEU A 19 6.268 7.675 1.948 1.00 0.00 O ATOM 311 CB LEU A 19 7.550 5.119 2.995 1.00 0.00 C ATOM 312 CG LEU A 19 7.945 3.932 3.904 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.850 2.977 3.116 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.703 4.418 5.154 1.00 0.00 C ATOM 0 H LEU A 19 5.148 4.647 2.663 1.00 0.00 H new ATOM 0 HA LEU A 19 6.646 6.045 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.167 4.741 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.434 5.715 2.768 1.00 0.00 H new ATOM 0 HG LEU A 19 7.035 3.425 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.133 2.137 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.315 2.607 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.747 3.507 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.968 3.562 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.610 4.940 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.068 5.096 5.724 1.00 0.00 H new ATOM 326 N PRO A 20 6.911 8.398 3.976 1.00 0.00 N ATOM 327 CA PRO A 20 6.979 9.843 3.574 1.00 0.00 C ATOM 328 C PRO A 20 8.086 10.150 2.540 1.00 0.00 C ATOM 329 O PRO A 20 8.048 11.196 1.914 1.00 0.00 O ATOM 330 CB PRO A 20 7.269 10.565 4.891 1.00 0.00 C ATOM 331 CG PRO A 20 7.927 9.539 5.749 1.00 0.00 C ATOM 332 CD PRO A 20 7.286 8.226 5.395 1.00 0.00 C ATOM 0 HA PRO A 20 6.058 10.155 3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.918 11.426 4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.352 10.936 5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.001 9.510 5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.789 9.768 6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.976 7.393 5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.415 8.023 6.019 1.00 0.00 H new ATOM 340 N ASN A 21 9.065 9.279 2.358 1.00 0.00 N ATOM 341 CA ASN A 21 10.157 9.569 1.373 1.00 0.00 C ATOM 342 C ASN A 21 10.103 8.618 0.159 1.00 0.00 C ATOM 343 O ASN A 21 10.893 8.762 -0.759 1.00 0.00 O ATOM 344 CB ASN A 21 11.448 9.382 2.172 1.00 0.00 C ATOM 345 CG ASN A 21 11.519 10.415 3.302 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.322 10.086 4.453 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.796 11.653 3.027 1.00 0.00 N ATOM 0 H ASN A 21 9.149 8.388 2.848 1.00 0.00 H new ATOM 0 HA ASN A 21 10.071 10.570 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.486 8.374 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.311 9.490 1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.847 12.343 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.963 11.936 2.061 1.00 0.00 H new ATOM 354 N LEU A 22 9.164 7.679 0.120 1.00 0.00 N ATOM 355 CA LEU A 22 9.066 6.774 -1.068 1.00 0.00 C ATOM 356 C LEU A 22 8.230 7.453 -2.149 1.00 0.00 C ATOM 357 O LEU A 22 7.234 8.099 -1.863 1.00 0.00 O ATOM 358 CB LEU A 22 8.365 5.472 -0.614 1.00 0.00 C ATOM 359 CG LEU A 22 9.329 4.498 0.108 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.848 3.065 -0.121 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.745 4.603 -0.447 1.00 0.00 C ATOM 0 H LEU A 22 8.476 7.511 0.854 1.00 0.00 H new ATOM 0 HA LEU A 22 10.056 6.554 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.540 5.721 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.934 4.974 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 22 9.338 4.757 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.520 2.371 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.841 2.951 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.840 2.850 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.396 3.906 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.739 4.359 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.115 5.619 -0.311 1.00 0.00 H new ATOM 373 N ASN A 23 8.615 7.279 -3.387 1.00 0.00 N ATOM 374 CA ASN A 23 7.835 7.873 -4.523 1.00 0.00 C ATOM 375 C ASN A 23 7.184 6.739 -5.322 1.00 0.00 C ATOM 376 O ASN A 23 7.232 5.592 -4.918 1.00 0.00 O ATOM 377 CB ASN A 23 8.800 8.721 -5.396 1.00 0.00 C ATOM 378 CG ASN A 23 10.225 8.152 -5.438 1.00 0.00 C ATOM 379 OD1 ASN A 23 11.030 8.448 -4.581 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.574 7.361 -6.413 1.00 0.00 N ATOM 0 H ASN A 23 9.441 6.748 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 23 7.041 8.527 -4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.407 8.779 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.832 9.739 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.524 6.991 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.897 7.111 -7.134 1.00 0.00 H new ATOM 387 N GLU A 24 6.555 7.044 -6.430 1.00 0.00 N ATOM 388 CA GLU A 24 5.877 5.968 -7.231 1.00 0.00 C ATOM 389 C GLU A 24 6.898 4.941 -7.764 1.00 0.00 C ATOM 390 O GLU A 24 6.610 3.769 -7.818 1.00 0.00 O ATOM 391 CB GLU A 24 5.138 6.696 -8.377 1.00 0.00 C ATOM 392 CG GLU A 24 6.131 7.305 -9.381 1.00 0.00 C ATOM 393 CD GLU A 24 5.372 8.159 -10.402 1.00 0.00 C ATOM 394 OE1 GLU A 24 4.872 7.595 -11.364 1.00 0.00 O ATOM 395 OE2 GLU A 24 5.305 9.360 -10.204 1.00 0.00 O ATOM 0 H GLU A 24 6.480 7.985 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 24 5.179 5.394 -6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.480 5.996 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.506 7.482 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.866 7.915 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.680 6.513 -9.891 1.00 0.00 H new ATOM 402 N GLU A 25 8.090 5.360 -8.134 1.00 0.00 N ATOM 403 CA GLU A 25 9.106 4.375 -8.641 1.00 0.00 C ATOM 404 C GLU A 25 9.504 3.394 -7.520 1.00 0.00 C ATOM 405 O GLU A 25 9.483 2.192 -7.712 1.00 0.00 O ATOM 406 CB GLU A 25 10.313 5.213 -9.095 1.00 0.00 C ATOM 407 CG GLU A 25 11.342 4.317 -9.804 1.00 0.00 C ATOM 408 CD GLU A 25 10.759 3.773 -11.116 1.00 0.00 C ATOM 409 OE1 GLU A 25 10.625 4.545 -12.052 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.451 2.592 -11.157 1.00 0.00 O ATOM 0 H GLU A 25 8.401 6.331 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 25 8.714 3.773 -9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.983 6.004 -9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.773 5.698 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.249 4.885 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.624 3.490 -9.153 1.00 0.00 H new ATOM 417 N GLN A 26 9.839 3.904 -6.352 1.00 0.00 N ATOM 418 CA GLN A 26 10.229 3.017 -5.199 1.00 0.00 C ATOM 419 C GLN A 26 9.016 2.267 -4.628 1.00 0.00 C ATOM 420 O GLN A 26 9.054 1.062 -4.475 1.00 0.00 O ATOM 421 CB GLN A 26 10.830 3.956 -4.146 1.00 0.00 C ATOM 422 CG GLN A 26 12.287 4.275 -4.519 1.00 0.00 C ATOM 423 CD GLN A 26 12.587 5.759 -4.286 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.123 6.421 -5.151 1.00 0.00 O ATOM 425 NE2 GLN A 26 12.273 6.317 -3.146 1.00 0.00 N ATOM 0 H GLN A 26 9.859 4.903 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 26 10.936 2.249 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.248 4.876 -4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.789 3.490 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.964 3.663 -3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.465 4.021 -5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.822 5.766 -2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.479 7.303 -2.987 1.00 0.00 H new ATOM 434 N ARG A 27 7.955 2.978 -4.303 1.00 0.00 N ATOM 435 CA ARG A 27 6.735 2.330 -3.706 1.00 0.00 C ATOM 436 C ARG A 27 6.086 1.282 -4.641 1.00 0.00 C ATOM 437 O ARG A 27 5.763 0.187 -4.219 1.00 0.00 O ATOM 438 CB ARG A 27 5.725 3.471 -3.523 1.00 0.00 C ATOM 439 CG ARG A 27 4.438 2.964 -2.873 1.00 0.00 C ATOM 440 CD ARG A 27 3.280 3.904 -3.229 1.00 0.00 C ATOM 441 NE ARG A 27 3.680 5.256 -2.718 1.00 0.00 N ATOM 442 CZ ARG A 27 4.055 6.222 -3.537 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.572 6.309 -4.762 1.00 0.00 N ATOM 444 NH2 ARG A 27 4.907 7.122 -3.119 1.00 0.00 N ATOM 0 H ARG A 27 7.882 3.988 -4.427 1.00 0.00 H new ATOM 0 HA ARG A 27 7.013 1.813 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.164 4.255 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.496 3.918 -4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.218 1.953 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.560 2.914 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.112 3.927 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.350 3.571 -2.768 1.00 0.00 H new ATOM 0 HE ARG A 27 3.662 5.434 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.895 5.622 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.876 7.063 -5.378 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.275 7.073 -2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.203 7.872 -3.743 1.00 0.00 H new ATOM 458 N ASN A 28 5.842 1.643 -5.889 1.00 0.00 N ATOM 459 CA ASN A 28 5.149 0.704 -6.847 1.00 0.00 C ATOM 460 C ASN A 28 6.038 -0.500 -7.159 1.00 0.00 C ATOM 461 O ASN A 28 5.559 -1.621 -7.209 1.00 0.00 O ATOM 462 CB ASN A 28 4.853 1.518 -8.116 1.00 0.00 C ATOM 463 CG ASN A 28 4.022 2.785 -7.804 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.539 2.978 -6.699 1.00 0.00 O ATOM 465 ND2 ASN A 28 3.832 3.668 -8.745 1.00 0.00 N ATOM 0 H ASN A 28 6.093 2.549 -6.285 1.00 0.00 H new ATOM 0 HA ASN A 28 4.228 0.309 -6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.791 1.806 -8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.313 0.896 -8.830 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.285 4.508 -8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.230 3.519 -9.672 1.00 0.00 H new ATOM 472 N ALA A 29 7.335 -0.284 -7.329 1.00 0.00 N ATOM 473 CA ALA A 29 8.269 -1.436 -7.585 1.00 0.00 C ATOM 474 C ALA A 29 8.243 -2.382 -6.388 1.00 0.00 C ATOM 475 O ALA A 29 8.298 -3.588 -6.539 1.00 0.00 O ATOM 476 CB ALA A 29 9.646 -0.823 -7.690 1.00 0.00 C ATOM 0 H ALA A 29 7.779 0.634 -7.301 1.00 0.00 H new ATOM 0 HA ALA A 29 7.992 -1.993 -8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.380 -1.607 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.664 -0.106 -8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.889 -0.313 -6.758 1.00 0.00 H new ATOM 482 N PHE A 30 8.143 -1.824 -5.198 1.00 0.00 N ATOM 483 CA PHE A 30 8.081 -2.657 -3.966 1.00 0.00 C ATOM 484 C PHE A 30 6.849 -3.524 -3.991 1.00 0.00 C ATOM 485 O PHE A 30 6.919 -4.681 -3.689 1.00 0.00 O ATOM 486 CB PHE A 30 8.018 -1.670 -2.807 1.00 0.00 C ATOM 487 CG PHE A 30 9.418 -1.229 -2.439 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.510 -2.085 -2.660 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.621 0.017 -1.855 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.781 -1.698 -2.297 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.904 0.399 -1.480 1.00 0.00 C ATOM 492 CZ PHE A 30 11.981 -0.468 -1.704 1.00 0.00 C ATOM 0 H PHE A 30 8.102 -0.818 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 30 8.940 -3.322 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.415 -0.806 -3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.534 -2.134 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.352 -3.051 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.787 0.684 -1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.619 -2.355 -2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.070 1.361 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.977 -0.171 -1.410 1.00 0.00 H new ATOM 502 N ILE A 31 5.740 -2.973 -4.395 1.00 0.00 N ATOM 503 CA ILE A 31 4.489 -3.773 -4.503 1.00 0.00 C ATOM 504 C ILE A 31 4.689 -4.881 -5.562 1.00 0.00 C ATOM 505 O ILE A 31 4.121 -5.945 -5.438 1.00 0.00 O ATOM 506 CB ILE A 31 3.421 -2.743 -4.869 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.245 -1.808 -3.670 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.104 -3.430 -5.174 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.604 -0.504 -4.105 1.00 0.00 C ATOM 0 H ILE A 31 5.646 -1.992 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 31 4.200 -4.301 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 31 3.728 -2.187 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.626 -2.290 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.213 -1.609 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.355 -2.682 -5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.236 -4.115 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.773 -3.987 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.486 0.149 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.238 -0.016 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.627 -0.707 -4.542 1.00 0.00 H new ATOM 521 N GLN A 32 5.540 -4.661 -6.566 1.00 0.00 N ATOM 522 CA GLN A 32 5.812 -5.745 -7.578 1.00 0.00 C ATOM 523 C GLN A 32 6.650 -6.863 -6.912 1.00 0.00 C ATOM 524 O GLN A 32 6.317 -8.030 -7.003 1.00 0.00 O ATOM 525 CB GLN A 32 6.592 -5.078 -8.727 1.00 0.00 C ATOM 526 CG GLN A 32 5.714 -4.023 -9.420 1.00 0.00 C ATOM 527 CD GLN A 32 5.461 -4.429 -10.877 1.00 0.00 C ATOM 528 OE1 GLN A 32 4.395 -4.910 -11.207 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.398 -4.254 -11.770 1.00 0.00 N ATOM 0 H GLN A 32 6.046 -3.789 -6.719 1.00 0.00 H new ATOM 0 HA GLN A 32 4.895 -6.199 -7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.497 -4.611 -8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.906 -5.832 -9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.766 -3.922 -8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.204 -3.050 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.294 -3.851 -11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.234 -4.521 -12.741 1.00 0.00 H new ATOM 538 N SER A 33 7.711 -6.494 -6.206 1.00 0.00 N ATOM 539 CA SER A 33 8.573 -7.503 -5.477 1.00 0.00 C ATOM 540 C SER A 33 7.843 -8.080 -4.240 1.00 0.00 C ATOM 541 O SER A 33 8.097 -9.193 -3.827 1.00 0.00 O ATOM 542 CB SER A 33 9.833 -6.729 -5.057 1.00 0.00 C ATOM 543 OG SER A 33 9.466 -5.529 -4.388 1.00 0.00 O ATOM 0 H SER A 33 8.018 -5.527 -6.104 1.00 0.00 H new ATOM 0 HA SER A 33 8.810 -8.358 -6.111 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.448 -7.347 -4.402 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.436 -6.496 -5.935 1.00 0.00 H new ATOM 0 HG SER A 33 8.498 -5.522 -4.236 1.00 0.00 H new ATOM 549 N LEU A 34 6.960 -7.306 -3.649 1.00 0.00 N ATOM 550 CA LEU A 34 6.200 -7.735 -2.427 1.00 0.00 C ATOM 551 C LEU A 34 5.021 -8.667 -2.784 1.00 0.00 C ATOM 552 O LEU A 34 4.824 -9.680 -2.136 1.00 0.00 O ATOM 553 CB LEU A 34 5.725 -6.394 -1.836 1.00 0.00 C ATOM 554 CG LEU A 34 5.021 -6.567 -0.495 1.00 0.00 C ATOM 555 CD1 LEU A 34 6.026 -6.873 0.592 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.315 -5.266 -0.144 1.00 0.00 C ATOM 0 H LEU A 34 6.728 -6.367 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 34 6.798 -8.320 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.581 -5.731 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.047 -5.910 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 34 4.310 -7.390 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.508 -6.994 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.556 -7.794 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.740 -6.053 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.806 -5.375 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.047 -4.461 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.585 -5.028 -0.917 1.00 0.00 H new ATOM 568 N LYS A 35 4.237 -8.328 -3.800 1.00 0.00 N ATOM 569 CA LYS A 35 3.063 -9.194 -4.195 1.00 0.00 C ATOM 570 C LYS A 35 3.546 -10.542 -4.759 1.00 0.00 C ATOM 571 O LYS A 35 2.935 -11.568 -4.511 1.00 0.00 O ATOM 572 CB LYS A 35 2.267 -8.390 -5.252 1.00 0.00 C ATOM 573 CG LYS A 35 1.139 -7.609 -4.592 1.00 0.00 C ATOM 574 CD LYS A 35 -0.147 -7.777 -5.403 1.00 0.00 C ATOM 575 CE LYS A 35 -1.359 -7.651 -4.470 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.864 -9.044 -4.276 1.00 0.00 N ATOM 0 H LYS A 35 4.362 -7.491 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 35 2.435 -9.430 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.935 -7.704 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.858 -9.068 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.986 -7.963 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.404 -6.554 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.197 -7.021 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.154 -8.749 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.076 -7.201 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.127 -7.013 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.542 -9.061 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.335 -9.367 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.066 -9.675 -4.060 1.00 0.00 H new ATOM 590 N ASP A 36 4.643 -10.549 -5.500 1.00 0.00 N ATOM 591 CA ASP A 36 5.177 -11.836 -6.067 1.00 0.00 C ATOM 592 C ASP A 36 6.084 -12.581 -5.059 1.00 0.00 C ATOM 593 O ASP A 36 6.124 -13.800 -5.064 1.00 0.00 O ATOM 594 CB ASP A 36 5.961 -11.437 -7.329 1.00 0.00 C ATOM 595 CG ASP A 36 4.981 -11.030 -8.440 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.393 -11.917 -9.037 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.835 -9.842 -8.675 1.00 0.00 O ATOM 0 H ASP A 36 5.187 -9.719 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 36 4.367 -12.529 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.635 -10.610 -7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.579 -12.270 -7.663 1.00 0.00 H new ATOM 602 N ASP A 37 6.807 -11.871 -4.199 1.00 0.00 N ATOM 603 CA ASP A 37 7.703 -12.562 -3.202 1.00 0.00 C ATOM 604 C ASP A 37 7.261 -12.259 -1.751 1.00 0.00 C ATOM 605 O ASP A 37 7.574 -11.205 -1.217 1.00 0.00 O ATOM 606 CB ASP A 37 9.118 -12.022 -3.469 1.00 0.00 C ATOM 607 CG ASP A 37 10.158 -13.021 -2.940 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.287 -13.137 -1.730 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.806 -13.654 -3.755 1.00 0.00 O ATOM 0 H ASP A 37 6.812 -10.852 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 37 7.660 -13.645 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.262 -11.863 -4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.247 -11.055 -2.983 1.00 0.00 H new ATOM 614 N PRO A 38 6.543 -13.204 -1.156 1.00 0.00 N ATOM 615 CA PRO A 38 6.057 -13.047 0.249 1.00 0.00 C ATOM 616 C PRO A 38 7.205 -13.094 1.282 1.00 0.00 C ATOM 617 O PRO A 38 7.162 -12.395 2.275 1.00 0.00 O ATOM 618 CB PRO A 38 5.121 -14.243 0.432 1.00 0.00 C ATOM 619 CG PRO A 38 5.606 -15.260 -0.542 1.00 0.00 C ATOM 620 CD PRO A 38 6.109 -14.493 -1.728 1.00 0.00 C ATOM 0 HA PRO A 38 5.577 -12.082 0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.160 -14.623 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.085 -13.968 0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.398 -15.869 -0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.803 -15.939 -0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.933 -15.011 -2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.328 -14.356 -2.476 1.00 0.00 H new ATOM 628 N SER A 39 8.210 -13.929 1.068 1.00 0.00 N ATOM 629 CA SER A 39 9.351 -14.045 2.053 1.00 0.00 C ATOM 630 C SER A 39 10.158 -12.742 2.161 1.00 0.00 C ATOM 631 O SER A 39 10.575 -12.370 3.245 1.00 0.00 O ATOM 632 CB SER A 39 10.241 -15.182 1.537 1.00 0.00 C ATOM 633 OG SER A 39 9.484 -16.386 1.471 1.00 0.00 O ATOM 0 H SER A 39 8.288 -14.536 0.252 1.00 0.00 H new ATOM 0 HA SER A 39 8.968 -14.245 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.633 -14.932 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.098 -15.315 2.197 1.00 0.00 H new ATOM 0 HG SER A 39 10.053 -17.112 1.140 1.00 0.00 H new ATOM 639 N GLN A 40 10.374 -12.040 1.063 1.00 0.00 N ATOM 640 CA GLN A 40 11.148 -10.757 1.128 1.00 0.00 C ATOM 641 C GLN A 40 10.239 -9.571 1.502 1.00 0.00 C ATOM 642 O GLN A 40 10.693 -8.456 1.500 1.00 0.00 O ATOM 643 CB GLN A 40 11.732 -10.549 -0.283 1.00 0.00 C ATOM 644 CG GLN A 40 13.014 -9.709 -0.203 1.00 0.00 C ATOM 645 CD GLN A 40 14.189 -10.586 0.242 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.365 -10.836 1.418 1.00 0.00 O ATOM 647 NE2 GLN A 40 15.008 -11.071 -0.653 1.00 0.00 N ATOM 0 H GLN A 40 10.048 -12.302 0.133 1.00 0.00 H new ATOM 0 HA GLN A 40 11.924 -10.810 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.948 -11.514 -0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.000 -10.050 -0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.229 -9.265 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.877 -8.887 0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.864 -10.864 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.791 -11.657 -0.363 1.00 0.00 H new ATOM 656 N SER A 41 8.964 -9.790 1.800 1.00 0.00 N ATOM 657 CA SER A 41 8.049 -8.641 2.129 1.00 0.00 C ATOM 658 C SER A 41 8.564 -7.793 3.301 1.00 0.00 C ATOM 659 O SER A 41 8.584 -6.580 3.195 1.00 0.00 O ATOM 660 CB SER A 41 6.688 -9.267 2.462 1.00 0.00 C ATOM 661 OG SER A 41 6.766 -10.007 3.678 1.00 0.00 O ATOM 0 H SER A 41 8.526 -10.711 1.828 1.00 0.00 H new ATOM 0 HA SER A 41 7.986 -7.955 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.933 -8.486 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.373 -9.922 1.650 1.00 0.00 H new ATOM 0 HG SER A 41 6.896 -10.957 3.475 1.00 0.00 H new ATOM 667 N ALA A 42 9.007 -8.393 4.392 1.00 0.00 N ATOM 668 CA ALA A 42 9.553 -7.551 5.514 1.00 0.00 C ATOM 669 C ALA A 42 10.802 -6.826 5.017 1.00 0.00 C ATOM 670 O ALA A 42 10.946 -5.638 5.216 1.00 0.00 O ATOM 671 CB ALA A 42 9.956 -8.497 6.611 1.00 0.00 C ATOM 0 H ALA A 42 9.014 -9.401 4.550 1.00 0.00 H new ATOM 0 HA ALA A 42 8.818 -6.825 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.360 -7.930 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.085 -9.063 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.716 -9.184 6.238 1.00 0.00 H new ATOM 677 N ASN A 43 11.679 -7.548 4.328 1.00 0.00 N ATOM 678 CA ASN A 43 12.908 -6.921 3.742 1.00 0.00 C ATOM 679 C ASN A 43 12.489 -5.800 2.807 1.00 0.00 C ATOM 680 O ASN A 43 13.145 -4.802 2.734 1.00 0.00 O ATOM 681 CB ASN A 43 13.589 -7.998 2.907 1.00 0.00 C ATOM 682 CG ASN A 43 14.874 -8.476 3.593 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.927 -8.483 2.990 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.835 -8.883 4.837 1.00 0.00 N ATOM 0 H ASN A 43 11.586 -8.548 4.152 1.00 0.00 H new ATOM 0 HA ASN A 43 13.562 -6.531 4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.911 -8.839 2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.822 -7.606 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.688 -9.204 5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.952 -8.879 5.348 1.00 0.00 H new ATOM 691 N LEU A 44 11.385 -5.983 2.102 1.00 0.00 N ATOM 692 CA LEU A 44 10.876 -4.936 1.167 1.00 0.00 C ATOM 693 C LEU A 44 10.454 -3.726 1.930 1.00 0.00 C ATOM 694 O LEU A 44 10.775 -2.622 1.544 1.00 0.00 O ATOM 695 CB LEU A 44 9.707 -5.549 0.435 1.00 0.00 C ATOM 696 CG LEU A 44 10.274 -6.452 -0.630 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.132 -7.208 -1.277 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.033 -5.586 -1.636 1.00 0.00 C ATOM 0 H LEU A 44 10.815 -6.828 2.142 1.00 0.00 H new ATOM 0 HA LEU A 44 11.647 -4.618 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.076 -6.113 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.082 -4.774 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 44 10.969 -7.182 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.524 -7.867 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.615 -7.801 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.433 -6.500 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.453 -6.219 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.350 -4.863 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.838 -5.057 -1.126 1.00 0.00 H new ATOM 710 N LEU A 45 9.791 -3.911 3.043 1.00 0.00 N ATOM 711 CA LEU A 45 9.454 -2.716 3.845 1.00 0.00 C ATOM 712 C LEU A 45 10.758 -2.171 4.427 1.00 0.00 C ATOM 713 O LEU A 45 10.983 -0.998 4.396 1.00 0.00 O ATOM 714 CB LEU A 45 8.504 -3.156 4.931 1.00 0.00 C ATOM 715 CG LEU A 45 8.344 -2.029 5.948 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.060 -0.691 5.225 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.199 -2.389 6.882 1.00 0.00 C ATOM 0 H LEU A 45 9.481 -4.809 3.415 1.00 0.00 H new ATOM 0 HA LEU A 45 8.978 -1.932 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.536 -3.414 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.884 -4.052 5.421 1.00 0.00 H new ATOM 0 HG LEU A 45 9.263 -1.907 6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.948 0.104 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.890 -0.454 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.142 -0.779 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.067 -1.596 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.282 -2.505 6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.427 -3.324 7.393 1.00 0.00 H new ATOM 729 N ALA A 46 11.622 -3.031 4.925 1.00 0.00 N ATOM 730 CA ALA A 46 12.943 -2.557 5.468 1.00 0.00 C ATOM 731 C ALA A 46 13.714 -1.797 4.394 1.00 0.00 C ATOM 732 O ALA A 46 14.246 -0.754 4.671 1.00 0.00 O ATOM 733 CB ALA A 46 13.724 -3.813 5.793 1.00 0.00 C ATOM 0 H ALA A 46 11.470 -4.038 4.979 1.00 0.00 H new ATOM 0 HA ALA A 46 12.798 -1.904 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.700 -3.541 6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.178 -4.400 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.856 -4.404 4.887 1.00 0.00 H new ATOM 739 N GLU A 47 13.758 -2.306 3.171 1.00 0.00 N ATOM 740 CA GLU A 47 14.476 -1.581 2.077 1.00 0.00 C ATOM 741 C GLU A 47 13.660 -0.343 1.705 1.00 0.00 C ATOM 742 O GLU A 47 14.228 0.696 1.452 1.00 0.00 O ATOM 743 CB GLU A 47 14.703 -2.552 0.901 1.00 0.00 C ATOM 744 CG GLU A 47 13.424 -3.101 0.328 1.00 0.00 C ATOM 745 CD GLU A 47 13.775 -4.276 -0.595 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.872 -5.388 -0.096 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.957 -4.048 -1.777 1.00 0.00 O ATOM 0 H GLU A 47 13.327 -3.188 2.894 1.00 0.00 H new ATOM 0 HA GLU A 47 15.461 -1.235 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.254 -2.037 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.327 -3.380 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.761 -3.431 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.894 -2.327 -0.227 1.00 0.00 H new ATOM 754 N ALA A 48 12.333 -0.417 1.735 1.00 0.00 N ATOM 755 CA ALA A 48 11.520 0.795 1.474 1.00 0.00 C ATOM 756 C ALA A 48 11.748 1.820 2.598 1.00 0.00 C ATOM 757 O ALA A 48 11.848 3.005 2.348 1.00 0.00 O ATOM 758 CB ALA A 48 10.092 0.289 1.506 1.00 0.00 C ATOM 0 H ALA A 48 11.800 -1.265 1.929 1.00 0.00 H new ATOM 0 HA ALA A 48 11.769 1.287 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.408 1.118 1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.958 -0.470 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.882 -0.145 2.484 1.00 0.00 H new ATOM 764 N LYS A 49 11.878 1.350 3.833 1.00 0.00 N ATOM 765 CA LYS A 49 12.155 2.254 4.987 1.00 0.00 C ATOM 766 C LYS A 49 13.616 2.706 4.898 1.00 0.00 C ATOM 767 O LYS A 49 13.948 3.844 5.161 1.00 0.00 O ATOM 768 CB LYS A 49 11.872 1.396 6.218 1.00 0.00 C ATOM 769 CG LYS A 49 10.460 1.733 6.691 1.00 0.00 C ATOM 770 CD LYS A 49 9.825 0.507 7.313 1.00 0.00 C ATOM 771 CE LYS A 49 10.253 0.417 8.768 1.00 0.00 C ATOM 772 NZ LYS A 49 9.345 -0.593 9.393 1.00 0.00 N ATOM 0 H LYS A 49 11.800 0.363 4.079 1.00 0.00 H new ATOM 0 HA LYS A 49 11.550 3.160 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.953 0.337 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.599 1.600 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.493 2.545 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.858 2.080 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.739 0.568 7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.130 -0.390 6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.296 0.111 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.164 1.384 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.483 -0.593 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.357 -0.353 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.563 -1.537 9.015 1.00 0.00 H new ATOM 786 N LYS A 50 14.461 1.809 4.438 1.00 0.00 N ATOM 787 CA LYS A 50 15.901 2.110 4.193 1.00 0.00 C ATOM 788 C LYS A 50 15.959 3.213 3.124 1.00 0.00 C ATOM 789 O LYS A 50 16.729 4.142 3.227 1.00 0.00 O ATOM 790 CB LYS A 50 16.460 0.763 3.687 1.00 0.00 C ATOM 791 CG LYS A 50 17.720 0.913 2.826 1.00 0.00 C ATOM 792 CD LYS A 50 17.762 -0.254 1.821 1.00 0.00 C ATOM 793 CE LYS A 50 18.150 -1.554 2.545 1.00 0.00 C ATOM 794 NZ LYS A 50 18.321 -2.576 1.469 1.00 0.00 N ATOM 0 H LYS A 50 14.196 0.849 4.217 1.00 0.00 H new ATOM 0 HA LYS A 50 16.467 2.467 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.687 0.127 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.691 0.253 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.708 1.867 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.611 0.906 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.789 -0.370 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.481 -0.039 1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.071 -1.426 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.377 -1.855 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.586 -3.487 1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.427 -2.684 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.069 -2.269 0.814 1.00 0.00 H new ATOM 808 N LEU A 51 15.091 3.122 2.125 1.00 0.00 N ATOM 809 CA LEU A 51 15.014 4.171 1.059 1.00 0.00 C ATOM 810 C LEU A 51 14.435 5.457 1.651 1.00 0.00 C ATOM 811 O LEU A 51 14.845 6.550 1.308 1.00 0.00 O ATOM 812 CB LEU A 51 14.052 3.597 0.002 1.00 0.00 C ATOM 813 CG LEU A 51 14.811 2.953 -1.169 1.00 0.00 C ATOM 814 CD1 LEU A 51 16.145 2.353 -0.719 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.950 1.845 -1.760 1.00 0.00 C ATOM 0 H LEU A 51 14.430 2.354 2.011 1.00 0.00 H new ATOM 0 HA LEU A 51 15.990 4.409 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.402 2.855 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.409 4.392 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 51 15.018 3.728 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.651 1.908 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.772 3.137 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.963 1.586 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.477 1.379 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.746 1.096 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.010 2.266 -2.116 1.00 0.00 H new ATOM 827 N ASN A 52 13.478 5.308 2.543 1.00 0.00 N ATOM 828 CA ASN A 52 12.828 6.477 3.201 1.00 0.00 C ATOM 829 C ASN A 52 13.855 7.315 3.981 1.00 0.00 C ATOM 830 O ASN A 52 13.819 8.527 3.940 1.00 0.00 O ATOM 831 CB ASN A 52 11.794 5.860 4.156 1.00 0.00 C ATOM 832 CG ASN A 52 10.891 6.945 4.736 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.911 7.317 4.130 1.00 0.00 O ATOM 834 ND2 ASN A 52 11.183 7.469 5.894 1.00 0.00 N ATOM 0 H ASN A 52 13.118 4.402 2.844 1.00 0.00 H new ATOM 0 HA ASN A 52 12.374 7.153 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.192 5.123 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.304 5.333 4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.585 8.194 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.009 7.154 6.403 1.00 0.00 H new ATOM 841 N ASP A 53 14.757 6.671 4.696 1.00 0.00 N ATOM 842 CA ASP A 53 15.789 7.423 5.497 1.00 0.00 C ATOM 843 C ASP A 53 17.054 7.722 4.671 1.00 0.00 C ATOM 844 O ASP A 53 17.626 8.792 4.787 1.00 0.00 O ATOM 845 CB ASP A 53 16.133 6.512 6.686 1.00 0.00 C ATOM 846 CG ASP A 53 14.876 6.213 7.525 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.217 7.155 7.945 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.597 5.047 7.737 1.00 0.00 O ATOM 0 H ASP A 53 14.823 5.655 4.760 1.00 0.00 H new ATOM 0 HA ASP A 53 15.400 8.391 5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.564 5.579 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.888 6.990 7.310 1.00 0.00 H new ATOM 853 N ALA A 54 17.497 6.785 3.850 1.00 0.00 N ATOM 854 CA ALA A 54 18.735 7.004 3.016 1.00 0.00 C ATOM 855 C ALA A 54 18.506 8.124 1.990 1.00 0.00 C ATOM 856 O ALA A 54 19.346 8.991 1.820 1.00 0.00 O ATOM 857 CB ALA A 54 18.997 5.674 2.305 1.00 0.00 C ATOM 0 H ALA A 54 17.052 5.876 3.722 1.00 0.00 H new ATOM 0 HA ALA A 54 19.582 7.306 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.886 5.764 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 54 19.152 4.890 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.140 5.420 1.682 1.00 0.00 H new ATOM 863 N GLN A 55 17.366 8.120 1.324 1.00 0.00 N ATOM 864 CA GLN A 55 17.058 9.194 0.321 1.00 0.00 C ATOM 865 C GLN A 55 16.268 10.357 0.974 1.00 0.00 C ATOM 866 O GLN A 55 15.777 11.233 0.280 1.00 0.00 O ATOM 867 CB GLN A 55 16.230 8.508 -0.772 1.00 0.00 C ATOM 868 CG GLN A 55 17.078 7.423 -1.455 1.00 0.00 C ATOM 869 CD GLN A 55 16.236 6.703 -2.500 1.00 0.00 C ATOM 870 OE1 GLN A 55 15.196 6.029 -2.113 1.00 0.00 O flip ATOM 871 NE2 GLN A 55 16.522 6.759 -3.679 1.00 0.00 N flip ATOM 0 H GLN A 55 16.636 7.416 1.435 1.00 0.00 H new ATOM 0 HA GLN A 55 17.967 9.638 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 55 15.333 8.064 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.899 9.242 -1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.953 7.872 -1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.443 6.712 -0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 55 17.339 7.289 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.945 6.276 -4.367 1.00 0.00 H new ATOM 880 N ALA A 56 16.151 10.379 2.299 1.00 0.00 N ATOM 881 CA ALA A 56 15.403 11.487 2.993 1.00 0.00 C ATOM 882 C ALA A 56 16.215 12.789 2.981 1.00 0.00 C ATOM 883 O ALA A 56 17.429 12.764 2.852 1.00 0.00 O ATOM 884 CB ALA A 56 15.211 11.032 4.443 1.00 0.00 C ATOM 0 H ALA A 56 16.544 9.674 2.922 1.00 0.00 H new ATOM 0 HA ALA A 56 14.456 11.681 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.671 11.800 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.640 10.104 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.185 10.868 4.905 1.00 0.00 H new ATOM 890 N PRO A 57 15.507 13.892 3.133 1.00 0.00 N ATOM 891 CA PRO A 57 16.168 15.222 3.155 1.00 0.00 C ATOM 892 C PRO A 57 16.971 15.435 4.460 1.00 0.00 C ATOM 893 O PRO A 57 17.976 16.125 4.458 1.00 0.00 O ATOM 894 CB PRO A 57 15.002 16.201 3.050 1.00 0.00 C ATOM 895 CG PRO A 57 13.821 15.465 3.592 1.00 0.00 C ATOM 896 CD PRO A 57 14.045 14.008 3.297 1.00 0.00 C ATOM 0 HA PRO A 57 16.896 15.345 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.197 17.108 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.836 16.506 2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.721 15.631 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.900 15.816 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.684 13.377 4.109 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.517 13.699 2.395 1.00 0.00 H new ATOM 904 N LYS A 58 16.538 14.843 5.563 1.00 0.00 N ATOM 905 CA LYS A 58 17.270 15.001 6.862 1.00 0.00 C ATOM 906 C LYS A 58 17.408 13.643 7.577 1.00 0.00 C ATOM 907 O LYS A 58 18.485 13.380 8.087 1.00 0.00 O ATOM 908 CB LYS A 58 16.418 15.972 7.697 1.00 0.00 C ATOM 909 CG LYS A 58 17.132 17.325 7.811 1.00 0.00 C ATOM 910 CD LYS A 58 18.195 17.262 8.916 1.00 0.00 C ATOM 911 CE LYS A 58 19.596 17.141 8.291 1.00 0.00 C ATOM 912 NZ LYS A 58 20.185 15.887 8.854 1.00 0.00 N ATOM 913 OXT LYS A 58 16.441 12.892 7.603 1.00 0.00 O ATOM 0 H LYS A 58 15.705 14.256 5.611 1.00 0.00 H new ATOM 0 HA LYS A 58 18.282 15.378 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.441 16.104 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.245 15.557 8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.598 17.581 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.409 18.110 8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 58 18.140 18.157 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.004 16.410 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.536 17.091 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.210 18.007 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.147 15.757 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.223 15.957 9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.595 15.074 8.583 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -1.223 -15.871 -19.256 1.00 0.00 N ATOM 929 CA VAL B 1 -1.671 -14.483 -18.896 1.00 0.00 C ATOM 930 C VAL B 1 -0.861 -13.939 -17.697 1.00 0.00 C ATOM 931 O VAL B 1 -0.329 -14.697 -16.899 1.00 0.00 O ATOM 932 CB VAL B 1 -3.181 -14.602 -18.561 1.00 0.00 C ATOM 933 CG1 VAL B 1 -3.402 -15.246 -17.182 1.00 0.00 C ATOM 934 CG2 VAL B 1 -3.819 -13.206 -18.571 1.00 0.00 C ATOM 0 H1 VAL B 1 -0.860 -15.877 -20.230 1.00 0.00 H new ATOM 0 H2 VAL B 1 -0.471 -16.173 -18.604 1.00 0.00 H new ATOM 0 H3 VAL B 1 -2.028 -16.526 -19.183 1.00 0.00 H new ATOM 0 HA VAL B 1 -1.507 -13.779 -19.712 1.00 0.00 H new ATOM 0 HB VAL B 1 -3.645 -15.237 -19.316 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -4.471 -15.314 -16.979 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -2.967 -16.245 -17.173 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -2.925 -14.636 -16.415 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -4.880 -13.289 -18.336 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -3.330 -12.577 -17.827 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -3.700 -12.759 -19.558 1.00 0.00 H new ATOM 946 N ASP B 2 -0.775 -12.630 -17.572 1.00 0.00 N ATOM 947 CA ASP B 2 -0.014 -12.015 -16.432 1.00 0.00 C ATOM 948 C ASP B 2 -0.872 -12.019 -15.155 1.00 0.00 C ATOM 949 O ASP B 2 -1.985 -11.522 -15.145 1.00 0.00 O ATOM 950 CB ASP B 2 0.299 -10.573 -16.871 1.00 0.00 C ATOM 951 CG ASP B 2 1.139 -9.871 -15.795 1.00 0.00 C ATOM 952 OD1 ASP B 2 2.346 -10.050 -15.799 1.00 0.00 O ATOM 953 OD2 ASP B 2 0.558 -9.172 -14.982 1.00 0.00 O ATOM 0 H ASP B 2 -1.201 -11.961 -18.213 1.00 0.00 H new ATOM 0 HA ASP B 2 0.896 -12.570 -16.206 1.00 0.00 H new ATOM 0 HB2 ASP B 2 0.838 -10.581 -17.818 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -0.628 -10.024 -17.036 1.00 0.00 H new ATOM 958 N ASN B 3 -0.347 -12.573 -14.081 1.00 0.00 N ATOM 959 CA ASN B 3 -1.107 -12.614 -12.785 1.00 0.00 C ATOM 960 C ASN B 3 -0.457 -11.687 -11.736 1.00 0.00 C ATOM 961 O ASN B 3 -0.427 -11.990 -10.553 1.00 0.00 O ATOM 962 CB ASN B 3 -1.101 -14.096 -12.343 1.00 0.00 C ATOM 963 CG ASN B 3 0.324 -14.560 -11.983 1.00 0.00 C ATOM 964 OD1 ASN B 3 1.164 -14.713 -12.849 1.00 0.00 O ATOM 965 ND2 ASN B 3 0.632 -14.792 -10.735 1.00 0.00 N ATOM 0 H ASN B 3 0.579 -13.000 -14.048 1.00 0.00 H new ATOM 0 HA ASN B 3 -2.129 -12.251 -12.898 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -1.757 -14.225 -11.482 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -1.499 -14.719 -13.144 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.573 -15.100 -10.491 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.069 -14.665 -10.005 1.00 0.00 H new ATOM 972 N LYS B 4 0.041 -10.549 -12.172 1.00 0.00 N ATOM 973 CA LYS B 4 0.674 -9.572 -11.228 1.00 0.00 C ATOM 974 C LYS B 4 -0.272 -8.387 -11.010 1.00 0.00 C ATOM 975 O LYS B 4 -0.505 -7.594 -11.909 1.00 0.00 O ATOM 976 CB LYS B 4 1.980 -9.119 -11.901 1.00 0.00 C ATOM 977 CG LYS B 4 3.103 -10.117 -11.594 1.00 0.00 C ATOM 978 CD LYS B 4 3.135 -11.212 -12.667 1.00 0.00 C ATOM 979 CE LYS B 4 4.253 -12.215 -12.348 1.00 0.00 C ATOM 980 NZ LYS B 4 3.589 -13.350 -11.638 1.00 0.00 N ATOM 0 H LYS B 4 0.035 -10.256 -13.149 1.00 0.00 H new ATOM 0 HA LYS B 4 0.875 -10.012 -10.251 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.836 -9.042 -12.979 1.00 0.00 H new ATOM 0 HB3 LYS B 4 2.257 -8.127 -11.545 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.062 -9.600 -11.561 1.00 0.00 H new ATOM 0 HG3 LYS B 4 2.947 -10.563 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.174 -11.724 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.300 -10.768 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.744 -12.557 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.022 -11.759 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.278 -14.113 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.225 -13.021 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.801 -13.707 -12.215 1.00 0.00 H new ATOM 994 N PHE B 5 -0.821 -8.273 -9.823 1.00 0.00 N ATOM 995 CA PHE B 5 -1.766 -7.160 -9.509 1.00 0.00 C ATOM 996 C PHE B 5 -1.042 -6.114 -8.638 1.00 0.00 C ATOM 997 O PHE B 5 -1.512 -5.734 -7.578 1.00 0.00 O ATOM 998 CB PHE B 5 -2.903 -7.851 -8.738 1.00 0.00 C ATOM 999 CG PHE B 5 -3.617 -8.838 -9.642 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.592 -8.393 -10.541 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -3.289 -10.198 -9.586 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.238 -9.302 -11.381 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -3.935 -11.110 -10.426 1.00 0.00 C ATOM 1004 CZ PHE B 5 -4.910 -10.662 -11.324 1.00 0.00 C ATOM 0 H PHE B 5 -0.650 -8.915 -9.049 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.138 -6.631 -10.386 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.501 -8.368 -7.867 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.609 -7.106 -8.369 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -4.846 -7.344 -10.585 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -2.536 -10.543 -8.893 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -5.990 -8.956 -12.074 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -3.682 -12.159 -10.382 1.00 0.00 H new ATOM 0 HZ PHE B 5 -5.410 -11.365 -11.973 1.00 0.00 H new ATOM 1014 N ASN B 6 0.126 -5.683 -9.075 1.00 0.00 N ATOM 1015 CA ASN B 6 0.947 -4.700 -8.277 1.00 0.00 C ATOM 1016 C ASN B 6 0.811 -3.262 -8.800 1.00 0.00 C ATOM 1017 O ASN B 6 0.897 -2.314 -8.036 1.00 0.00 O ATOM 1018 CB ASN B 6 2.425 -5.159 -8.393 1.00 0.00 C ATOM 1019 CG ASN B 6 2.556 -6.693 -8.545 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.892 -7.447 -7.868 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.386 -7.185 -9.425 1.00 0.00 N ATOM 0 H ASN B 6 0.549 -5.972 -9.957 1.00 0.00 H new ATOM 0 HA ASN B 6 0.597 -4.688 -7.245 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.888 -4.671 -9.251 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.973 -4.836 -7.508 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.471 -8.195 -9.537 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.950 -6.559 -10.000 1.00 0.00 H new ATOM 1028 N LYS B 7 0.597 -3.096 -10.088 1.00 0.00 N ATOM 1029 CA LYS B 7 0.447 -1.719 -10.682 1.00 0.00 C ATOM 1030 C LYS B 7 -0.800 -1.047 -10.130 1.00 0.00 C ATOM 1031 O LYS B 7 -0.823 0.145 -9.881 1.00 0.00 O ATOM 1032 CB LYS B 7 0.309 -1.946 -12.190 1.00 0.00 C ATOM 1033 CG LYS B 7 0.344 -0.602 -12.929 1.00 0.00 C ATOM 1034 CD LYS B 7 0.119 -0.832 -14.427 1.00 0.00 C ATOM 1035 CE LYS B 7 0.252 0.497 -15.184 1.00 0.00 C ATOM 1036 NZ LYS B 7 -1.117 1.103 -15.185 1.00 0.00 N ATOM 0 H LYS B 7 0.519 -3.860 -10.759 1.00 0.00 H new ATOM 0 HA LYS B 7 1.292 -1.073 -10.445 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.116 -2.587 -12.545 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.626 -2.464 -12.404 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -0.425 0.062 -12.533 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.304 -0.111 -12.766 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.845 -1.551 -14.807 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -0.870 -1.259 -14.594 1.00 0.00 H new ATOM 0 HE2 LYS B 7 0.971 1.155 -14.696 1.00 0.00 H new ATOM 0 HE3 LYS B 7 0.609 0.334 -16.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.093 2.013 -15.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -1.781 0.461 -15.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.429 1.256 -14.205 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.829 -1.819 -9.944 1.00 0.00 N ATOM 1051 CA GLU B 8 -3.098 -1.274 -9.399 1.00 0.00 C ATOM 1052 C GLU B 8 -2.952 -0.896 -7.925 1.00 0.00 C ATOM 1053 O GLU B 8 -3.603 0.020 -7.490 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.149 -2.356 -9.635 1.00 0.00 C ATOM 1055 CG GLU B 8 -3.806 -3.644 -8.876 1.00 0.00 C ATOM 1056 CD GLU B 8 -4.372 -4.834 -9.654 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -3.819 -5.153 -10.693 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.355 -5.396 -9.210 1.00 0.00 O ATOM 0 H GLU B 8 -1.845 -2.818 -10.149 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.391 -0.348 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -5.126 -1.993 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.221 -2.569 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.726 -3.743 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.227 -3.614 -7.871 1.00 0.00 H new ATOM 1065 N LEU B 9 -2.068 -1.528 -7.169 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.886 -1.088 -5.743 1.00 0.00 C ATOM 1067 C LEU B 9 -1.088 0.214 -5.725 1.00 0.00 C ATOM 1068 O LEU B 9 -1.176 0.984 -4.789 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.098 -2.141 -4.966 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.635 -3.555 -5.183 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.578 -4.561 -4.682 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.938 -3.709 -4.381 1.00 0.00 C ATOM 0 H LEU B 9 -1.482 -2.307 -7.470 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.866 -0.950 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.052 -2.103 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.131 -1.903 -3.903 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.837 -3.740 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.944 -5.577 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.348 -4.425 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.390 -4.393 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.337 -4.713 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.735 -3.546 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.667 -2.977 -4.727 1.00 0.00 H new ATOM 1084 N SER B 10 -0.325 0.473 -6.766 1.00 0.00 N ATOM 1085 CA SER B 10 0.450 1.738 -6.837 1.00 0.00 C ATOM 1086 C SER B 10 -0.563 2.904 -6.881 1.00 0.00 C ATOM 1087 O SER B 10 -0.481 3.846 -6.110 1.00 0.00 O ATOM 1088 CB SER B 10 1.259 1.604 -8.146 1.00 0.00 C ATOM 1089 OG SER B 10 1.168 2.793 -8.929 1.00 0.00 O ATOM 0 H SER B 10 -0.212 -0.147 -7.568 1.00 0.00 H new ATOM 0 HA SER B 10 1.115 1.925 -5.994 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.303 1.398 -7.912 1.00 0.00 H new ATOM 0 HB3 SER B 10 0.888 0.756 -8.722 1.00 0.00 H new ATOM 0 HG SER B 10 1.690 2.684 -9.751 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.536 2.799 -7.773 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.593 3.859 -7.918 1.00 0.00 C ATOM 1097 C VAL B 11 -3.683 3.683 -6.843 1.00 0.00 C ATOM 1098 O VAL B 11 -3.992 4.607 -6.113 1.00 0.00 O ATOM 1099 CB VAL B 11 -3.181 3.652 -9.334 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -4.100 4.824 -9.692 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -2.048 3.558 -10.373 1.00 0.00 C ATOM 0 H VAL B 11 -1.639 2.011 -8.413 1.00 0.00 H new ATOM 0 HA VAL B 11 -2.188 4.863 -7.790 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.752 2.724 -9.342 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.511 4.672 -10.690 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.914 4.882 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.530 5.753 -9.672 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.475 3.412 -11.365 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.465 4.479 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.400 2.716 -10.130 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.262 2.498 -6.754 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.342 2.227 -5.742 1.00 0.00 C ATOM 1113 C ALA B 12 -4.810 2.337 -4.318 1.00 0.00 C ATOM 1114 O ALA B 12 -5.408 2.968 -3.475 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.822 0.784 -6.006 1.00 0.00 C ATOM 0 H ALA B 12 -4.028 1.702 -7.347 1.00 0.00 H new ATOM 0 HA ALA B 12 -6.148 2.955 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.611 0.528 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.208 0.709 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.987 0.095 -5.884 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.693 1.724 -4.062 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.086 1.732 -2.707 1.00 0.00 C ATOM 1123 C GLY B 13 -2.702 3.131 -2.270 1.00 0.00 C ATOM 1124 O GLY B 13 -3.139 3.583 -1.232 1.00 0.00 O ATOM 0 H GLY B 13 -3.160 1.202 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.790 1.308 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.202 1.094 -2.701 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.857 3.795 -3.026 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.398 5.160 -2.593 1.00 0.00 C ATOM 1130 C ARG B 14 -2.558 6.172 -2.456 1.00 0.00 C ATOM 1131 O ARG B 14 -2.572 6.954 -1.522 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.379 5.638 -3.630 1.00 0.00 C ATOM 1133 CG ARG B 14 0.852 6.200 -2.914 1.00 0.00 C ATOM 1134 CD ARG B 14 0.460 7.291 -1.914 1.00 0.00 C ATOM 1135 NE ARG B 14 1.696 7.532 -1.120 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.091 8.752 -0.863 1.00 0.00 C ATOM 1137 NH1 ARG B 14 1.767 9.314 0.275 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.808 9.406 -1.746 1.00 0.00 N ATOM 0 H ARG B 14 -1.470 3.460 -3.909 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.956 5.093 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -0.090 4.812 -4.279 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.823 6.403 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.372 5.396 -2.394 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.548 6.608 -3.647 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.133 8.197 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.364 6.968 -1.277 1.00 0.00 H new ATOM 0 HE ARG B 14 2.238 6.740 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG B 14 1.209 8.800 0.957 1.00 0.00 H new ATOM 0 HH12 ARG B 14 2.073 10.265 0.479 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.056 8.963 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.117 10.358 -1.548 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.534 6.168 -3.348 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.678 7.141 -3.196 1.00 0.00 C ATOM 1154 C GLU B 15 -5.468 6.798 -1.916 1.00 0.00 C ATOM 1155 O GLU B 15 -5.829 7.676 -1.155 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.544 6.998 -4.448 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.814 7.609 -5.654 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.744 7.660 -6.876 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.804 8.265 -6.779 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.375 7.099 -7.893 1.00 0.00 O ATOM 0 H GLU B 15 -3.588 5.548 -4.156 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.334 8.171 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.759 5.946 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.501 7.497 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.471 8.614 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.928 7.018 -5.888 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.665 5.517 -1.651 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.354 5.066 -0.386 1.00 0.00 C ATOM 1169 C ILE B 16 -5.452 5.387 0.838 1.00 0.00 C ATOM 1170 O ILE B 16 -5.937 5.588 1.937 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.570 3.547 -0.575 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.619 3.339 -1.681 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.079 2.907 0.718 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.618 1.892 -2.172 1.00 0.00 C ATOM 0 H ILE B 16 -5.374 4.757 -2.266 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.303 5.571 -0.203 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.622 3.082 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.608 3.598 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.411 4.010 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.224 1.838 0.562 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.349 3.062 1.513 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -8.027 3.364 1.002 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.369 1.772 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.635 1.644 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.850 1.226 -1.341 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.146 5.461 0.630 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.175 5.797 1.730 1.00 0.00 C ATOM 1188 C VAL B 17 -3.328 7.268 2.158 1.00 0.00 C ATOM 1189 O VAL B 17 -3.171 7.583 3.326 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.761 5.554 1.126 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.665 6.317 1.886 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.435 4.072 1.171 1.00 0.00 C ATOM 0 H VAL B 17 -3.708 5.298 -0.277 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.348 5.189 2.618 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.783 5.918 0.099 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.303 6.116 1.427 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.871 7.387 1.845 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.649 5.991 2.926 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.445 3.904 0.748 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.451 3.727 2.205 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.175 3.519 0.593 1.00 0.00 H new ATOM 1202 N THR B 18 -3.579 8.175 1.227 1.00 0.00 N ATOM 1203 CA THR B 18 -3.672 9.618 1.608 1.00 0.00 C ATOM 1204 C THR B 18 -4.797 10.393 0.875 1.00 0.00 C ATOM 1205 O THR B 18 -4.614 11.554 0.537 1.00 0.00 O ATOM 1206 CB THR B 18 -2.263 10.182 1.286 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.151 11.511 1.776 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.998 10.172 -0.229 1.00 0.00 C ATOM 0 H THR B 18 -3.720 7.974 0.237 1.00 0.00 H new ATOM 0 HA THR B 18 -3.946 9.732 2.657 1.00 0.00 H new ATOM 0 HB THR B 18 -1.524 9.546 1.773 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.946 12.023 1.518 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.004 10.572 -0.427 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.059 9.150 -0.602 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.744 10.787 -0.733 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.976 9.804 0.656 1.00 0.00 N ATOM 1217 CA LEU B 19 -7.084 10.602 -0.010 1.00 0.00 C ATOM 1218 C LEU B 19 -7.445 11.834 0.880 1.00 0.00 C ATOM 1219 O LEU B 19 -7.007 11.920 2.017 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.265 9.645 -0.242 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.616 8.858 1.014 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.111 8.970 1.238 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.225 7.387 0.822 1.00 0.00 C ATOM 0 H LEU B 19 -6.209 8.842 0.901 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.780 11.006 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -9.135 10.215 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -8.018 8.953 -1.047 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.078 9.254 1.875 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.387 8.413 2.134 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.383 10.018 1.364 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.640 8.559 0.378 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.476 6.824 1.721 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.768 6.974 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.153 7.317 0.637 1.00 0.00 H new ATOM 1235 N PRO B 20 -8.152 12.794 0.304 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.456 14.090 1.012 1.00 0.00 C ATOM 1237 C PRO B 20 -9.194 14.000 2.369 1.00 0.00 C ATOM 1238 O PRO B 20 -8.993 14.875 3.194 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.285 14.866 -0.019 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.846 13.817 -0.913 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.764 12.782 -1.037 1.00 0.00 C ATOM 0 HA PRO B 20 -7.521 14.562 1.315 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -10.076 15.443 0.461 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.668 15.572 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.755 13.387 -0.493 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -10.109 14.230 -1.887 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.168 11.802 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -8.044 13.040 -1.814 1.00 0.00 H new ATOM 1249 N ASN B 21 -10.052 13.025 2.621 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.786 13.023 3.952 1.00 0.00 C ATOM 1251 C ASN B 21 -10.748 11.678 4.709 1.00 0.00 C ATOM 1252 O ASN B 21 -11.633 11.415 5.511 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.240 13.346 3.595 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.393 14.767 3.029 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.681 15.677 3.406 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.319 14.995 2.144 1.00 0.00 N ATOM 0 H ASN B 21 -10.274 12.254 1.991 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.307 13.737 4.622 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.603 12.624 2.864 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.863 13.241 4.483 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.446 15.935 1.769 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.918 14.234 1.825 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.765 10.828 4.499 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.752 9.524 5.254 1.00 0.00 C ATOM 1265 C LEU B 22 -8.867 9.604 6.496 1.00 0.00 C ATOM 1266 O LEU B 22 -7.923 10.376 6.566 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.181 8.474 4.316 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.752 7.089 4.654 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -11.035 6.837 3.856 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.711 6.025 4.304 1.00 0.00 C ATOM 0 H LEU B 22 -8.988 10.973 3.854 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.764 9.282 5.580 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.419 8.731 3.284 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.094 8.456 4.398 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.988 7.043 5.717 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.430 5.852 4.104 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.774 7.598 4.106 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.815 6.881 2.789 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.107 5.037 4.540 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.480 6.078 3.240 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.803 6.200 4.882 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.159 8.763 7.453 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.335 8.703 8.714 1.00 0.00 C ATOM 1284 C ASN B 23 -7.359 7.502 8.651 1.00 0.00 C ATOM 1285 O ASN B 23 -7.516 6.613 7.830 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.336 8.602 9.894 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.202 7.326 9.837 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.881 6.375 9.162 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.298 7.268 10.541 1.00 0.00 N ATOM 0 H ASN B 23 -9.939 8.106 7.422 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.713 9.589 8.843 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.785 8.620 10.834 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.986 9.477 9.889 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.875 6.427 10.519 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.579 8.064 11.114 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.333 7.499 9.486 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.303 6.393 9.457 1.00 0.00 C ATOM 1298 C ASP B 24 -5.863 4.945 9.639 1.00 0.00 C ATOM 1299 O ASP B 24 -5.336 4.047 9.000 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.237 6.743 10.527 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.811 6.727 11.948 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.360 7.739 12.357 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.681 5.707 12.608 1.00 0.00 O ATOM 0 H ASP B 24 -6.164 8.218 10.189 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.876 6.355 8.455 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.414 6.032 10.462 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.824 7.729 10.316 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.883 4.718 10.479 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.400 3.324 10.652 1.00 0.00 C ATOM 1310 C PRO B 25 -8.095 2.799 9.375 1.00 0.00 C ATOM 1311 O PRO B 25 -7.916 1.644 9.015 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.387 3.440 11.814 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.815 4.868 11.813 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.638 5.669 11.324 1.00 0.00 C ATOM 0 HA PRO B 25 -6.599 2.611 10.846 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.238 2.773 11.678 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.918 3.169 12.760 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.679 5.013 11.164 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.111 5.185 12.813 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.958 6.542 10.754 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -7.032 6.034 12.153 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.882 3.625 8.689 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.577 3.146 7.444 1.00 0.00 C ATOM 1324 C GLN B 26 -8.561 2.788 6.361 1.00 0.00 C ATOM 1325 O GLN B 26 -8.620 1.704 5.826 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.478 4.301 6.990 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.655 4.436 7.967 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.438 5.731 7.706 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.068 6.543 6.880 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.511 5.967 8.405 1.00 0.00 N ATOM 0 H GLN B 26 -9.065 4.596 8.941 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.158 2.244 7.635 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.909 5.230 6.956 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.847 4.116 5.981 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.319 3.578 7.864 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.284 4.431 8.992 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.827 5.290 9.099 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.036 6.829 8.258 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.623 3.676 6.049 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.585 3.362 4.990 1.00 0.00 C ATOM 1341 C LYS B 27 -5.804 2.095 5.328 1.00 0.00 C ATOM 1342 O LYS B 27 -5.499 1.320 4.446 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.612 4.549 4.863 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.193 5.152 6.215 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.562 6.530 5.979 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.640 7.544 5.553 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.282 8.824 6.235 1.00 0.00 N ATOM 0 H LYS B 27 -7.533 4.597 6.479 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.102 3.195 4.045 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.720 4.221 4.329 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.078 5.326 4.257 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.059 5.243 6.870 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.482 4.494 6.715 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.069 6.873 6.889 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.794 6.459 5.208 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.655 7.668 4.470 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.633 7.207 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.109 9.455 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.986 8.626 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.502 9.283 5.724 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.482 1.874 6.589 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.728 0.627 6.959 1.00 0.00 C ATOM 1363 C LYS B 28 -5.556 -0.603 6.554 1.00 0.00 C ATOM 1364 O LYS B 28 -5.129 -1.386 5.735 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.558 0.645 8.492 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.263 1.353 8.858 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.282 0.381 9.508 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.629 -0.478 8.421 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.283 -0.853 8.955 1.00 0.00 N ATOM 0 H LYS B 28 -5.706 2.495 7.366 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.762 0.585 6.456 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.404 1.153 8.955 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.548 -0.374 8.878 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.815 1.787 7.964 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.473 2.176 9.541 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.520 0.930 10.061 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.802 -0.253 10.226 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.227 -1.364 8.210 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.539 0.075 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.451 -0.304 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.244 -0.648 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.118 -1.868 8.800 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.756 -0.748 7.097 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.636 -1.914 6.716 1.00 0.00 C ATOM 1385 C ALA B 29 -7.924 -1.891 5.202 1.00 0.00 C ATOM 1386 O ALA B 29 -8.062 -2.928 4.576 1.00 0.00 O ATOM 1387 CB ALA B 29 -8.934 -1.726 7.512 1.00 0.00 C ATOM 0 H ALA B 29 -7.160 -0.111 7.784 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.163 -2.871 6.938 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.622 -2.540 7.284 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.710 -1.729 8.579 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.393 -0.776 7.240 1.00 0.00 H new ATOM 1393 N PHE B 30 -7.998 -0.708 4.620 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.255 -0.562 3.149 1.00 0.00 C ATOM 1395 C PHE B 30 -7.101 -1.130 2.332 1.00 0.00 C ATOM 1396 O PHE B 30 -7.302 -1.948 1.458 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.339 0.949 2.902 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.701 1.311 2.416 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.055 0.996 1.111 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.607 1.951 3.264 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.323 1.321 0.645 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.880 2.279 2.800 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.238 1.962 1.489 1.00 0.00 C ATOM 0 H PHE B 30 -7.888 0.176 5.116 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.159 -1.095 2.856 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.117 1.489 3.822 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.591 1.248 2.168 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.348 0.501 0.461 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.322 2.192 4.278 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.603 1.079 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.585 2.775 3.451 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.223 2.212 1.124 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.899 -0.697 2.614 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.716 -1.211 1.869 1.00 0.00 C ATOM 1415 C ILE B 31 -4.547 -2.699 2.168 1.00 0.00 C ATOM 1416 O ILE B 31 -4.236 -3.477 1.293 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.528 -0.408 2.402 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.492 0.949 1.674 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.200 -1.181 2.202 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.066 1.373 1.423 1.00 0.00 C ATOM 0 H ILE B 31 -5.687 -0.005 3.333 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.812 -1.103 0.789 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.645 -0.247 3.474 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.028 0.876 0.728 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.003 1.704 2.272 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.372 -0.588 2.589 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.248 -2.130 2.736 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.045 -1.370 1.140 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.057 2.334 0.908 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.541 1.466 2.374 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.568 0.626 0.806 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.753 -3.087 3.410 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.618 -4.521 3.781 1.00 0.00 C ATOM 1434 C PHE B 32 -5.667 -5.349 2.996 1.00 0.00 C ATOM 1435 O PHE B 32 -5.361 -6.436 2.546 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.778 -4.573 5.316 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.427 -4.254 5.981 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.784 -2.985 5.797 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.789 -5.232 6.797 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.563 -2.744 6.397 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.568 -4.947 7.382 1.00 0.00 C ATOM 1442 CZ PHE B 32 -0.961 -3.723 7.180 1.00 0.00 C ATOM 0 H PHE B 32 -5.009 -2.465 4.177 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.655 -4.959 3.518 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.533 -3.856 5.639 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.123 -5.560 5.624 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.252 -2.222 5.193 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.257 -6.192 6.958 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.074 -1.791 6.257 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.085 -5.688 8.002 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.003 -3.523 7.638 1.00 0.00 H new ATOM 1452 N SER B 33 -6.865 -4.815 2.734 1.00 0.00 N ATOM 1453 CA SER B 33 -7.845 -5.580 1.877 1.00 0.00 C ATOM 1454 C SER B 33 -7.427 -5.433 0.387 1.00 0.00 C ATOM 1455 O SER B 33 -7.576 -6.355 -0.392 1.00 0.00 O ATOM 1456 CB SER B 33 -9.241 -4.996 2.153 1.00 0.00 C ATOM 1457 OG SER B 33 -9.293 -3.632 1.774 1.00 0.00 O ATOM 0 H SER B 33 -7.190 -3.908 3.070 1.00 0.00 H new ATOM 0 HA SER B 33 -7.856 -6.645 2.107 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.993 -5.561 1.603 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.480 -5.094 3.212 1.00 0.00 H new ATOM 0 HG SER B 33 -8.389 -3.254 1.788 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.850 -4.288 0.016 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.342 -4.060 -1.393 1.00 0.00 C ATOM 1465 C LEU B 34 -5.208 -5.055 -1.693 1.00 0.00 C ATOM 1466 O LEU B 34 -5.143 -5.624 -2.768 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.825 -2.598 -1.385 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.106 -2.230 -2.681 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.123 -1.946 -3.795 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.251 -0.976 -2.446 1.00 0.00 C ATOM 0 H LEU B 34 -6.711 -3.496 0.643 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.103 -4.210 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.664 -1.919 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.146 -2.460 -0.544 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.473 -3.064 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.595 -1.685 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.732 -2.834 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.766 -1.117 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.735 -0.709 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.893 -0.151 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.517 -1.177 -1.665 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.332 -5.273 -0.734 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.206 -6.242 -0.909 1.00 0.00 C ATOM 1484 C TRP B 35 -3.734 -7.686 -1.016 1.00 0.00 C ATOM 1485 O TRP B 35 -3.268 -8.458 -1.835 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.359 -6.106 0.351 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.128 -6.921 0.166 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.867 -8.092 0.777 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.008 -6.657 -0.711 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.349 -8.557 0.340 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.926 -7.697 -0.570 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.286 -5.616 -1.600 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.114 -7.698 -1.285 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.480 -5.615 -2.317 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.390 -6.650 -2.158 1.00 0.00 C ATOM 0 H TRP B 35 -4.354 -4.811 0.175 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.644 -6.034 -1.819 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.102 -5.061 0.527 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.916 -6.448 1.223 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.508 -8.585 1.493 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.773 -9.431 0.650 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.418 -4.808 -1.731 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.820 -8.506 -1.165 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.698 -4.806 -2.999 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.316 -6.642 -2.714 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.689 -8.048 -0.176 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.250 -9.438 -0.192 1.00 0.00 C ATOM 1508 C ASP B 36 -6.058 -9.667 -1.468 1.00 0.00 C ATOM 1509 O ASP B 36 -5.925 -10.698 -2.106 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.156 -9.534 1.046 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.330 -11.003 1.442 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.525 -11.481 2.228 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -7.260 -11.624 0.956 1.00 0.00 O ATOM 0 H ASP B 36 -5.102 -7.430 0.523 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.464 -10.193 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.720 -8.973 1.873 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.127 -9.086 0.834 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.893 -8.716 -1.842 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.711 -8.876 -3.073 1.00 0.00 C ATOM 1520 C ASP B 37 -7.656 -7.593 -3.923 1.00 0.00 C ATOM 1521 O ASP B 37 -8.605 -6.821 -3.936 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.161 -9.179 -2.615 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.182 -10.218 -1.481 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.990 -11.387 -1.768 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.389 -9.820 -0.346 1.00 0.00 O ATOM 0 H ASP B 37 -7.035 -7.840 -1.340 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.331 -9.687 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.638 -8.259 -2.277 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.742 -9.548 -3.460 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.553 -7.411 -4.643 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.417 -6.222 -5.533 1.00 0.00 C ATOM 1532 C PRO B 38 -7.403 -6.287 -6.716 1.00 0.00 C ATOM 1533 O PRO B 38 -7.540 -5.323 -7.438 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.981 -6.279 -6.011 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.607 -7.721 -5.897 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.347 -8.255 -4.701 1.00 0.00 C ATOM 0 HA PRO B 38 -6.648 -5.290 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.890 -5.925 -7.038 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.333 -5.651 -5.399 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.882 -8.267 -6.800 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.530 -7.835 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.599 -9.309 -4.822 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.753 -8.171 -3.791 1.00 0.00 H new ATOM 1544 N SER B 39 -8.130 -7.388 -6.898 1.00 0.00 N ATOM 1545 CA SER B 39 -9.154 -7.447 -8.002 1.00 0.00 C ATOM 1546 C SER B 39 -10.158 -6.301 -7.770 1.00 0.00 C ATOM 1547 O SER B 39 -10.635 -5.677 -8.701 1.00 0.00 O ATOM 1548 CB SER B 39 -9.849 -8.805 -7.855 1.00 0.00 C ATOM 1549 OG SER B 39 -10.106 -9.346 -9.144 1.00 0.00 O ATOM 0 H SER B 39 -8.054 -8.234 -6.333 1.00 0.00 H new ATOM 0 HA SER B 39 -8.722 -7.342 -8.997 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.222 -9.487 -7.281 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.782 -8.690 -7.304 1.00 0.00 H new ATOM 0 HG SER B 39 -10.549 -10.215 -9.052 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.423 -6.002 -6.504 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.333 -4.868 -6.135 1.00 0.00 C ATOM 1557 C GLN B 40 -10.511 -3.568 -5.947 1.00 0.00 C ATOM 1558 O GLN B 40 -10.977 -2.657 -5.303 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.969 -5.225 -4.765 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.341 -6.711 -4.633 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.228 -7.172 -5.799 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -13.015 -8.345 -6.332 1.00 0.00 O flip ATOM 1563 NE2 GLN B 40 -14.129 -6.472 -6.219 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.037 -6.508 -5.707 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.080 -4.717 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.272 -4.960 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.864 -4.620 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.433 -7.314 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.863 -6.875 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -14.298 -5.555 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.716 -6.801 -6.985 1.00 0.00 H new ATOM 1572 N SER B 41 -9.283 -3.481 -6.459 1.00 0.00 N ATOM 1573 CA SER B 41 -8.440 -2.246 -6.251 1.00 0.00 C ATOM 1574 C SER B 41 -9.134 -0.977 -6.770 1.00 0.00 C ATOM 1575 O SER B 41 -9.120 0.044 -6.106 1.00 0.00 O ATOM 1576 CB SER B 41 -7.132 -2.479 -6.998 1.00 0.00 C ATOM 1577 OG SER B 41 -7.377 -2.672 -8.389 1.00 0.00 O ATOM 0 H SER B 41 -8.837 -4.215 -7.009 1.00 0.00 H new ATOM 0 HA SER B 41 -8.272 -2.086 -5.186 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.468 -1.626 -6.855 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.623 -3.351 -6.588 1.00 0.00 H new ATOM 0 HG SER B 41 -7.533 -3.623 -8.565 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.772 -1.045 -7.932 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.509 0.154 -8.462 1.00 0.00 C ATOM 1585 C ALA B 42 -11.666 0.470 -7.505 1.00 0.00 C ATOM 1586 O ALA B 42 -11.870 1.610 -7.120 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.033 -0.252 -9.846 1.00 0.00 C ATOM 0 H ALA B 42 -9.810 -1.874 -8.526 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.881 1.042 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.581 0.581 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.194 -0.515 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.697 -1.111 -9.746 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.388 -0.558 -7.081 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.500 -0.376 -6.106 1.00 0.00 C ATOM 1595 C ASN B 43 -12.948 0.083 -4.740 1.00 0.00 C ATOM 1596 O ASN B 43 -13.606 0.813 -4.036 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.169 -1.755 -5.981 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.468 -1.627 -5.177 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.490 -1.244 -5.709 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.466 -1.922 -3.905 1.00 0.00 N ATOM 0 H ASN B 43 -12.241 -1.522 -7.381 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.206 0.386 -6.436 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.381 -2.158 -6.971 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.493 -2.455 -5.490 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.323 -1.831 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.608 -2.244 -3.457 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.744 -0.345 -4.370 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.143 0.064 -3.054 1.00 0.00 C ATOM 1609 C LEU B 44 -10.833 1.552 -3.065 1.00 0.00 C ATOM 1610 O LEU B 44 -11.237 2.280 -2.187 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.861 -0.765 -2.924 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.152 -2.000 -2.081 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.345 -3.191 -2.607 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.769 -1.689 -0.631 1.00 0.00 C ATOM 0 H LEU B 44 -11.157 -0.962 -4.932 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.817 -0.110 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.501 -1.059 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.073 -0.170 -2.461 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.210 -2.258 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.557 -4.071 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.622 -3.389 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.281 -2.962 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.969 -2.560 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.709 -1.442 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.357 -0.844 -0.273 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.143 1.993 -4.076 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.813 3.448 -4.218 1.00 0.00 C ATOM 1628 C LEU B 45 -11.114 4.264 -4.209 1.00 0.00 C ATOM 1629 O LEU B 45 -11.216 5.274 -3.538 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.107 3.590 -5.572 1.00 0.00 C ATOM 1631 CG LEU B 45 -7.913 4.533 -5.440 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.340 4.818 -6.829 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.359 5.840 -4.783 1.00 0.00 C ATOM 0 H LEU B 45 -9.785 1.402 -4.826 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.182 3.808 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.773 2.613 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.804 3.974 -6.317 1.00 0.00 H new ATOM 0 HG LEU B 45 -7.146 4.068 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.487 5.491 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.018 3.883 -7.289 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -8.106 5.283 -7.450 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.505 6.511 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -9.126 6.312 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.764 5.630 -3.793 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.121 3.788 -4.921 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.449 4.478 -4.937 1.00 0.00 C ATOM 1647 C ALA B 46 -14.060 4.416 -3.530 1.00 0.00 C ATOM 1648 O ALA B 46 -14.535 5.407 -3.017 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.295 3.669 -5.916 1.00 0.00 C ATOM 0 H ALA B 46 -12.072 2.945 -5.493 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.383 5.527 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.290 4.109 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.823 3.678 -6.898 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.378 2.641 -5.562 1.00 0.00 H new ATOM 1655 N GLU B 47 -14.007 3.250 -2.903 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.535 3.073 -1.513 1.00 0.00 C ATOM 1657 C GLU B 47 -13.789 4.013 -0.549 1.00 0.00 C ATOM 1658 O GLU B 47 -14.371 4.543 0.376 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.254 1.600 -1.153 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.142 1.170 0.027 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.612 1.043 -0.415 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.865 0.437 -1.448 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.462 1.546 0.300 1.00 0.00 O ATOM 0 H GLU B 47 -13.611 2.404 -3.312 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.597 3.309 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.447 0.963 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.203 1.474 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.793 0.216 0.423 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.061 1.899 0.834 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.504 4.230 -0.792 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.690 5.152 0.073 1.00 0.00 C ATOM 1672 C ALA B 48 -12.202 6.585 -0.112 1.00 0.00 C ATOM 1673 O ALA B 48 -12.480 7.272 0.853 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.236 5.013 -0.421 1.00 0.00 C ATOM 0 H ALA B 48 -11.987 3.802 -1.560 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.761 4.910 1.134 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.588 5.661 0.169 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.912 3.978 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.179 5.302 -1.471 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.363 7.017 -1.353 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.897 8.396 -1.636 1.00 0.00 C ATOM 1682 C LYS B 49 -14.332 8.525 -1.094 1.00 0.00 C ATOM 1683 O LYS B 49 -14.667 9.496 -0.449 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.877 8.541 -3.166 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.427 8.561 -3.672 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.409 8.712 -5.196 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.965 8.577 -5.706 1.00 0.00 C ATOM 1688 NZ LYS B 49 -10.050 7.778 -6.968 1.00 0.00 N ATOM 0 H LYS B 49 -12.145 6.467 -2.184 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.302 9.173 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.420 7.715 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.386 9.459 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.883 9.384 -3.210 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.919 7.641 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.041 7.952 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.818 9.681 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.523 9.556 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.335 8.078 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.091 7.551 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.572 6.897 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -10.547 8.330 -7.696 1.00 0.00 H new ATOM 1702 N LYS B 50 -15.163 7.523 -1.332 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.579 7.542 -0.813 1.00 0.00 C ATOM 1704 C LYS B 50 -16.581 7.581 0.725 1.00 0.00 C ATOM 1705 O LYS B 50 -17.349 8.311 1.324 1.00 0.00 O ATOM 1706 CB LYS B 50 -17.223 6.245 -1.324 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.482 6.355 -2.835 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.619 4.953 -3.448 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.922 4.286 -2.976 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.496 3.103 -2.166 1.00 0.00 N ATOM 0 H LYS B 50 -14.918 6.690 -1.866 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.126 8.421 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.569 5.397 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -18.159 6.061 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.390 6.930 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.664 6.892 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.612 5.023 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.765 4.339 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.521 4.974 -2.380 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.536 3.981 -3.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -19.337 2.603 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.934 2.460 -2.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.920 3.423 -1.361 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.699 6.823 1.361 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.617 6.837 2.859 1.00 0.00 C ATOM 1726 C LEU B 51 -15.125 8.216 3.336 1.00 0.00 C ATOM 1727 O LEU B 51 -15.639 8.755 4.303 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.635 5.712 3.238 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.451 5.638 4.765 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.815 5.654 5.478 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.719 4.339 5.117 1.00 0.00 C ATOM 0 H LEU B 51 -15.037 6.199 0.901 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.584 6.670 3.333 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -15.007 4.758 2.865 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.672 5.887 2.759 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.873 6.502 5.092 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.663 5.601 6.556 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.344 6.575 5.231 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.406 4.798 5.152 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.584 4.278 6.197 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.306 3.486 4.776 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.745 4.327 4.629 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.168 8.808 2.634 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.681 10.180 3.002 1.00 0.00 C ATOM 1745 C ASN B 52 -14.854 11.163 2.916 1.00 0.00 C ATOM 1746 O ASN B 52 -14.961 12.074 3.712 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.536 10.491 1.987 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.878 11.499 0.840 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.685 12.395 0.964 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.228 11.422 -0.280 1.00 0.00 N ATOM 0 H ASN B 52 -13.708 8.394 1.823 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.300 10.258 4.020 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.684 10.882 2.543 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.217 9.553 1.533 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.404 12.102 -1.020 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.541 10.681 -0.421 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.729 10.967 1.937 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.898 11.871 1.758 1.00 0.00 C ATOM 1759 C ASP B 53 -17.840 11.789 2.976 1.00 0.00 C ATOM 1760 O ASP B 53 -18.457 12.772 3.350 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.617 11.374 0.498 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.592 12.447 0.000 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.158 13.317 -0.739 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.753 12.379 0.363 1.00 0.00 O ATOM 0 H ASP B 53 -15.669 10.209 1.257 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.587 12.911 1.664 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.889 11.142 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.156 10.452 0.716 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.944 10.620 3.596 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.833 10.458 4.795 1.00 0.00 C ATOM 1771 C ALA B 54 -18.281 11.268 5.983 1.00 0.00 C ATOM 1772 O ALA B 54 -19.030 11.862 6.737 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.814 8.956 5.098 1.00 0.00 C ATOM 0 H ALA B 54 -17.447 9.775 3.316 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.845 10.822 4.616 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.442 8.752 5.965 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.194 8.406 4.237 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.792 8.640 5.308 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.970 11.305 6.126 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.324 12.086 7.233 1.00 0.00 C ATOM 1781 C GLN B 55 -16.245 13.578 6.862 1.00 0.00 C ATOM 1782 O GLN B 55 -16.342 14.439 7.720 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.922 11.474 7.353 1.00 0.00 C ATOM 1784 CG GLN B 55 -15.013 10.095 8.017 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.657 9.402 7.922 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -13.095 8.996 8.919 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -13.100 9.259 6.756 1.00 0.00 N ATOM 0 H GLN B 55 -16.315 10.820 5.513 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.880 12.034 8.169 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.469 11.383 6.366 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.278 12.129 7.940 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.309 10.200 9.061 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.778 9.492 7.528 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.573 9.600 5.919 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.190 8.805 6.678 1.00 0.00 H new ATOM 1796 N ALA B 56 -16.042 13.878 5.589 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.923 15.300 5.131 1.00 0.00 C ATOM 1798 C ALA B 56 -16.309 15.432 3.644 1.00 0.00 C ATOM 1799 O ALA B 56 -16.160 14.489 2.899 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.442 15.600 5.304 1.00 0.00 C ATOM 0 H ALA B 56 -15.954 13.185 4.846 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.576 15.975 5.684 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.240 16.626 4.995 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.165 15.475 6.351 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.858 14.915 4.690 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.773 16.606 3.249 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.154 16.833 1.824 1.00 0.00 C ATOM 1808 C PRO B 57 -15.898 16.888 0.933 1.00 0.00 C ATOM 1809 O PRO B 57 -14.865 17.401 1.338 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.868 18.182 1.850 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.321 18.879 3.052 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.976 17.815 4.062 1.00 0.00 C ATOM 0 HA PRO B 57 -17.778 16.038 1.416 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.674 18.750 0.940 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.948 18.057 1.923 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.438 19.463 2.790 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -18.054 19.575 3.461 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -16.078 18.074 4.624 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.778 17.678 4.788 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.987 16.369 -0.271 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.804 16.387 -1.206 1.00 0.00 C ATOM 1822 C LYS B 58 -14.579 17.803 -1.770 1.00 0.00 C ATOM 1823 O LYS B 58 -15.527 18.385 -2.283 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.136 15.400 -2.338 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.086 13.959 -1.818 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.349 12.991 -2.977 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.491 11.559 -2.438 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.878 11.130 -2.791 1.00 0.00 N ATOM 1829 OXT LYS B 58 -13.463 18.281 -1.674 1.00 0.00 O ATOM 0 H LYS B 58 -16.827 15.932 -0.650 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.888 16.102 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.127 15.615 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.427 15.523 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.112 13.755 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.831 13.817 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.256 13.282 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.531 13.039 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.750 10.897 -2.886 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.334 11.529 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.062 10.187 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.562 11.810 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.977 11.094 -3.826 1.00 0.00 H new TER 1843 LYS B 58