USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 SER OG : rot 170:sc= -0.226 USER MOD Set 1.2: A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 TYR OH : rot 180:sc= -0.0993 USER MOD Set 2.2: A 63 THR OG1 : rot 44:sc= 1.07 USER MOD Single : A 1 GLY N :NH3+ 157:sc= 0 (180deg=-0.164) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.277 USER MOD Single : A 7 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.0997 K(o=-0.1,f=-0.69) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= -0.0813 (180deg=-0.444) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 28 SER OG : rot -164:sc= 0.994 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc=-0.00426 (180deg=-0.15) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0852 X(o=-0.085,f=-0.0019) USER MOD Single : A 45 GLN : amide:sc= -0.401 K(o=-0.4,f=-0.94) USER MOD Single : A 48 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.7!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.372 USER MOD Single : A 54 TYR OH : rot -126:sc= 0.0872 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 70 HIS : no HD1:sc= -7.78! C(o=-7.8!,f=-8.6!) USER MOD Single : A 74 THR OG1 : rot 64:sc= 1.11 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.637 K(o=-0.64,f=-2.9!) USER MOD Single : A 82 GLN : amide:sc= -0.818 K(o=-0.82,f=-4.3!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -1.23 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.206 K(o=-0.21,f=-2.6!) USER MOD Single : A 104 ASN : amide:sc= -0.0812 K(o=-0.081,f=-2.9!) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.882 -11.443 21.821 1.00 0.00 N ATOM 2 CA GLY A 1 15.408 -12.759 22.278 1.00 0.00 C ATOM 3 C GLY A 1 15.449 -13.786 21.164 1.00 0.00 C ATOM 4 O GLY A 1 16.496 -13.996 20.551 1.00 0.00 O ATOM 0 H1 GLY A 1 14.509 -10.916 22.636 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.649 -10.898 21.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.120 -11.595 21.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.412 -12.625 22.682 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.785 -13.133 23.090 1.00 0.00 H new ATOM 10 N PRO A 2 14.316 -14.449 20.873 1.00 0.00 N ATOM 11 CA PRO A 2 14.242 -15.462 19.816 1.00 0.00 C ATOM 12 C PRO A 2 14.355 -14.854 18.422 1.00 0.00 C ATOM 13 O PRO A 2 13.970 -13.707 18.200 1.00 0.00 O ATOM 14 CB PRO A 2 12.860 -16.086 20.017 1.00 0.00 C ATOM 15 CG PRO A 2 12.058 -15.023 20.683 1.00 0.00 C ATOM 16 CD PRO A 2 13.020 -14.262 21.553 1.00 0.00 C ATOM 0 HA PRO A 2 15.061 -16.179 19.881 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.416 -16.380 19.066 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.917 -16.984 20.633 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.594 -14.366 19.948 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.253 -15.456 21.277 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.751 -13.208 21.623 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.039 -14.654 22.570 1.00 0.00 H new ATOM 24 N GLY A 3 14.887 -15.632 17.484 1.00 0.00 N ATOM 25 CA GLY A 3 15.041 -15.152 16.122 1.00 0.00 C ATOM 26 C GLY A 3 16.395 -15.499 15.536 1.00 0.00 C ATOM 27 O GLY A 3 17.234 -14.621 15.334 1.00 0.00 O ATOM 0 H GLY A 3 15.214 -16.585 17.642 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.257 -15.581 15.498 1.00 0.00 H new ATOM 0 HA3 GLY A 3 14.907 -14.070 16.104 1.00 0.00 H new ATOM 31 N SER A 4 16.609 -16.782 15.262 1.00 0.00 N ATOM 32 CA SER A 4 17.872 -17.242 14.695 1.00 0.00 C ATOM 33 C SER A 4 17.679 -18.544 13.924 1.00 0.00 C ATOM 34 O SER A 4 18.116 -18.670 12.781 1.00 0.00 O ATOM 35 CB SER A 4 18.909 -17.440 15.801 1.00 0.00 C ATOM 36 OG SER A 4 20.220 -17.209 15.318 1.00 0.00 O ATOM 0 H SER A 4 15.925 -17.521 15.423 1.00 0.00 H new ATOM 0 HA SER A 4 18.230 -16.480 14.003 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.698 -16.761 16.627 1.00 0.00 H new ATOM 0 HB3 SER A 4 18.836 -18.454 16.195 1.00 0.00 H new ATOM 0 HG SER A 4 20.864 -17.340 16.045 1.00 0.00 H new ATOM 42 N LEU A 5 17.021 -19.510 14.558 1.00 0.00 N ATOM 43 CA LEU A 5 16.770 -20.801 13.931 1.00 0.00 C ATOM 44 C LEU A 5 15.416 -20.813 13.229 1.00 0.00 C ATOM 45 O LEU A 5 15.308 -21.213 12.072 1.00 0.00 O ATOM 46 CB LEU A 5 16.829 -21.919 14.977 1.00 0.00 C ATOM 47 CG LEU A 5 18.169 -22.651 15.064 1.00 0.00 C ATOM 48 CD1 LEU A 5 19.301 -21.664 15.299 1.00 0.00 C ATOM 49 CD2 LEU A 5 18.131 -23.695 16.172 1.00 0.00 C ATOM 0 H LEU A 5 16.653 -19.422 15.505 1.00 0.00 H new ATOM 0 HA LEU A 5 17.545 -20.971 13.184 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.600 -21.494 15.954 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.048 -22.646 14.754 1.00 0.00 H new ATOM 0 HG LEU A 5 18.349 -23.159 14.116 1.00 0.00 H new ATOM 0 HD11 LEU A 5 20.247 -22.203 15.358 1.00 0.00 H new ATOM 0 HD12 LEU A 5 19.340 -20.952 14.475 1.00 0.00 H new ATOM 0 HD13 LEU A 5 19.129 -21.129 16.233 1.00 0.00 H new ATOM 0 HD21 LEU A 5 19.092 -24.208 16.222 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.931 -23.206 17.126 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.344 -24.419 15.963 1.00 0.00 H new ATOM 61 N SER A 6 14.383 -20.369 13.941 1.00 0.00 N ATOM 62 CA SER A 6 13.035 -20.327 13.386 1.00 0.00 C ATOM 63 C SER A 6 12.564 -21.724 12.997 1.00 0.00 C ATOM 64 O SER A 6 13.321 -22.692 13.085 1.00 0.00 O ATOM 65 CB SER A 6 12.991 -19.403 12.169 1.00 0.00 C ATOM 66 OG SER A 6 11.702 -19.399 11.578 1.00 0.00 O ATOM 0 H SER A 6 14.455 -20.034 14.902 1.00 0.00 H new ATOM 0 HA SER A 6 12.365 -19.938 14.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.261 -18.390 12.468 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.730 -19.727 11.436 1.00 0.00 H new ATOM 0 HG SER A 6 11.699 -18.799 10.803 1.00 0.00 H new ATOM 72 N ASN A 7 11.311 -21.824 12.566 1.00 0.00 N ATOM 73 CA ASN A 7 10.740 -23.103 12.164 1.00 0.00 C ATOM 74 C ASN A 7 10.620 -23.192 10.646 1.00 0.00 C ATOM 75 O ASN A 7 10.068 -22.300 10.003 1.00 0.00 O ATOM 76 CB ASN A 7 9.366 -23.298 12.807 1.00 0.00 C ATOM 77 CG ASN A 7 9.428 -23.274 14.322 1.00 0.00 C ATOM 78 OD1 ASN A 7 8.669 -22.558 14.974 1.00 0.00 O ATOM 79 ND2 ASN A 7 10.336 -24.058 14.890 1.00 0.00 N ATOM 0 H ASN A 7 10.671 -21.033 12.486 1.00 0.00 H new ATOM 0 HA ASN A 7 11.408 -23.893 12.505 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.692 -22.515 12.461 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.946 -24.248 12.478 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.425 -24.083 15.906 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.945 -24.636 14.311 1.00 0.00 H new ATOM 86 N PHE A 8 11.140 -24.276 10.079 1.00 0.00 N ATOM 87 CA PHE A 8 11.091 -24.483 8.636 1.00 0.00 C ATOM 88 C PHE A 8 9.934 -25.405 8.259 1.00 0.00 C ATOM 89 O PHE A 8 10.140 -26.557 7.877 1.00 0.00 O ATOM 90 CB PHE A 8 12.418 -25.062 8.138 1.00 0.00 C ATOM 91 CG PHE A 8 13.018 -24.290 6.997 1.00 0.00 C ATOM 92 CD1 PHE A 8 12.590 -24.504 5.697 1.00 0.00 C ATOM 93 CD2 PHE A 8 14.011 -23.351 7.226 1.00 0.00 C ATOM 94 CE1 PHE A 8 13.141 -23.796 4.646 1.00 0.00 C ATOM 95 CE2 PHE A 8 14.566 -22.639 6.179 1.00 0.00 C ATOM 96 CZ PHE A 8 14.131 -22.863 4.888 1.00 0.00 C ATOM 0 H PHE A 8 11.600 -25.025 10.597 1.00 0.00 H new ATOM 0 HA PHE A 8 10.927 -23.518 8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.128 -25.085 8.964 1.00 0.00 H new ATOM 0 HB3 PHE A 8 12.260 -26.094 7.825 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.817 -25.233 5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 8 14.355 -23.173 8.234 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.798 -23.972 3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 8 15.338 -21.909 6.371 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.564 -22.309 4.068 1.00 0.00 H new ATOM 106 N ALA A 9 8.713 -24.889 8.372 1.00 0.00 N ATOM 107 CA ALA A 9 7.524 -25.665 8.044 1.00 0.00 C ATOM 108 C ALA A 9 6.455 -24.784 7.405 1.00 0.00 C ATOM 109 O ALA A 9 5.435 -24.478 8.025 1.00 0.00 O ATOM 110 CB ALA A 9 6.977 -26.343 9.291 1.00 0.00 C ATOM 0 H ALA A 9 8.523 -23.938 8.688 1.00 0.00 H new ATOM 0 HA ALA A 9 7.806 -26.431 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.089 -26.919 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.734 -27.009 9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.716 -25.587 10.031 1.00 0.00 H new ATOM 116 N ASN A 10 6.694 -24.382 6.162 1.00 0.00 N ATOM 117 CA ASN A 10 5.751 -23.537 5.438 1.00 0.00 C ATOM 118 C ASN A 10 5.555 -24.042 4.012 1.00 0.00 C ATOM 119 O ASN A 10 4.427 -24.164 3.534 1.00 0.00 O ATOM 120 CB ASN A 10 6.242 -22.089 5.414 1.00 0.00 C ATOM 121 CG ASN A 10 5.106 -21.092 5.523 1.00 0.00 C ATOM 122 OD1 ASN A 10 4.172 -21.277 6.303 1.00 0.00 O ATOM 123 ND2 ASN A 10 5.179 -20.024 4.736 1.00 0.00 N ATOM 0 H ASN A 10 7.532 -24.627 5.635 1.00 0.00 H new ATOM 0 HA ASN A 10 4.793 -23.579 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.940 -21.931 6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.792 -21.910 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.443 -19.319 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.971 -19.910 4.104 1.00 0.00 H new ATOM 130 N VAL A 11 6.662 -24.337 3.336 1.00 0.00 N ATOM 131 CA VAL A 11 6.612 -24.830 1.966 1.00 0.00 C ATOM 132 C VAL A 11 7.052 -26.289 1.892 1.00 0.00 C ATOM 133 O VAL A 11 8.232 -26.603 2.046 1.00 0.00 O ATOM 134 CB VAL A 11 7.500 -23.982 1.032 1.00 0.00 C ATOM 135 CG1 VAL A 11 8.957 -24.038 1.471 1.00 0.00 C ATOM 136 CG2 VAL A 11 7.354 -24.445 -0.412 1.00 0.00 C ATOM 0 H VAL A 11 7.604 -24.243 3.716 1.00 0.00 H new ATOM 0 HA VAL A 11 5.576 -24.751 1.636 1.00 0.00 H new ATOM 0 HB VAL A 11 7.168 -22.946 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.563 -23.433 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.046 -23.651 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.306 -25.070 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.988 -23.835 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.655 -25.490 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.315 -24.342 -0.724 1.00 0.00 H new ATOM 146 N GLY A 12 6.093 -27.179 1.658 1.00 0.00 N ATOM 147 CA GLY A 12 6.399 -28.595 1.569 1.00 0.00 C ATOM 148 C GLY A 12 5.278 -29.465 2.101 1.00 0.00 C ATOM 149 O GLY A 12 5.036 -30.557 1.588 1.00 0.00 O ATOM 0 H GLY A 12 5.109 -26.945 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.595 -28.856 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.312 -28.802 2.128 1.00 0.00 H new ATOM 153 N VAL A 13 4.593 -28.981 3.132 1.00 0.00 N ATOM 154 CA VAL A 13 3.492 -29.721 3.733 1.00 0.00 C ATOM 155 C VAL A 13 2.146 -29.208 3.234 1.00 0.00 C ATOM 156 O VAL A 13 1.310 -29.980 2.764 1.00 0.00 O ATOM 157 CB VAL A 13 3.524 -29.630 5.270 1.00 0.00 C ATOM 158 CG1 VAL A 13 2.495 -30.565 5.884 1.00 0.00 C ATOM 159 CG2 VAL A 13 4.918 -29.939 5.795 1.00 0.00 C ATOM 0 H VAL A 13 4.782 -28.079 3.568 1.00 0.00 H new ATOM 0 HA VAL A 13 3.614 -30.762 3.436 1.00 0.00 H new ATOM 0 HB VAL A 13 3.270 -28.610 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.534 -30.486 6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.500 -30.290 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.713 -31.591 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.921 -29.870 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.205 -30.947 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.629 -29.222 5.384 1.00 0.00 H new ATOM 169 N GLY A 14 1.943 -27.899 3.338 1.00 0.00 N ATOM 170 CA GLY A 14 0.697 -27.303 2.892 1.00 0.00 C ATOM 171 C GLY A 14 0.906 -25.971 2.200 1.00 0.00 C ATOM 172 O GLY A 14 2.037 -25.589 1.906 1.00 0.00 O ATOM 0 H GLY A 14 2.619 -27.240 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.194 -27.988 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.037 -27.164 3.748 1.00 0.00 H new ATOM 176 N THR A 15 -0.193 -25.263 1.941 1.00 0.00 N ATOM 177 CA THR A 15 -0.142 -23.959 1.276 1.00 0.00 C ATOM 178 C THR A 15 0.836 -23.966 0.104 1.00 0.00 C ATOM 179 O THR A 15 2.016 -23.661 0.264 1.00 0.00 O ATOM 180 CB THR A 15 0.243 -22.863 2.275 1.00 0.00 C ATOM 181 OG1 THR A 15 0.514 -21.646 1.602 1.00 0.00 O ATOM 182 CG2 THR A 15 1.459 -23.202 3.111 1.00 0.00 C ATOM 0 H THR A 15 -1.135 -25.572 2.183 1.00 0.00 H new ATOM 0 HA THR A 15 -1.137 -23.751 0.883 1.00 0.00 H new ATOM 0 HB THR A 15 -0.616 -22.770 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.757 -20.958 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.671 -22.380 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.266 -24.109 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.317 -23.361 2.458 1.00 0.00 H new ATOM 190 N SER A 16 0.332 -24.318 -1.076 1.00 0.00 N ATOM 191 CA SER A 16 1.159 -24.366 -2.275 1.00 0.00 C ATOM 192 C SER A 16 1.511 -22.959 -2.750 1.00 0.00 C ATOM 193 O SER A 16 1.214 -21.972 -2.076 1.00 0.00 O ATOM 194 CB SER A 16 0.435 -25.125 -3.389 1.00 0.00 C ATOM 195 OG SER A 16 1.343 -25.910 -4.143 1.00 0.00 O ATOM 0 H SER A 16 -0.644 -24.574 -1.226 1.00 0.00 H new ATOM 0 HA SER A 16 2.083 -24.889 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.333 -25.766 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.072 -24.418 -4.046 1.00 0.00 H new ATOM 0 HG SER A 16 0.856 -26.387 -4.848 1.00 0.00 H new ATOM 201 N SER A 17 2.145 -22.874 -3.916 1.00 0.00 N ATOM 202 CA SER A 17 2.537 -21.588 -4.482 1.00 0.00 C ATOM 203 C SER A 17 3.510 -20.862 -3.559 1.00 0.00 C ATOM 204 O SER A 17 3.529 -21.098 -2.351 1.00 0.00 O ATOM 205 CB SER A 17 1.303 -20.719 -4.729 1.00 0.00 C ATOM 206 OG SER A 17 0.311 -21.433 -5.445 1.00 0.00 O ATOM 0 H SER A 17 2.398 -23.681 -4.487 1.00 0.00 H new ATOM 0 HA SER A 17 3.037 -21.774 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.896 -20.381 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.588 -19.828 -5.288 1.00 0.00 H new ATOM 0 HG SER A 17 -0.468 -20.856 -5.588 1.00 0.00 H new ATOM 212 N GLY A 18 4.315 -19.977 -4.137 1.00 0.00 N ATOM 213 CA GLY A 18 5.280 -19.227 -3.352 1.00 0.00 C ATOM 214 C GLY A 18 5.002 -17.737 -3.361 1.00 0.00 C ATOM 215 O GLY A 18 5.176 -17.061 -2.346 1.00 0.00 O ATOM 0 H GLY A 18 4.317 -19.765 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.268 -19.590 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.281 -19.409 -3.742 1.00 0.00 H new ATOM 219 N LYS A 19 4.571 -17.224 -4.508 1.00 0.00 N ATOM 220 CA LYS A 19 4.270 -15.804 -4.645 1.00 0.00 C ATOM 221 C LYS A 19 2.828 -15.513 -4.240 1.00 0.00 C ATOM 222 O LYS A 19 1.889 -15.883 -4.942 1.00 0.00 O ATOM 223 CB LYS A 19 4.509 -15.346 -6.085 1.00 0.00 C ATOM 224 CG LYS A 19 5.964 -15.434 -6.518 1.00 0.00 C ATOM 225 CD LYS A 19 6.600 -14.056 -6.625 1.00 0.00 C ATOM 226 CE LYS A 19 7.974 -14.125 -7.273 1.00 0.00 C ATOM 227 NZ LYS A 19 8.983 -13.328 -6.522 1.00 0.00 N ATOM 0 H LYS A 19 4.422 -17.770 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 19 4.935 -15.252 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.902 -15.953 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.169 -14.316 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.521 -16.038 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.028 -15.941 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.954 -13.400 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.687 -13.616 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.299 -15.164 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.911 -13.758 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.906 -13.401 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.687 -12.332 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.062 -13.694 -5.552 1.00 0.00 H new ATOM 241 N GLN A 20 2.662 -14.846 -3.102 1.00 0.00 N ATOM 242 CA GLN A 20 1.335 -14.505 -2.604 1.00 0.00 C ATOM 243 C GLN A 20 1.039 -13.024 -2.812 1.00 0.00 C ATOM 244 O GLN A 20 1.904 -12.173 -2.604 1.00 0.00 O ATOM 245 CB GLN A 20 1.219 -14.857 -1.119 1.00 0.00 C ATOM 246 CG GLN A 20 1.068 -16.345 -0.856 1.00 0.00 C ATOM 247 CD GLN A 20 -0.353 -16.832 -1.060 1.00 0.00 C ATOM 248 OE1 GLN A 20 -0.658 -17.502 -2.046 1.00 0.00 O ATOM 249 NE2 GLN A 20 -1.232 -16.496 -0.122 1.00 0.00 N ATOM 0 H GLN A 20 3.429 -14.531 -2.508 1.00 0.00 H new ATOM 0 HA GLN A 20 0.603 -15.085 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.104 -14.493 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.362 -14.333 -0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.736 -16.897 -1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.380 -16.563 0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.935 -15.939 0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.204 -16.795 -0.203 1.00 0.00 H new ATOM 258 N LYS A 21 -0.188 -12.722 -3.224 1.00 0.00 N ATOM 259 CA LYS A 21 -0.598 -11.343 -3.461 1.00 0.00 C ATOM 260 C LYS A 21 -2.047 -11.124 -3.037 1.00 0.00 C ATOM 261 O LYS A 21 -2.772 -10.342 -3.652 1.00 0.00 O ATOM 262 CB LYS A 21 -0.425 -10.985 -4.938 1.00 0.00 C ATOM 263 CG LYS A 21 1.020 -10.731 -5.338 1.00 0.00 C ATOM 264 CD LYS A 21 1.174 -9.411 -6.076 1.00 0.00 C ATOM 265 CE LYS A 21 2.505 -8.748 -5.760 1.00 0.00 C ATOM 266 NZ LYS A 21 2.592 -8.326 -4.335 1.00 0.00 N ATOM 0 H LYS A 21 -0.916 -13.414 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 21 0.038 -10.693 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.825 -11.794 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.016 -10.096 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.649 -10.726 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.371 -11.546 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.097 -9.582 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.359 -8.742 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.317 -9.440 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.640 -7.879 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.257 -7.531 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.652 -8.029 -4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.928 -9.123 -3.757 1.00 0.00 H new ATOM 280 N ARG A 22 -2.461 -11.821 -1.984 1.00 0.00 N ATOM 281 CA ARG A 22 -3.824 -11.704 -1.476 1.00 0.00 C ATOM 282 C ARG A 22 -3.822 -11.339 0.004 1.00 0.00 C ATOM 283 O ARG A 22 -3.456 -12.151 0.853 1.00 0.00 O ATOM 284 CB ARG A 22 -4.584 -13.013 -1.691 1.00 0.00 C ATOM 285 CG ARG A 22 -5.138 -13.172 -3.098 1.00 0.00 C ATOM 286 CD ARG A 22 -6.580 -13.655 -3.083 1.00 0.00 C ATOM 287 NE ARG A 22 -7.528 -12.553 -3.238 1.00 0.00 N ATOM 288 CZ ARG A 22 -7.626 -11.809 -4.337 1.00 0.00 C ATOM 289 NH1 ARG A 22 -6.840 -12.046 -5.380 1.00 0.00 N ATOM 290 NH2 ARG A 22 -8.514 -10.825 -4.394 1.00 0.00 N ATOM 0 H ARG A 22 -1.872 -12.473 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.325 -10.908 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.919 -13.849 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.406 -13.067 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.079 -12.218 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.523 -13.880 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.729 -14.377 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.779 -14.175 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.151 -12.342 -2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.156 -12.802 -5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.920 -11.472 -6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.121 -10.639 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.590 -10.254 -5.236 1.00 0.00 H new ATOM 304 N TYR A 23 -4.234 -10.113 0.307 1.00 0.00 N ATOM 305 CA TYR A 23 -4.280 -9.641 1.687 1.00 0.00 C ATOM 306 C TYR A 23 -5.521 -8.787 1.933 1.00 0.00 C ATOM 307 O TYR A 23 -6.358 -9.120 2.773 1.00 0.00 O ATOM 308 CB TYR A 23 -3.017 -8.845 2.022 1.00 0.00 C ATOM 309 CG TYR A 23 -2.564 -7.918 0.915 1.00 0.00 C ATOM 310 CD1 TYR A 23 -2.012 -8.422 -0.256 1.00 0.00 C ATOM 311 CD2 TYR A 23 -2.691 -6.541 1.041 1.00 0.00 C ATOM 312 CE1 TYR A 23 -1.597 -7.578 -1.270 1.00 0.00 C ATOM 313 CE2 TYR A 23 -2.280 -5.691 0.031 1.00 0.00 C ATOM 314 CZ TYR A 23 -1.735 -6.215 -1.122 1.00 0.00 C ATOM 315 OH TYR A 23 -1.324 -5.372 -2.129 1.00 0.00 O ATOM 0 H TYR A 23 -4.541 -9.428 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.331 -10.513 2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.198 -8.258 2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.211 -9.542 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.905 -9.490 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.118 -6.127 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.167 -7.985 -2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.385 -4.622 0.145 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.492 -4.443 -1.867 1.00 0.00 H new ATOM 325 N LYS A 24 -5.639 -7.688 1.195 1.00 0.00 N ATOM 326 CA LYS A 24 -6.782 -6.791 1.332 1.00 0.00 C ATOM 327 C LYS A 24 -6.832 -6.169 2.724 1.00 0.00 C ATOM 328 O LYS A 24 -6.341 -5.059 2.927 1.00 0.00 O ATOM 329 CB LYS A 24 -8.084 -7.540 1.036 1.00 0.00 C ATOM 330 CG LYS A 24 -8.685 -7.203 -0.320 1.00 0.00 C ATOM 331 CD LYS A 24 -9.884 -8.086 -0.637 1.00 0.00 C ATOM 332 CE LYS A 24 -11.123 -7.262 -0.954 1.00 0.00 C ATOM 333 NZ LYS A 24 -11.805 -7.734 -2.190 1.00 0.00 N ATOM 0 H LYS A 24 -4.957 -7.397 0.495 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.666 -5.985 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.896 -8.612 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.811 -7.309 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.989 -6.156 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.928 -7.325 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.648 -8.729 -1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.089 -8.739 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.817 -7.313 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.842 -6.215 -1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.644 -7.146 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.152 -7.661 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.097 -8.725 -2.069 1.00 0.00 H new ATOM 347 N PHE A 25 -7.431 -6.880 3.677 1.00 0.00 N ATOM 348 CA PHE A 25 -7.544 -6.376 5.035 1.00 0.00 C ATOM 349 C PHE A 25 -8.366 -5.090 5.048 1.00 0.00 C ATOM 350 O PHE A 25 -8.196 -4.233 4.182 1.00 0.00 O ATOM 351 CB PHE A 25 -6.155 -6.127 5.619 1.00 0.00 C ATOM 352 CG PHE A 25 -5.685 -7.229 6.528 1.00 0.00 C ATOM 353 CD1 PHE A 25 -6.358 -7.509 7.705 1.00 0.00 C ATOM 354 CD2 PHE A 25 -4.569 -7.983 6.203 1.00 0.00 C ATOM 355 CE1 PHE A 25 -5.928 -8.521 8.542 1.00 0.00 C ATOM 356 CE2 PHE A 25 -4.133 -8.996 7.035 1.00 0.00 C ATOM 357 CZ PHE A 25 -4.814 -9.265 8.207 1.00 0.00 C ATOM 0 H PHE A 25 -7.842 -7.802 3.531 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.051 -7.120 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.441 -6.009 4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.164 -5.188 6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.229 -6.930 7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.033 -7.776 5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.463 -8.730 9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.262 -9.577 6.770 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.475 -10.056 8.860 1.00 0.00 H new ATOM 367 N SER A 26 -9.254 -4.949 6.028 1.00 0.00 N ATOM 368 CA SER A 26 -10.075 -3.753 6.124 1.00 0.00 C ATOM 369 C SER A 26 -9.208 -2.579 6.550 1.00 0.00 C ATOM 370 O SER A 26 -9.386 -2.020 7.633 1.00 0.00 O ATOM 371 CB SER A 26 -11.213 -3.965 7.126 1.00 0.00 C ATOM 372 OG SER A 26 -11.542 -5.339 7.241 1.00 0.00 O ATOM 0 H SER A 26 -9.420 -5.642 6.758 1.00 0.00 H new ATOM 0 HA SER A 26 -10.514 -3.541 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.921 -3.575 8.101 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.091 -3.403 6.808 1.00 0.00 H new ATOM 0 HG SER A 26 -12.270 -5.448 7.888 1.00 0.00 H new ATOM 378 N ALA A 27 -8.247 -2.229 5.702 1.00 0.00 N ATOM 379 CA ALA A 27 -7.332 -1.144 6.009 1.00 0.00 C ATOM 380 C ALA A 27 -6.547 -1.466 7.278 1.00 0.00 C ATOM 381 O ALA A 27 -6.067 -0.567 7.967 1.00 0.00 O ATOM 382 CB ALA A 27 -8.090 0.165 6.168 1.00 0.00 C ATOM 0 H ALA A 27 -8.085 -2.680 4.802 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.631 -1.033 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.388 0.966 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.614 0.397 5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.812 0.071 6.979 1.00 0.00 H new ATOM 388 N SER A 28 -6.429 -2.762 7.586 1.00 0.00 N ATOM 389 CA SER A 28 -5.708 -3.197 8.779 1.00 0.00 C ATOM 390 C SER A 28 -4.305 -2.605 8.826 1.00 0.00 C ATOM 391 O SER A 28 -3.722 -2.456 9.900 1.00 0.00 O ATOM 392 CB SER A 28 -5.635 -4.725 8.830 1.00 0.00 C ATOM 393 OG SER A 28 -4.579 -5.212 8.022 1.00 0.00 O ATOM 0 H SER A 28 -6.822 -3.520 7.028 1.00 0.00 H new ATOM 0 HA SER A 28 -6.257 -2.837 9.649 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.489 -5.051 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.581 -5.149 8.492 1.00 0.00 H new ATOM 0 HG SER A 28 -4.704 -6.171 7.864 1.00 0.00 H new ATOM 399 N GLU A 29 -3.771 -2.255 7.661 1.00 0.00 N ATOM 400 CA GLU A 29 -2.438 -1.662 7.594 1.00 0.00 C ATOM 401 C GLU A 29 -2.515 -0.183 7.956 1.00 0.00 C ATOM 402 O GLU A 29 -1.799 0.292 8.840 1.00 0.00 O ATOM 403 CB GLU A 29 -1.805 -1.830 6.200 1.00 0.00 C ATOM 404 CG GLU A 29 -2.619 -2.674 5.228 1.00 0.00 C ATOM 405 CD GLU A 29 -3.639 -1.858 4.459 1.00 0.00 C ATOM 406 OE1 GLU A 29 -3.241 -0.867 3.812 1.00 0.00 O ATOM 407 OE2 GLU A 29 -4.837 -2.209 4.506 1.00 0.00 O ATOM 0 H GLU A 29 -4.233 -2.369 6.759 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.803 -2.185 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.653 -0.843 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.820 -2.282 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.945 -3.162 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.131 -3.463 5.779 1.00 0.00 H new ATOM 414 N ASP A 30 -3.406 0.533 7.278 1.00 0.00 N ATOM 415 CA ASP A 30 -3.597 1.954 7.533 1.00 0.00 C ATOM 416 C ASP A 30 -4.077 2.176 8.962 1.00 0.00 C ATOM 417 O ASP A 30 -3.806 3.215 9.564 1.00 0.00 O ATOM 418 CB ASP A 30 -4.603 2.542 6.545 1.00 0.00 C ATOM 419 CG ASP A 30 -4.229 2.264 5.103 1.00 0.00 C ATOM 420 OD1 ASP A 30 -4.476 1.133 4.633 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.690 3.177 4.443 1.00 0.00 O ATOM 0 H ASP A 30 -4.007 0.151 6.548 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.640 2.460 7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.591 2.128 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.671 3.619 6.698 1.00 0.00 H new ATOM 426 N GLU A 31 -4.786 1.188 9.502 1.00 0.00 N ATOM 427 CA GLU A 31 -5.297 1.275 10.862 1.00 0.00 C ATOM 428 C GLU A 31 -4.160 1.162 11.869 1.00 0.00 C ATOM 429 O GLU A 31 -4.227 1.717 12.964 1.00 0.00 O ATOM 430 CB GLU A 31 -6.337 0.179 11.113 1.00 0.00 C ATOM 431 CG GLU A 31 -7.561 0.666 11.872 1.00 0.00 C ATOM 432 CD GLU A 31 -8.011 -0.311 12.941 1.00 0.00 C ATOM 433 OE1 GLU A 31 -8.300 -1.476 12.595 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.074 0.089 14.122 1.00 0.00 O ATOM 0 H GLU A 31 -5.018 0.321 9.018 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.776 2.246 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.654 -0.236 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.871 -0.632 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.338 1.628 12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.378 0.832 11.169 1.00 0.00 H new ATOM 441 N ALA A 32 -3.112 0.440 11.489 1.00 0.00 N ATOM 442 CA ALA A 32 -1.961 0.264 12.360 1.00 0.00 C ATOM 443 C ALA A 32 -1.104 1.521 12.374 1.00 0.00 C ATOM 444 O ALA A 32 -0.554 1.895 13.411 1.00 0.00 O ATOM 445 CB ALA A 32 -1.141 -0.941 11.924 1.00 0.00 C ATOM 0 H ALA A 32 -3.038 -0.030 10.587 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.320 0.085 13.373 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.284 -1.057 12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.759 -1.838 11.970 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.792 -0.793 10.902 1.00 0.00 H new ATOM 451 N ILE A 33 -1.000 2.179 11.225 1.00 0.00 N ATOM 452 CA ILE A 33 -0.213 3.402 11.128 1.00 0.00 C ATOM 453 C ILE A 33 -0.908 4.546 11.844 1.00 0.00 C ATOM 454 O ILE A 33 -0.269 5.329 12.548 1.00 0.00 O ATOM 455 CB ILE A 33 0.051 3.828 9.672 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.373 2.612 8.805 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.184 4.842 9.627 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.777 2.964 7.387 1.00 0.00 C ATOM 0 H ILE A 33 -1.447 1.889 10.355 1.00 0.00 H new ATOM 0 HA ILE A 33 0.744 3.181 11.600 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.849 4.294 9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.179 2.046 9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.499 1.958 8.773 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.366 5.139 8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.911 5.719 10.214 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.088 4.396 10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.990 2.050 6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.036 3.503 6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.668 3.592 7.408 1.00 0.00 H new ATOM 470 N ILE A 34 -2.221 4.641 11.665 1.00 0.00 N ATOM 471 CA ILE A 34 -2.984 5.697 12.307 1.00 0.00 C ATOM 472 C ILE A 34 -2.983 5.507 13.818 1.00 0.00 C ATOM 473 O ILE A 34 -2.868 6.469 14.577 1.00 0.00 O ATOM 474 CB ILE A 34 -4.436 5.764 11.795 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.123 4.407 11.948 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.464 6.217 10.341 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.016 4.315 13.167 1.00 0.00 C ATOM 0 H ILE A 34 -2.771 4.006 11.087 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.499 6.639 12.053 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.981 6.492 12.395 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.717 4.207 11.056 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.362 3.628 12.005 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.496 6.260 9.993 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.012 7.206 10.259 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.904 5.510 9.729 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.470 3.325 13.211 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.423 4.483 14.066 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.799 5.071 13.102 1.00 0.00 H new ATOM 489 N LYS A 35 -3.087 4.252 14.246 1.00 0.00 N ATOM 490 CA LYS A 35 -3.075 3.933 15.666 1.00 0.00 C ATOM 491 C LYS A 35 -1.666 4.087 16.217 1.00 0.00 C ATOM 492 O LYS A 35 -1.469 4.542 17.344 1.00 0.00 O ATOM 493 CB LYS A 35 -3.583 2.510 15.903 1.00 0.00 C ATOM 494 CG LYS A 35 -4.158 2.294 17.295 1.00 0.00 C ATOM 495 CD LYS A 35 -5.605 1.833 17.238 1.00 0.00 C ATOM 496 CE LYS A 35 -6.117 1.436 18.614 1.00 0.00 C ATOM 497 NZ LYS A 35 -5.481 0.182 19.102 1.00 0.00 N ATOM 0 H LYS A 35 -3.180 3.444 13.631 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.739 4.624 16.185 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.348 2.278 15.162 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.763 1.809 15.744 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.560 1.553 17.825 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.093 3.222 17.864 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.227 2.632 16.833 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.692 0.986 16.558 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.920 2.242 19.321 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.198 1.303 18.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.014 -0.183 19.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.483 -0.527 18.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.501 0.379 19.389 1.00 0.00 H new ATOM 511 N GLY A 36 -0.684 3.715 15.402 1.00 0.00 N ATOM 512 CA GLY A 36 0.700 3.829 15.808 1.00 0.00 C ATOM 513 C GLY A 36 1.108 5.273 16.008 1.00 0.00 C ATOM 514 O GLY A 36 1.634 5.639 17.059 1.00 0.00 O ATOM 0 H GLY A 36 -0.825 3.336 14.466 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.854 3.276 16.734 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.340 3.371 15.053 1.00 0.00 H new ATOM 518 N LEU A 37 0.851 6.098 14.997 1.00 0.00 N ATOM 519 CA LEU A 37 1.184 7.515 15.065 1.00 0.00 C ATOM 520 C LEU A 37 0.447 8.181 16.223 1.00 0.00 C ATOM 521 O LEU A 37 0.989 9.060 16.893 1.00 0.00 O ATOM 522 CB LEU A 37 0.829 8.209 13.745 1.00 0.00 C ATOM 523 CG LEU A 37 2.030 8.685 12.924 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.406 7.649 11.878 1.00 0.00 C ATOM 525 CD2 LEU A 37 1.727 10.023 12.266 1.00 0.00 C ATOM 0 H LEU A 37 0.414 5.809 14.122 1.00 0.00 H new ATOM 0 HA LEU A 37 2.257 7.610 15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.241 7.522 13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.193 9.067 13.962 1.00 0.00 H new ATOM 0 HG LEU A 37 2.878 8.816 13.597 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.262 8.005 11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.664 6.712 12.371 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.562 7.486 11.208 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.591 10.347 11.686 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.866 9.917 11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.506 10.764 13.034 1.00 0.00 H new ATOM 537 N ALA A 38 -0.790 7.751 16.455 1.00 0.00 N ATOM 538 CA ALA A 38 -1.595 8.304 17.537 1.00 0.00 C ATOM 539 C ALA A 38 -0.966 8.011 18.896 1.00 0.00 C ATOM 540 O ALA A 38 -1.204 8.728 19.868 1.00 0.00 O ATOM 541 CB ALA A 38 -3.012 7.750 17.478 1.00 0.00 C ATOM 0 H ALA A 38 -1.254 7.024 15.910 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.634 9.386 17.410 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.602 8.172 18.292 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.467 8.016 16.524 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.983 6.665 17.576 1.00 0.00 H new ATOM 547 N ARG A 39 -0.165 6.951 18.959 1.00 0.00 N ATOM 548 CA ARG A 39 0.494 6.563 20.201 1.00 0.00 C ATOM 549 C ARG A 39 2.012 6.549 20.039 1.00 0.00 C ATOM 550 O ARG A 39 2.711 5.818 20.742 1.00 0.00 O ATOM 551 CB ARG A 39 0.005 5.186 20.653 1.00 0.00 C ATOM 552 CG ARG A 39 0.143 4.950 22.148 1.00 0.00 C ATOM 553 CD ARG A 39 1.144 3.847 22.452 1.00 0.00 C ATOM 554 NE ARG A 39 1.147 3.484 23.867 1.00 0.00 N ATOM 555 CZ ARG A 39 2.142 2.834 24.465 1.00 0.00 C ATOM 556 NH1 ARG A 39 3.217 2.471 23.774 1.00 0.00 N ATOM 557 NH2 ARG A 39 2.064 2.544 25.755 1.00 0.00 N ATOM 0 H ARG A 39 0.043 6.346 18.165 1.00 0.00 H new ATOM 0 HA ARG A 39 0.238 7.301 20.961 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.042 5.071 20.371 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.565 4.418 20.120 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.459 5.873 22.635 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.828 4.686 22.566 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.907 2.968 21.853 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.142 4.173 22.159 1.00 0.00 H new ATOM 0 HE ARG A 39 0.338 3.745 24.430 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.282 2.690 22.780 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.977 1.973 24.237 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.241 2.819 26.291 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.827 2.046 26.213 1.00 0.00 H new ATOM 571 N PHE A 40 2.518 7.360 19.115 1.00 0.00 N ATOM 572 CA PHE A 40 3.954 7.439 18.868 1.00 0.00 C ATOM 573 C PHE A 40 4.327 8.779 18.244 1.00 0.00 C ATOM 574 O PHE A 40 4.369 8.916 17.022 1.00 0.00 O ATOM 575 CB PHE A 40 4.402 6.299 17.949 1.00 0.00 C ATOM 576 CG PHE A 40 4.381 4.949 18.606 1.00 0.00 C ATOM 577 CD1 PHE A 40 5.034 4.740 19.810 1.00 0.00 C ATOM 578 CD2 PHE A 40 3.708 3.890 18.019 1.00 0.00 C ATOM 579 CE1 PHE A 40 5.016 3.499 20.418 1.00 0.00 C ATOM 580 CE2 PHE A 40 3.687 2.646 18.622 1.00 0.00 C ATOM 581 CZ PHE A 40 4.340 2.451 19.822 1.00 0.00 C ATOM 0 H PHE A 40 1.955 7.972 18.525 1.00 0.00 H new ATOM 0 HA PHE A 40 4.464 7.347 19.827 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.755 6.276 17.072 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.412 6.505 17.595 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.563 5.556 20.279 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.194 4.038 17.081 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.529 3.348 21.356 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.160 1.828 18.154 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.323 1.480 20.295 1.00 0.00 H new ATOM 591 N THR A 41 4.597 9.768 19.092 1.00 0.00 N ATOM 592 CA THR A 41 4.965 11.098 18.619 1.00 0.00 C ATOM 593 C THR A 41 5.926 11.776 19.591 1.00 0.00 C ATOM 594 O THR A 41 5.539 12.670 20.343 1.00 0.00 O ATOM 595 CB THR A 41 3.716 11.960 18.432 1.00 0.00 C ATOM 596 OG1 THR A 41 2.749 11.666 19.426 1.00 0.00 O ATOM 597 CG2 THR A 41 3.057 11.775 17.081 1.00 0.00 C ATOM 0 H THR A 41 4.568 9.673 20.107 1.00 0.00 H new ATOM 0 HA THR A 41 5.468 10.988 17.658 1.00 0.00 H new ATOM 0 HB THR A 41 4.063 12.990 18.511 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.958 12.229 19.290 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.177 12.415 17.014 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.761 12.043 16.293 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.758 10.734 16.962 1.00 0.00 H new ATOM 605 N LYS A 42 7.183 11.346 19.566 1.00 0.00 N ATOM 606 CA LYS A 42 8.202 11.911 20.443 1.00 0.00 C ATOM 607 C LYS A 42 9.295 12.605 19.634 1.00 0.00 C ATOM 608 O LYS A 42 9.851 13.615 20.066 1.00 0.00 O ATOM 609 CB LYS A 42 8.817 10.818 21.318 1.00 0.00 C ATOM 610 CG LYS A 42 7.796 10.060 22.151 1.00 0.00 C ATOM 611 CD LYS A 42 8.146 10.090 23.631 1.00 0.00 C ATOM 612 CE LYS A 42 7.511 11.282 24.329 1.00 0.00 C ATOM 613 NZ LYS A 42 8.432 11.903 25.320 1.00 0.00 N ATOM 0 H LYS A 42 7.521 10.608 18.948 1.00 0.00 H new ATOM 0 HA LYS A 42 7.722 12.652 21.083 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.351 10.112 20.682 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.554 11.268 21.983 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.808 10.496 22.001 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.743 9.026 21.810 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.809 9.168 24.104 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.229 10.132 23.749 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.223 12.026 23.586 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.598 10.963 24.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.960 12.712 25.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.688 11.201 26.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.293 12.231 24.836 1.00 0.00 H new ATOM 627 N GLY A 43 9.600 12.057 18.462 1.00 0.00 N ATOM 628 CA GLY A 43 10.624 12.638 17.616 1.00 0.00 C ATOM 629 C GLY A 43 10.052 13.318 16.388 1.00 0.00 C ATOM 630 O GLY A 43 8.845 13.543 16.301 1.00 0.00 O ATOM 0 H GLY A 43 9.156 11.221 18.084 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.198 13.363 18.193 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.318 11.857 17.304 1.00 0.00 H new ATOM 634 N GLN A 44 10.921 13.647 15.438 1.00 0.00 N ATOM 635 CA GLN A 44 10.498 14.309 14.209 1.00 0.00 C ATOM 636 C GLN A 44 10.389 13.307 13.062 1.00 0.00 C ATOM 637 O GLN A 44 10.597 13.657 11.899 1.00 0.00 O ATOM 638 CB GLN A 44 11.480 15.422 13.839 1.00 0.00 C ATOM 639 CG GLN A 44 10.810 16.651 13.244 1.00 0.00 C ATOM 640 CD GLN A 44 11.409 17.056 11.912 1.00 0.00 C ATOM 641 OE1 GLN A 44 10.691 17.288 10.940 1.00 0.00 O ATOM 642 NE2 GLN A 44 12.734 17.143 11.862 1.00 0.00 N ATOM 0 H GLN A 44 11.923 13.466 15.496 1.00 0.00 H new ATOM 0 HA GLN A 44 9.514 14.746 14.381 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.035 15.716 14.730 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.206 15.032 13.125 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.746 16.453 13.114 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.896 17.482 13.944 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.290 16.941 12.693 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.195 17.411 10.993 1.00 0.00 H new ATOM 651 N GLN A 45 10.065 12.063 13.397 1.00 0.00 N ATOM 652 CA GLN A 45 9.928 11.012 12.396 1.00 0.00 C ATOM 653 C GLN A 45 9.101 9.852 12.941 1.00 0.00 C ATOM 654 O GLN A 45 9.622 8.765 13.193 1.00 0.00 O ATOM 655 CB GLN A 45 11.306 10.512 11.956 1.00 0.00 C ATOM 656 CG GLN A 45 12.290 10.344 13.101 1.00 0.00 C ATOM 657 CD GLN A 45 13.199 11.546 13.268 1.00 0.00 C ATOM 658 OE1 GLN A 45 13.310 12.108 14.359 1.00 0.00 O ATOM 659 NE2 GLN A 45 13.855 11.947 12.186 1.00 0.00 N ATOM 0 H GLN A 45 9.892 11.758 14.355 1.00 0.00 H new ATOM 0 HA GLN A 45 9.412 11.430 11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.190 9.556 11.446 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.722 11.212 11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.740 10.178 14.027 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.897 9.455 12.927 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.733 11.452 11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.481 12.750 12.238 1.00 0.00 H new ATOM 668 N ARG A 46 7.807 10.093 13.125 1.00 0.00 N ATOM 669 CA ARG A 46 6.903 9.074 13.645 1.00 0.00 C ATOM 670 C ARG A 46 6.538 8.062 12.561 1.00 0.00 C ATOM 671 O ARG A 46 6.317 6.886 12.848 1.00 0.00 O ATOM 672 CB ARG A 46 5.628 9.718 14.198 1.00 0.00 C ATOM 673 CG ARG A 46 5.856 11.085 14.828 1.00 0.00 C ATOM 674 CD ARG A 46 5.482 12.208 13.873 1.00 0.00 C ATOM 675 NE ARG A 46 4.068 12.562 13.971 1.00 0.00 N ATOM 676 CZ ARG A 46 3.493 13.524 13.253 1.00 0.00 C ATOM 677 NH1 ARG A 46 4.207 14.230 12.384 1.00 0.00 N ATOM 678 NH2 ARG A 46 2.201 13.782 13.403 1.00 0.00 N ATOM 0 H ARG A 46 7.360 10.987 12.921 1.00 0.00 H new ATOM 0 HA ARG A 46 7.419 8.552 14.451 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.902 9.816 13.391 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.189 9.053 14.942 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.265 11.170 15.740 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.903 11.184 15.116 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.091 13.086 14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.710 11.906 12.851 1.00 0.00 H new ATOM 0 HE ARG A 46 3.487 12.041 14.628 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.201 14.036 12.264 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.761 14.966 11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.647 13.243 14.069 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.761 14.519 12.853 1.00 0.00 H new ATOM 692 N PHE A 47 6.474 8.530 11.318 1.00 0.00 N ATOM 693 CA PHE A 47 6.129 7.667 10.192 1.00 0.00 C ATOM 694 C PHE A 47 7.133 6.528 10.040 1.00 0.00 C ATOM 695 O PHE A 47 6.753 5.371 9.859 1.00 0.00 O ATOM 696 CB PHE A 47 6.070 8.486 8.901 1.00 0.00 C ATOM 697 CG PHE A 47 5.293 9.764 9.036 1.00 0.00 C ATOM 698 CD1 PHE A 47 3.909 9.759 8.977 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.950 10.972 9.222 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.192 10.934 9.101 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.237 12.149 9.347 1.00 0.00 C ATOM 702 CZ PHE A 47 3.857 12.131 9.287 1.00 0.00 C ATOM 0 H PHE A 47 6.656 9.501 11.065 1.00 0.00 H new ATOM 0 HA PHE A 47 5.149 7.232 10.389 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.086 8.720 8.582 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.621 7.879 8.115 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.384 8.826 8.832 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.029 10.992 9.270 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.113 10.917 9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.759 13.083 9.492 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.299 13.050 9.385 1.00 0.00 H new ATOM 712 N GLN A 48 8.417 6.859 10.112 1.00 0.00 N ATOM 713 CA GLN A 48 9.470 5.859 9.979 1.00 0.00 C ATOM 714 C GLN A 48 9.508 4.939 11.196 1.00 0.00 C ATOM 715 O GLN A 48 9.465 3.715 11.064 1.00 0.00 O ATOM 716 CB GLN A 48 10.829 6.538 9.796 1.00 0.00 C ATOM 717 CG GLN A 48 10.843 7.582 8.690 1.00 0.00 C ATOM 718 CD GLN A 48 12.078 8.461 8.736 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.205 7.972 8.665 1.00 0.00 O ATOM 720 NE2 GLN A 48 11.870 9.768 8.855 1.00 0.00 N ATOM 0 H GLN A 48 8.754 7.810 10.261 1.00 0.00 H new ATOM 0 HA GLN A 48 9.251 5.256 9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.119 7.011 10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.579 5.778 9.577 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.793 7.082 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.953 8.206 8.773 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.918 10.130 8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.662 10.409 8.891 1.00 0.00 H new ATOM 729 N GLN A 49 9.595 5.537 12.380 1.00 0.00 N ATOM 730 CA GLN A 49 9.645 4.775 13.622 1.00 0.00 C ATOM 731 C GLN A 49 8.422 3.874 13.770 1.00 0.00 C ATOM 732 O GLN A 49 8.546 2.696 14.099 1.00 0.00 O ATOM 733 CB GLN A 49 9.743 5.720 14.821 1.00 0.00 C ATOM 734 CG GLN A 49 10.605 5.181 15.951 1.00 0.00 C ATOM 735 CD GLN A 49 11.507 6.239 16.554 1.00 0.00 C ATOM 736 OE1 GLN A 49 11.476 7.402 16.149 1.00 0.00 O ATOM 737 NE2 GLN A 49 12.318 5.842 17.528 1.00 0.00 N ATOM 0 H GLN A 49 9.632 6.549 12.505 1.00 0.00 H new ATOM 0 HA GLN A 49 10.532 4.143 13.589 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.150 6.675 14.488 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.741 5.916 15.202 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.962 4.771 16.730 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.215 4.359 15.577 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.311 4.869 17.833 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.948 6.511 17.971 1.00 0.00 H new ATOM 746 N ILE A 50 7.241 4.437 13.532 1.00 0.00 N ATOM 747 CA ILE A 50 6.001 3.677 13.648 1.00 0.00 C ATOM 748 C ILE A 50 5.972 2.516 12.660 1.00 0.00 C ATOM 749 O ILE A 50 5.515 1.422 12.987 1.00 0.00 O ATOM 750 CB ILE A 50 4.761 4.575 13.437 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.517 3.916 14.038 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.548 4.878 11.959 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.073 2.666 13.305 1.00 0.00 C ATOM 0 H ILE A 50 7.117 5.412 13.259 1.00 0.00 H new ATOM 0 HA ILE A 50 5.968 3.278 14.662 1.00 0.00 H new ATOM 0 HB ILE A 50 4.936 5.521 13.950 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.718 3.663 15.079 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.699 4.636 14.037 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.669 5.511 11.840 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.423 5.394 11.564 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.400 3.946 11.414 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.187 2.256 13.789 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.839 2.915 12.270 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.874 1.927 13.328 1.00 0.00 H new ATOM 765 N TYR A 51 6.461 2.764 11.449 1.00 0.00 N ATOM 766 CA TYR A 51 6.488 1.734 10.416 1.00 0.00 C ATOM 767 C TYR A 51 7.289 0.523 10.879 1.00 0.00 C ATOM 768 O TYR A 51 6.884 -0.620 10.671 1.00 0.00 O ATOM 769 CB TYR A 51 7.081 2.286 9.118 1.00 0.00 C ATOM 770 CG TYR A 51 7.110 1.274 7.993 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.971 1.002 7.245 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.278 0.587 7.682 1.00 0.00 C ATOM 773 CE1 TYR A 51 5.995 0.076 6.220 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.309 -0.339 6.658 1.00 0.00 C ATOM 775 CZ TYR A 51 7.165 -0.592 5.932 1.00 0.00 C ATOM 776 OH TYR A 51 7.193 -1.515 4.911 1.00 0.00 O ATOM 0 H TYR A 51 6.842 3.665 11.160 1.00 0.00 H new ATOM 0 HA TYR A 51 5.461 1.422 10.228 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.501 3.153 8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.096 2.634 9.310 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.052 1.523 7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.176 0.781 8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.101 -0.123 5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.225 -0.862 6.427 1.00 0.00 H new ATOM 0 HH TYR A 51 8.094 -1.895 4.838 1.00 0.00 H new ATOM 786 N TYR A 52 8.430 0.786 11.503 1.00 0.00 N ATOM 787 CA TYR A 52 9.294 -0.281 11.996 1.00 0.00 C ATOM 788 C TYR A 52 8.647 -1.027 13.157 1.00 0.00 C ATOM 789 O TYR A 52 8.832 -2.235 13.308 1.00 0.00 O ATOM 790 CB TYR A 52 10.645 0.289 12.431 1.00 0.00 C ATOM 791 CG TYR A 52 11.565 0.614 11.275 1.00 0.00 C ATOM 792 CD1 TYR A 52 12.136 -0.395 10.511 1.00 0.00 C ATOM 793 CD2 TYR A 52 11.863 1.932 10.948 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.977 -0.103 9.456 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.702 2.231 9.893 1.00 0.00 C ATOM 796 CZ TYR A 52 13.258 1.211 9.150 1.00 0.00 C ATOM 797 OH TYR A 52 14.094 1.507 8.098 1.00 0.00 O ATOM 0 H TYR A 52 8.779 1.728 11.680 1.00 0.00 H new ATOM 0 HA TYR A 52 9.448 -0.988 11.181 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.477 1.193 13.016 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.139 -0.428 13.087 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.918 -1.426 10.746 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.432 2.734 11.528 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.413 -0.901 8.873 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.922 3.260 9.651 1.00 0.00 H new ATOM 0 HH TYR A 52 14.186 2.479 8.017 1.00 0.00 H new ATOM 807 N ALA A 53 7.892 -0.306 13.977 1.00 0.00 N ATOM 808 CA ALA A 53 7.226 -0.912 15.124 1.00 0.00 C ATOM 809 C ALA A 53 6.099 -1.835 14.681 1.00 0.00 C ATOM 810 O ALA A 53 6.043 -3.000 15.077 1.00 0.00 O ATOM 811 CB ALA A 53 6.693 0.165 16.056 1.00 0.00 C ATOM 0 H ALA A 53 7.726 0.695 13.870 1.00 0.00 H new ATOM 0 HA ALA A 53 7.960 -1.511 15.662 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.199 -0.303 16.907 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.519 0.781 16.410 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.979 0.789 15.520 1.00 0.00 H new ATOM 817 N TYR A 54 5.209 -1.311 13.850 1.00 0.00 N ATOM 818 CA TYR A 54 4.086 -2.090 13.340 1.00 0.00 C ATOM 819 C TYR A 54 4.524 -3.016 12.201 1.00 0.00 C ATOM 820 O TYR A 54 3.715 -3.772 11.662 1.00 0.00 O ATOM 821 CB TYR A 54 2.946 -1.158 12.896 1.00 0.00 C ATOM 822 CG TYR A 54 2.859 -0.925 11.400 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.189 -1.822 10.578 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.440 0.192 10.816 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.103 -1.613 9.214 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.359 0.408 9.454 1.00 0.00 C ATOM 827 CZ TYR A 54 2.690 -0.496 8.657 1.00 0.00 C ATOM 828 OH TYR A 54 2.607 -0.284 7.301 1.00 0.00 O ATOM 0 H TYR A 54 5.242 -0.349 13.513 1.00 0.00 H new ATOM 0 HA TYR A 54 3.715 -2.723 14.146 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.000 -1.576 13.240 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.069 -0.195 13.393 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.728 -2.697 11.011 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.964 0.904 11.437 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.579 -2.320 8.588 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.818 1.282 9.015 1.00 0.00 H new ATOM 0 HH TYR A 54 3.507 -0.158 6.934 1.00 0.00 H new ATOM 838 N ARG A 55 5.805 -2.955 11.837 1.00 0.00 N ATOM 839 CA ARG A 55 6.340 -3.785 10.762 1.00 0.00 C ATOM 840 C ARG A 55 6.032 -5.262 10.994 1.00 0.00 C ATOM 841 O ARG A 55 5.992 -6.052 10.051 1.00 0.00 O ATOM 842 CB ARG A 55 7.852 -3.584 10.642 1.00 0.00 C ATOM 843 CG ARG A 55 8.398 -3.875 9.254 1.00 0.00 C ATOM 844 CD ARG A 55 9.916 -3.809 9.228 1.00 0.00 C ATOM 845 NE ARG A 55 10.484 -4.661 8.185 1.00 0.00 N ATOM 846 CZ ARG A 55 11.750 -5.070 8.169 1.00 0.00 C ATOM 847 NH1 ARG A 55 12.585 -4.708 9.136 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.184 -5.844 7.184 1.00 0.00 N ATOM 0 H ARG A 55 6.491 -2.338 12.272 1.00 0.00 H new ATOM 0 HA ARG A 55 5.859 -3.478 9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.096 -2.556 10.911 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.354 -4.229 11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.070 -4.864 8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.989 -3.157 8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.231 -2.778 9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.309 -4.113 10.198 1.00 0.00 H new ATOM 0 HE ARG A 55 9.874 -4.960 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.257 -4.113 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.554 -5.025 9.118 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.547 -6.126 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.155 -6.158 7.172 1.00 0.00 H new ATOM 862 N SER A 56 5.812 -5.632 12.255 1.00 0.00 N ATOM 863 CA SER A 56 5.505 -7.016 12.601 1.00 0.00 C ATOM 864 C SER A 56 4.321 -7.532 11.786 1.00 0.00 C ATOM 865 O SER A 56 4.217 -8.728 11.513 1.00 0.00 O ATOM 866 CB SER A 56 5.198 -7.133 14.096 1.00 0.00 C ATOM 867 OG SER A 56 6.378 -7.382 14.840 1.00 0.00 O ATOM 0 H SER A 56 5.841 -4.994 13.050 1.00 0.00 H new ATOM 0 HA SER A 56 6.378 -7.625 12.366 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.730 -6.214 14.448 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.483 -7.939 14.262 1.00 0.00 H new ATOM 0 HG SER A 56 6.156 -7.451 15.792 1.00 0.00 H new ATOM 873 N VAL A 57 3.435 -6.620 11.395 1.00 0.00 N ATOM 874 CA VAL A 57 2.262 -6.981 10.609 1.00 0.00 C ATOM 875 C VAL A 57 2.552 -6.883 9.116 1.00 0.00 C ATOM 876 O VAL A 57 2.518 -7.882 8.399 1.00 0.00 O ATOM 877 CB VAL A 57 1.059 -6.079 10.942 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.202 -6.596 10.269 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.867 -5.983 12.447 1.00 0.00 C ATOM 0 H VAL A 57 3.508 -5.626 11.610 1.00 0.00 H new ATOM 0 HA VAL A 57 2.016 -8.011 10.866 1.00 0.00 H new ATOM 0 HB VAL A 57 1.262 -5.079 10.558 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.040 -5.945 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.059 -6.608 9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.412 -7.607 10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.013 -5.342 12.665 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.687 -6.978 12.855 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.763 -5.561 12.902 1.00 0.00 H new ATOM 889 N TRP A 58 2.837 -5.669 8.655 1.00 0.00 N ATOM 890 CA TRP A 58 3.133 -5.437 7.247 1.00 0.00 C ATOM 891 C TRP A 58 4.608 -5.103 7.047 1.00 0.00 C ATOM 892 O TRP A 58 5.065 -4.019 7.410 1.00 0.00 O ATOM 893 CB TRP A 58 2.261 -4.307 6.703 1.00 0.00 C ATOM 894 CG TRP A 58 0.797 -4.578 6.848 1.00 0.00 C ATOM 895 CD1 TRP A 58 0.022 -4.333 7.946 1.00 0.00 C ATOM 896 CD2 TRP A 58 -0.071 -5.151 5.864 1.00 0.00 C ATOM 897 NE1 TRP A 58 -1.274 -4.720 7.703 1.00 0.00 N ATOM 898 CE2 TRP A 58 -1.356 -5.226 6.432 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.116 -5.610 4.557 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -2.448 -5.739 5.739 1.00 0.00 C ATOM 901 CZ3 TRP A 58 -0.971 -6.118 3.869 1.00 0.00 C ATOM 902 CH2 TRP A 58 -2.238 -6.178 4.462 1.00 0.00 C ATOM 0 H TRP A 58 2.869 -4.832 9.236 1.00 0.00 H new ATOM 0 HA TRP A 58 2.912 -6.353 6.699 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.507 -3.382 7.224 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.494 -4.151 5.650 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.376 -3.899 8.869 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.049 -4.643 8.362 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.091 -5.569 4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.426 -5.788 6.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.840 -6.474 2.858 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.067 -6.580 3.898 1.00 0.00 H new ATOM 913 N HIS A 59 5.350 -6.044 6.470 1.00 0.00 N ATOM 914 CA HIS A 59 6.774 -5.852 6.225 1.00 0.00 C ATOM 915 C HIS A 59 7.108 -6.062 4.749 1.00 0.00 C ATOM 916 O HIS A 59 7.901 -6.937 4.401 1.00 0.00 O ATOM 917 CB HIS A 59 7.595 -6.810 7.090 1.00 0.00 C ATOM 918 CG HIS A 59 7.224 -8.248 6.908 1.00 0.00 C ATOM 919 ND1 HIS A 59 8.098 -9.196 6.416 1.00 0.00 N ATOM 920 CD2 HIS A 59 6.063 -8.903 7.155 1.00 0.00 C ATOM 921 CE1 HIS A 59 7.492 -10.369 6.369 1.00 0.00 C ATOM 922 NE2 HIS A 59 6.258 -10.219 6.811 1.00 0.00 N ATOM 0 H HIS A 59 4.988 -6.947 6.164 1.00 0.00 H new ATOM 0 HA HIS A 59 7.028 -4.826 6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 59 8.652 -6.683 6.855 1.00 0.00 H new ATOM 0 HB3 HIS A 59 7.467 -6.540 8.138 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.155 -8.471 7.549 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.932 -11.294 6.027 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.561 -10.960 6.885 1.00 0.00 H new ATOM 931 N PRO A 60 6.503 -5.259 3.856 1.00 0.00 N ATOM 932 CA PRO A 60 6.742 -5.361 2.414 1.00 0.00 C ATOM 933 C PRO A 60 8.124 -4.856 2.018 1.00 0.00 C ATOM 934 O PRO A 60 8.953 -4.552 2.876 1.00 0.00 O ATOM 935 CB PRO A 60 5.654 -4.470 1.812 1.00 0.00 C ATOM 936 CG PRO A 60 5.352 -3.472 2.876 1.00 0.00 C ATOM 937 CD PRO A 60 5.542 -4.187 4.185 1.00 0.00 C ATOM 0 HA PRO A 60 6.708 -6.394 2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.000 -3.984 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.769 -5.049 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.016 -2.611 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.333 -3.097 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.932 -3.520 4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.603 -4.592 4.561 1.00 0.00 H new ATOM 945 N ALA A 61 8.366 -4.767 0.714 1.00 0.00 N ATOM 946 CA ALA A 61 9.650 -4.296 0.205 1.00 0.00 C ATOM 947 C ALA A 61 9.804 -2.793 0.410 1.00 0.00 C ATOM 948 O ALA A 61 8.828 -2.046 0.344 1.00 0.00 O ATOM 949 CB ALA A 61 9.794 -4.648 -1.267 1.00 0.00 C ATOM 0 H ALA A 61 7.691 -5.015 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 61 10.441 -4.795 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.756 -4.291 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.738 -5.730 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.992 -4.176 -1.834 1.00 0.00 H new ATOM 955 N ARG A 62 11.033 -2.356 0.659 1.00 0.00 N ATOM 956 CA ARG A 62 11.312 -0.941 0.875 1.00 0.00 C ATOM 957 C ARG A 62 10.535 -0.411 2.075 1.00 0.00 C ATOM 958 O ARG A 62 9.311 -0.274 2.024 1.00 0.00 O ATOM 959 CB ARG A 62 10.955 -0.134 -0.376 1.00 0.00 C ATOM 960 CG ARG A 62 11.989 -0.238 -1.485 1.00 0.00 C ATOM 961 CD ARG A 62 11.787 -1.494 -2.321 1.00 0.00 C ATOM 962 NE ARG A 62 11.548 -1.180 -3.728 1.00 0.00 N ATOM 963 CZ ARG A 62 11.693 -2.058 -4.718 1.00 0.00 C ATOM 964 NH1 ARG A 62 12.074 -3.303 -4.461 1.00 0.00 N ATOM 965 NH2 ARG A 62 11.454 -1.690 -5.970 1.00 0.00 N ATOM 0 H ARG A 62 11.852 -2.961 0.716 1.00 0.00 H new ATOM 0 HA ARG A 62 12.377 -0.832 1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.992 -0.476 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.835 0.914 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.926 0.641 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.989 -0.245 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.667 -2.132 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.943 -2.060 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 62 11.253 -0.233 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.258 -3.592 -3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.183 -3.971 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.159 -0.735 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.565 -2.362 -6.729 1.00 0.00 H new ATOM 979 N THR A 63 11.250 -0.111 3.154 1.00 0.00 N ATOM 980 CA THR A 63 10.622 0.403 4.365 1.00 0.00 C ATOM 981 C THR A 63 10.537 1.923 4.328 1.00 0.00 C ATOM 982 O THR A 63 11.277 2.577 3.594 1.00 0.00 O ATOM 983 CB THR A 63 11.400 -0.048 5.602 1.00 0.00 C ATOM 984 OG1 THR A 63 10.929 0.616 6.762 1.00 0.00 O ATOM 985 CG2 THR A 63 12.888 0.206 5.501 1.00 0.00 C ATOM 0 H THR A 63 12.263 -0.215 3.214 1.00 0.00 H new ATOM 0 HA THR A 63 9.610 0.001 4.418 1.00 0.00 H new ATOM 0 HB THR A 63 11.235 -1.123 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.949 0.628 6.757 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.378 -0.138 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.292 -0.335 4.645 1.00 0.00 H new ATOM 0 HG23 THR A 63 13.067 1.274 5.373 1.00 0.00 H new ATOM 993 N VAL A 64 9.616 2.475 5.114 1.00 0.00 N ATOM 994 CA VAL A 64 9.404 3.919 5.171 1.00 0.00 C ATOM 995 C VAL A 64 8.776 4.420 3.875 1.00 0.00 C ATOM 996 O VAL A 64 7.737 5.078 3.895 1.00 0.00 O ATOM 997 CB VAL A 64 10.712 4.683 5.460 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.500 6.187 5.353 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.234 4.315 6.839 1.00 0.00 C ATOM 0 H VAL A 64 9.000 1.939 5.725 1.00 0.00 H new ATOM 0 HA VAL A 64 8.720 4.113 5.997 1.00 0.00 H new ATOM 0 HB VAL A 64 11.452 4.395 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.438 6.702 5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.165 6.436 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.746 6.500 6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.158 4.859 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.491 4.579 7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.428 3.243 6.881 1.00 0.00 H new ATOM 1009 N SER A 65 9.391 4.084 2.748 1.00 0.00 N ATOM 1010 CA SER A 65 8.858 4.479 1.452 1.00 0.00 C ATOM 1011 C SER A 65 7.440 3.946 1.313 1.00 0.00 C ATOM 1012 O SER A 65 6.532 4.649 0.859 1.00 0.00 O ATOM 1013 CB SER A 65 9.740 3.946 0.320 1.00 0.00 C ATOM 1014 OG SER A 65 10.591 4.959 -0.184 1.00 0.00 O ATOM 0 H SER A 65 10.254 3.542 2.706 1.00 0.00 H new ATOM 0 HA SER A 65 8.847 5.567 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.339 3.111 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.112 3.561 -0.484 1.00 0.00 H new ATOM 0 HG SER A 65 11.145 4.592 -0.905 1.00 0.00 H new ATOM 1020 N GLN A 66 7.250 2.703 1.745 1.00 0.00 N ATOM 1021 CA GLN A 66 5.937 2.084 1.705 1.00 0.00 C ATOM 1022 C GLN A 66 4.996 2.848 2.622 1.00 0.00 C ATOM 1023 O GLN A 66 3.830 3.069 2.296 1.00 0.00 O ATOM 1024 CB GLN A 66 6.020 0.617 2.133 1.00 0.00 C ATOM 1025 CG GLN A 66 6.428 -0.322 1.009 1.00 0.00 C ATOM 1026 CD GLN A 66 5.372 -0.426 -0.074 1.00 0.00 C ATOM 1027 OE1 GLN A 66 4.313 -1.019 0.131 1.00 0.00 O ATOM 1028 NE2 GLN A 66 5.657 0.150 -1.235 1.00 0.00 N ATOM 0 H GLN A 66 7.988 2.110 2.125 1.00 0.00 H new ATOM 0 HA GLN A 66 5.557 2.117 0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.736 0.525 2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.051 0.305 2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.362 0.028 0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.621 -1.313 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.548 0.631 -1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.985 0.112 -2.002 1.00 0.00 H new ATOM 1037 N LEU A 67 5.529 3.269 3.767 1.00 0.00 N ATOM 1038 CA LEU A 67 4.760 4.034 4.740 1.00 0.00 C ATOM 1039 C LEU A 67 4.175 5.271 4.082 1.00 0.00 C ATOM 1040 O LEU A 67 2.976 5.530 4.174 1.00 0.00 O ATOM 1041 CB LEU A 67 5.652 4.431 5.922 1.00 0.00 C ATOM 1042 CG LEU A 67 4.925 4.971 7.156 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.207 6.271 6.832 1.00 0.00 C ATOM 1044 CD2 LEU A 67 3.949 3.939 7.702 1.00 0.00 C ATOM 0 H LEU A 67 6.495 3.091 4.042 1.00 0.00 H new ATOM 0 HA LEU A 67 3.943 3.415 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.236 3.560 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.359 5.187 5.581 1.00 0.00 H new ATOM 0 HG LEU A 67 5.669 5.176 7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.697 6.637 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.932 7.013 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.477 6.096 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.444 4.344 8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.211 3.696 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.492 3.036 7.981 1.00 0.00 H new ATOM 1056 N TYR A 68 5.028 6.016 3.396 1.00 0.00 N ATOM 1057 CA TYR A 68 4.596 7.214 2.699 1.00 0.00 C ATOM 1058 C TYR A 68 3.568 6.854 1.633 1.00 0.00 C ATOM 1059 O TYR A 68 2.705 7.659 1.292 1.00 0.00 O ATOM 1060 CB TYR A 68 5.791 7.926 2.062 1.00 0.00 C ATOM 1061 CG TYR A 68 6.924 8.209 3.028 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.699 8.279 4.399 1.00 0.00 C ATOM 1063 CD2 TYR A 68 8.218 8.405 2.566 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.733 8.538 5.279 1.00 0.00 C ATOM 1065 CE2 TYR A 68 9.258 8.664 3.440 1.00 0.00 C ATOM 1066 CZ TYR A 68 9.010 8.729 4.794 1.00 0.00 C ATOM 1067 OH TYR A 68 10.041 8.987 5.667 1.00 0.00 O ATOM 0 H TYR A 68 6.023 5.811 3.308 1.00 0.00 H new ATOM 0 HA TYR A 68 4.137 7.890 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.170 7.316 1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.452 8.867 1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.700 8.129 4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.416 8.354 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.542 8.591 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.259 8.814 3.063 1.00 0.00 H new ATOM 0 HH TYR A 68 10.876 9.095 5.165 1.00 0.00 H new ATOM 1077 N ASP A 69 3.670 5.633 1.112 1.00 0.00 N ATOM 1078 CA ASP A 69 2.748 5.165 0.086 1.00 0.00 C ATOM 1079 C ASP A 69 1.326 5.059 0.622 1.00 0.00 C ATOM 1080 O ASP A 69 0.386 5.563 0.008 1.00 0.00 O ATOM 1081 CB ASP A 69 3.204 3.814 -0.467 1.00 0.00 C ATOM 1082 CG ASP A 69 3.021 3.712 -1.968 1.00 0.00 C ATOM 1083 OD1 ASP A 69 2.027 4.263 -2.484 1.00 0.00 O ATOM 1084 OD2 ASP A 69 3.875 3.082 -2.629 1.00 0.00 O ATOM 0 H ASP A 69 4.380 4.954 1.384 1.00 0.00 H new ATOM 0 HA ASP A 69 2.751 5.898 -0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.254 3.660 -0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.642 3.017 0.020 1.00 0.00 H new ATOM 1089 N HIS A 70 1.166 4.412 1.771 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.163 4.269 2.367 1.00 0.00 C ATOM 1091 C HIS A 70 -0.592 5.583 3.002 1.00 0.00 C ATOM 1092 O HIS A 70 -1.776 5.921 3.023 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.220 3.144 3.416 1.00 0.00 C ATOM 1094 CG HIS A 70 1.001 2.281 3.482 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.952 2.410 4.466 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.415 1.264 2.689 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.901 1.514 4.280 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.600 0.803 3.208 1.00 0.00 N ATOM 0 H HIS A 70 1.924 3.984 2.303 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.848 4.001 1.563 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.385 3.590 4.397 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.082 2.512 3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.908 0.887 1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.776 1.383 4.899 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.156 0.037 2.828 1.00 0.00 H new ATOM 1107 N TRP A 71 0.383 6.323 3.512 1.00 0.00 N ATOM 1108 CA TRP A 71 0.120 7.605 4.143 1.00 0.00 C ATOM 1109 C TRP A 71 -0.183 8.672 3.096 1.00 0.00 C ATOM 1110 O TRP A 71 -0.905 9.631 3.366 1.00 0.00 O ATOM 1111 CB TRP A 71 1.316 8.021 5.002 1.00 0.00 C ATOM 1112 CG TRP A 71 0.931 8.469 6.379 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.088 7.771 7.541 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.324 9.717 6.739 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.617 8.505 8.602 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.144 9.704 8.136 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -0.082 10.843 6.018 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -0.427 10.773 8.823 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -0.649 11.902 6.701 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -0.817 11.861 8.091 1.00 0.00 C ATOM 0 H TRP A 71 1.367 6.054 3.500 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.756 7.503 4.784 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.007 7.182 5.081 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.851 8.828 4.501 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.520 6.784 7.616 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.619 8.207 9.577 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.045 10.885 4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.557 10.744 9.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.968 12.777 6.154 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.263 12.705 8.595 1.00 0.00 H new ATOM 1131 N ARG A 72 0.364 8.496 1.892 1.00 0.00 N ATOM 1132 CA ARG A 72 0.137 9.445 0.809 1.00 0.00 C ATOM 1133 C ARG A 72 -1.225 9.209 0.166 1.00 0.00 C ATOM 1134 O ARG A 72 -1.918 10.153 -0.213 1.00 0.00 O ATOM 1135 CB ARG A 72 1.241 9.328 -0.246 1.00 0.00 C ATOM 1136 CG ARG A 72 1.056 10.266 -1.430 1.00 0.00 C ATOM 1137 CD ARG A 72 0.618 9.515 -2.678 1.00 0.00 C ATOM 1138 NE ARG A 72 1.638 9.549 -3.724 1.00 0.00 N ATOM 1139 CZ ARG A 72 1.832 10.582 -4.539 1.00 0.00 C ATOM 1140 NH1 ARG A 72 1.078 11.671 -4.432 1.00 0.00 N ATOM 1141 NH2 ARG A 72 2.782 10.530 -5.462 1.00 0.00 N ATOM 0 H ARG A 72 0.964 7.708 1.646 1.00 0.00 H new ATOM 0 HA ARG A 72 0.156 10.451 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.203 9.534 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.277 8.301 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.313 11.024 -1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.991 10.790 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.398 8.479 -2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.306 9.951 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 72 2.237 8.731 -3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.347 11.717 -3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.231 12.461 -5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.365 9.697 -5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.930 11.323 -6.087 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.602 7.940 0.052 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.882 7.599 -0.540 1.00 0.00 C ATOM 1157 C GLY A 73 -4.039 7.861 0.403 1.00 0.00 C ATOM 1158 O GLY A 73 -5.153 8.146 -0.036 1.00 0.00 O ATOM 0 H GLY A 73 -1.045 7.143 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.023 8.176 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.879 6.547 -0.825 1.00 0.00 H new ATOM 1162 N THR A 74 -3.771 7.766 1.702 1.00 0.00 N ATOM 1163 CA THR A 74 -4.798 7.997 2.711 1.00 0.00 C ATOM 1164 C THR A 74 -5.048 9.491 2.897 1.00 0.00 C ATOM 1165 O THR A 74 -6.191 9.946 2.875 1.00 0.00 O ATOM 1166 CB THR A 74 -4.385 7.367 4.042 1.00 0.00 C ATOM 1167 OG1 THR A 74 -4.110 5.987 3.880 1.00 0.00 O ATOM 1168 CG2 THR A 74 -5.437 7.503 5.120 1.00 0.00 C ATOM 0 H THR A 74 -2.853 7.531 2.080 1.00 0.00 H new ATOM 0 HA THR A 74 -5.722 7.531 2.369 1.00 0.00 H new ATOM 0 HB THR A 74 -3.495 7.912 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.338 5.875 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.080 7.035 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.635 8.559 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.355 7.013 4.796 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.971 10.247 3.079 1.00 0.00 N ATOM 1177 CA LEU A 75 -4.074 11.689 3.267 1.00 0.00 C ATOM 1178 C LEU A 75 -4.204 12.404 1.926 1.00 0.00 C ATOM 1179 O LEU A 75 -5.215 13.052 1.653 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.851 12.217 4.021 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.972 13.658 4.522 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -3.441 13.683 5.968 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -1.644 14.386 4.377 1.00 0.00 C ATOM 0 H LEU A 75 -3.017 9.885 3.100 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.969 11.889 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.660 11.566 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.982 12.148 3.367 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.714 14.173 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.521 14.716 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.415 13.200 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.723 13.151 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.749 15.409 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.881 13.871 4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.349 14.400 3.328 1.00 0.00 H new ATOM 1195 N ARG A 76 -3.176 12.280 1.094 1.00 0.00 N ATOM 1196 CA ARG A 76 -3.175 12.913 -0.221 1.00 0.00 C ATOM 1197 C ARG A 76 -3.270 14.431 -0.092 1.00 0.00 C ATOM 1198 O ARG A 76 -3.834 15.103 -0.956 1.00 0.00 O ATOM 1199 CB ARG A 76 -4.335 12.382 -1.066 1.00 0.00 C ATOM 1200 CG ARG A 76 -3.888 11.667 -2.331 1.00 0.00 C ATOM 1201 CD ARG A 76 -3.191 12.616 -3.292 1.00 0.00 C ATOM 1202 NE ARG A 76 -4.145 13.414 -4.059 1.00 0.00 N ATOM 1203 CZ ARG A 76 -4.823 12.954 -5.107 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -4.655 11.702 -5.518 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -5.671 13.746 -5.747 1.00 0.00 N ATOM 0 H ARG A 76 -2.332 11.747 1.306 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.236 12.668 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.930 11.697 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.985 13.213 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.213 10.852 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.752 11.220 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.531 13.279 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.564 12.044 -3.976 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.300 14.381 -3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.003 11.088 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.178 11.355 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.804 14.708 -5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.191 13.393 -6.551 1.00 0.00 H new ATOM 1219 N TYR A 77 -2.711 14.965 0.990 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.732 16.402 1.231 1.00 0.00 C ATOM 1221 C TYR A 77 -1.359 16.899 1.673 1.00 0.00 C ATOM 1222 O TYR A 77 -1.094 17.037 2.868 1.00 0.00 O ATOM 1223 CB TYR A 77 -3.780 16.748 2.292 1.00 0.00 C ATOM 1224 CG TYR A 77 -5.097 17.216 1.713 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -6.053 16.304 1.286 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -5.381 18.571 1.595 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -7.257 16.729 0.756 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -6.583 19.003 1.066 1.00 0.00 C ATOM 1229 CZ TYR A 77 -7.516 18.079 0.649 1.00 0.00 C ATOM 1230 OH TYR A 77 -8.715 18.506 0.122 1.00 0.00 O ATOM 0 H TYR A 77 -2.238 14.423 1.713 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.995 16.898 0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.958 15.871 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.382 17.526 2.943 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.853 15.246 1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.652 19.298 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.991 16.008 0.428 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.790 20.060 0.980 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.740 19.486 0.118 1.00 0.00 H new ATOM 1240 N LYS A 78 -0.491 17.166 0.704 1.00 0.00 N ATOM 1241 CA LYS A 78 0.855 17.648 0.994 1.00 0.00 C ATOM 1242 C LYS A 78 0.810 19.028 1.643 1.00 0.00 C ATOM 1243 O LYS A 78 1.277 19.212 2.766 1.00 0.00 O ATOM 1244 CB LYS A 78 1.689 17.699 -0.288 1.00 0.00 C ATOM 1245 CG LYS A 78 3.132 17.263 -0.092 1.00 0.00 C ATOM 1246 CD LYS A 78 4.051 17.895 -1.126 1.00 0.00 C ATOM 1247 CE LYS A 78 3.901 17.232 -2.487 1.00 0.00 C ATOM 1248 NZ LYS A 78 3.500 18.207 -3.538 1.00 0.00 N ATOM 0 H LYS A 78 -0.695 17.057 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 78 1.321 16.953 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.224 17.061 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.675 18.716 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.464 17.540 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.198 16.177 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.827 18.958 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.086 17.813 -0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.844 16.762 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.156 16.439 -2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.408 17.716 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.588 18.637 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.223 18.950 -3.616 1.00 0.00 H new ATOM 1262 N VAL A 79 0.245 19.994 0.927 1.00 0.00 N ATOM 1263 CA VAL A 79 0.138 21.358 1.432 1.00 0.00 C ATOM 1264 C VAL A 79 1.514 21.940 1.738 1.00 0.00 C ATOM 1265 O VAL A 79 2.139 21.588 2.738 1.00 0.00 O ATOM 1266 CB VAL A 79 -0.726 21.420 2.705 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -0.992 22.863 3.101 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -2.032 20.666 2.501 1.00 0.00 C ATOM 0 H VAL A 79 -0.146 19.858 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.338 21.948 0.649 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.179 20.940 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.604 22.886 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.045 23.368 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.518 23.371 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.630 20.721 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.586 21.114 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.817 19.623 2.270 1.00 0.00 H new ATOM 1278 N ILE A 80 1.978 22.833 0.871 1.00 0.00 N ATOM 1279 CA ILE A 80 3.281 23.465 1.049 1.00 0.00 C ATOM 1280 C ILE A 80 3.410 24.710 0.176 1.00 0.00 C ATOM 1281 O ILE A 80 3.887 25.751 0.628 1.00 0.00 O ATOM 1282 CB ILE A 80 4.430 22.490 0.716 1.00 0.00 C ATOM 1283 CG1 ILE A 80 5.785 23.139 1.010 1.00 0.00 C ATOM 1284 CG2 ILE A 80 4.349 22.048 -0.737 1.00 0.00 C ATOM 1285 CD1 ILE A 80 6.747 22.223 1.737 1.00 0.00 C ATOM 0 H ILE A 80 1.472 23.136 0.039 1.00 0.00 H new ATOM 0 HA ILE A 80 3.355 23.752 2.098 1.00 0.00 H new ATOM 0 HB ILE A 80 4.329 21.607 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.238 23.458 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.627 24.036 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.167 21.361 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.397 21.546 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.425 22.920 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.686 22.747 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.314 21.924 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.934 21.337 1.131 1.00 0.00 H new ATOM 1297 N GLN A 81 2.984 24.595 -1.078 1.00 0.00 N ATOM 1298 CA GLN A 81 3.051 25.712 -2.013 1.00 0.00 C ATOM 1299 C GLN A 81 1.826 26.612 -1.873 1.00 0.00 C ATOM 1300 O GLN A 81 0.719 26.136 -1.621 1.00 0.00 O ATOM 1301 CB GLN A 81 3.161 25.194 -3.450 1.00 0.00 C ATOM 1302 CG GLN A 81 4.525 25.433 -4.077 1.00 0.00 C ATOM 1303 CD GLN A 81 5.319 24.152 -4.253 1.00 0.00 C ATOM 1304 OE1 GLN A 81 5.615 23.454 -3.283 1.00 0.00 O ATOM 1305 NE2 GLN A 81 5.670 23.839 -5.495 1.00 0.00 N ATOM 0 H GLN A 81 2.589 23.740 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 81 3.938 26.300 -1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.947 24.125 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.399 25.677 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.396 25.912 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.091 26.124 -3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.403 24.447 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.207 22.990 -5.675 1.00 0.00 H new ATOM 1314 N GLN A 82 2.034 27.914 -2.038 1.00 0.00 N ATOM 1315 CA GLN A 82 0.947 28.880 -1.930 1.00 0.00 C ATOM 1316 C GLN A 82 0.321 28.840 -0.540 1.00 0.00 C ATOM 1317 O GLN A 82 -0.338 27.867 -0.172 1.00 0.00 O ATOM 1318 CB GLN A 82 -0.119 28.602 -2.991 1.00 0.00 C ATOM 1319 CG GLN A 82 -1.232 29.637 -3.022 1.00 0.00 C ATOM 1320 CD GLN A 82 -2.561 29.081 -2.546 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -3.108 29.526 -1.537 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -3.086 28.101 -3.274 1.00 0.00 N ATOM 0 H GLN A 82 2.944 28.324 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 82 1.361 29.875 -2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.357 28.563 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.553 27.619 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.952 30.485 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.344 30.014 -4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.597 27.764 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.978 27.686 -3.004 1.00 0.00 H new ATOM 1331 N GLN A 83 0.531 29.903 0.229 1.00 0.00 N ATOM 1332 CA GLN A 83 -0.012 29.988 1.581 1.00 0.00 C ATOM 1333 C GLN A 83 -1.538 29.994 1.555 1.00 0.00 C ATOM 1334 O GLN A 83 -2.179 29.100 2.105 1.00 0.00 O ATOM 1335 CB GLN A 83 0.503 31.247 2.282 1.00 0.00 C ATOM 1336 CG GLN A 83 0.298 31.233 3.787 1.00 0.00 C ATOM 1337 CD GLN A 83 0.549 32.586 4.424 1.00 0.00 C ATOM 1338 OE1 GLN A 83 1.159 33.467 3.816 1.00 0.00 O ATOM 1339 NE2 GLN A 83 0.077 32.759 5.653 1.00 0.00 N ATOM 0 H GLN A 83 1.073 30.717 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 83 0.321 29.110 2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.566 31.362 2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.001 32.118 1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.721 30.915 4.008 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.965 30.496 4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.423 32.001 6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.214 33.649 6.131 1.00 0.00 H new ATOM 1348 N GLY A 84 -2.109 31.008 0.914 1.00 0.00 N ATOM 1349 CA GLY A 84 -3.554 31.112 0.831 1.00 0.00 C ATOM 1350 C GLY A 84 -4.177 31.590 2.126 1.00 0.00 C ATOM 1351 O GLY A 84 -3.623 31.381 3.204 1.00 0.00 O ATOM 0 H GLY A 84 -1.598 31.759 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.820 31.800 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.970 30.139 0.569 1.00 0.00 H new ATOM 1355 N TYR A 85 -5.335 32.236 2.020 1.00 0.00 N ATOM 1356 CA TYR A 85 -6.035 32.746 3.193 1.00 0.00 C ATOM 1357 C TYR A 85 -7.362 32.021 3.394 1.00 0.00 C ATOM 1358 O TYR A 85 -7.836 31.316 2.504 1.00 0.00 O ATOM 1359 CB TYR A 85 -6.276 34.251 3.053 1.00 0.00 C ATOM 1360 CG TYR A 85 -5.880 35.045 4.278 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -6.768 35.219 5.332 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -4.619 35.618 4.379 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -6.409 35.943 6.454 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -4.253 36.343 5.498 1.00 0.00 C ATOM 1365 CZ TYR A 85 -5.151 36.503 6.532 1.00 0.00 C ATOM 1366 OH TYR A 85 -4.790 37.224 7.646 1.00 0.00 O ATOM 0 H TYR A 85 -5.807 32.418 1.134 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.409 32.565 4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.717 34.622 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -7.332 34.423 2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.754 34.782 5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.913 35.495 3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.110 36.069 7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.268 36.782 5.562 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.871 37.549 7.542 1.00 0.00 H new ATOM 1376 N ARG A 86 -7.956 32.199 4.570 1.00 0.00 N ATOM 1377 CA ARG A 86 -9.228 31.562 4.888 1.00 0.00 C ATOM 1378 C ARG A 86 -10.019 32.397 5.892 1.00 0.00 C ATOM 1379 O ARG A 86 -10.275 31.960 7.014 1.00 0.00 O ATOM 1380 CB ARG A 86 -8.993 30.156 5.445 1.00 0.00 C ATOM 1381 CG ARG A 86 -8.872 29.089 4.371 1.00 0.00 C ATOM 1382 CD ARG A 86 -9.205 27.708 4.913 1.00 0.00 C ATOM 1383 NE ARG A 86 -8.232 26.704 4.490 1.00 0.00 N ATOM 1384 CZ ARG A 86 -8.077 25.524 5.088 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -8.829 25.197 6.131 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -7.169 24.668 4.639 1.00 0.00 N ATOM 0 H ARG A 86 -7.576 32.779 5.318 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.809 31.487 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.084 30.160 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.815 29.897 6.112 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.541 29.327 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.858 29.088 3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.238 27.744 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.199 27.415 4.574 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.637 26.919 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.530 25.851 6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.706 24.292 6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.590 24.913 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.050 23.764 5.097 1.00 0.00 H new ATOM 1400 N GLY A 87 -10.401 33.602 5.479 1.00 0.00 N ATOM 1401 CA GLY A 87 -11.157 34.479 6.353 1.00 0.00 C ATOM 1402 C GLY A 87 -12.599 34.037 6.512 1.00 0.00 C ATOM 1403 O GLY A 87 -13.418 34.239 5.615 1.00 0.00 O ATOM 0 H GLY A 87 -10.200 33.986 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.680 34.510 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.133 35.493 5.954 1.00 0.00 H new ATOM 1407 N LYS A 88 -12.910 33.434 7.655 1.00 0.00 N ATOM 1408 CA LYS A 88 -14.262 32.963 7.928 1.00 0.00 C ATOM 1409 C LYS A 88 -14.875 33.721 9.101 1.00 0.00 C ATOM 1410 O LYS A 88 -14.645 33.381 10.260 1.00 0.00 O ATOM 1411 CB LYS A 88 -14.251 31.463 8.226 1.00 0.00 C ATOM 1412 CG LYS A 88 -15.586 30.781 7.972 1.00 0.00 C ATOM 1413 CD LYS A 88 -15.906 29.758 9.050 1.00 0.00 C ATOM 1414 CE LYS A 88 -17.045 28.843 8.631 1.00 0.00 C ATOM 1415 NZ LYS A 88 -18.036 28.653 9.726 1.00 0.00 N ATOM 0 H LYS A 88 -12.243 33.260 8.407 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.870 33.146 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.486 30.985 7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.967 31.310 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.377 31.530 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.565 30.291 6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.018 29.162 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.172 30.272 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.545 29.262 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.642 27.875 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.797 28.023 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.565 28.230 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.440 29.574 9.993 1.00 0.00 H new ATOM 1429 N ASN A 89 -15.658 34.749 8.790 1.00 0.00 N ATOM 1430 CA ASN A 89 -16.305 35.556 9.818 1.00 0.00 C ATOM 1431 C ASN A 89 -17.788 35.740 9.511 1.00 0.00 C ATOM 1432 O ASN A 89 -18.199 36.775 8.989 1.00 0.00 O ATOM 1433 CB ASN A 89 -15.622 36.920 9.929 1.00 0.00 C ATOM 1434 CG ASN A 89 -15.788 37.539 11.304 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -14.825 37.669 12.060 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -17.016 37.924 11.634 1.00 0.00 N ATOM 0 H ASN A 89 -15.860 35.043 7.834 1.00 0.00 H new ATOM 0 HA ASN A 89 -16.212 35.032 10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -14.560 36.811 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -16.036 37.593 9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -17.190 38.347 12.546 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.785 37.797 10.976 1.00 0.00 H new ATOM 1443 N SER A 90 -18.584 34.728 9.840 1.00 0.00 N ATOM 1444 CA SER A 90 -20.023 34.779 9.601 1.00 0.00 C ATOM 1445 C SER A 90 -20.796 34.328 10.836 1.00 0.00 C ATOM 1446 O SER A 90 -20.204 33.971 11.855 1.00 0.00 O ATOM 1447 CB SER A 90 -20.391 33.901 8.403 1.00 0.00 C ATOM 1448 OG SER A 90 -21.563 34.377 7.765 1.00 0.00 O ATOM 0 H SER A 90 -18.258 33.863 10.272 1.00 0.00 H new ATOM 0 HA SER A 90 -20.295 35.812 9.383 1.00 0.00 H new ATOM 0 HB2 SER A 90 -19.566 33.887 7.691 1.00 0.00 H new ATOM 0 HB3 SER A 90 -20.545 32.874 8.734 1.00 0.00 H new ATOM 0 HG SER A 90 -21.777 33.801 7.002 1.00 0.00 H new ATOM 1454 N VAL A 91 -22.121 34.346 10.737 1.00 0.00 N ATOM 1455 CA VAL A 91 -22.976 33.938 11.847 1.00 0.00 C ATOM 1456 C VAL A 91 -23.210 32.430 11.834 1.00 0.00 C ATOM 1457 O VAL A 91 -23.163 31.793 10.781 1.00 0.00 O ATOM 1458 CB VAL A 91 -24.336 34.664 11.803 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -25.087 34.325 10.526 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -25.167 34.315 13.029 1.00 0.00 C ATOM 0 H VAL A 91 -22.626 34.638 9.901 1.00 0.00 H new ATOM 0 HA VAL A 91 -22.458 34.212 12.766 1.00 0.00 H new ATOM 0 HB VAL A 91 -24.152 35.738 11.810 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -26.043 34.848 10.516 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -24.496 34.633 9.664 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -25.261 33.250 10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -26.123 34.836 12.981 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -25.341 33.239 13.056 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -24.633 34.619 13.929 1.00 0.00 H new ATOM 1470 N ALA A 92 -23.463 31.867 13.011 1.00 0.00 N ATOM 1471 CA ALA A 92 -23.705 30.435 13.137 1.00 0.00 C ATOM 1472 C ALA A 92 -22.494 29.631 12.681 1.00 0.00 C ATOM 1473 O ALA A 92 -22.130 29.647 11.505 1.00 0.00 O ATOM 1474 CB ALA A 92 -24.937 30.036 12.337 1.00 0.00 C ATOM 0 H ALA A 92 -23.506 32.381 13.891 1.00 0.00 H new ATOM 0 HA ALA A 92 -23.880 30.213 14.190 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -25.106 28.964 12.440 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -25.805 30.578 12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -24.783 30.280 11.286 1.00 0.00 H new ATOM 1480 N ALA A 93 -21.870 28.927 13.621 1.00 0.00 N ATOM 1481 CA ALA A 93 -20.698 28.115 13.315 1.00 0.00 C ATOM 1482 C ALA A 93 -21.070 26.643 13.181 1.00 0.00 C ATOM 1483 O ALA A 93 -21.762 26.087 14.036 1.00 0.00 O ATOM 1484 CB ALA A 93 -19.635 28.298 14.387 1.00 0.00 C ATOM 0 H ALA A 93 -22.156 28.903 14.600 1.00 0.00 H new ATOM 0 HA ALA A 93 -20.295 28.449 12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -18.766 27.686 14.146 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -19.340 29.346 14.431 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -20.037 27.993 15.353 1.00 0.00 H new ATOM 1490 N ARG A 94 -20.607 26.015 12.106 1.00 0.00 N ATOM 1491 CA ARG A 94 -20.891 24.606 11.861 1.00 0.00 C ATOM 1492 C ARG A 94 -19.659 23.887 11.322 1.00 0.00 C ATOM 1493 O ARG A 94 -19.313 22.799 11.781 1.00 0.00 O ATOM 1494 CB ARG A 94 -22.054 24.460 10.875 1.00 0.00 C ATOM 1495 CG ARG A 94 -21.958 25.390 9.675 1.00 0.00 C ATOM 1496 CD ARG A 94 -21.652 24.624 8.398 1.00 0.00 C ATOM 1497 NE ARG A 94 -21.392 25.519 7.273 1.00 0.00 N ATOM 1498 CZ ARG A 94 -21.176 25.101 6.027 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -21.188 23.805 5.742 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -20.947 25.982 5.063 1.00 0.00 N ATOM 0 H ARG A 94 -20.033 26.460 11.390 1.00 0.00 H new ATOM 0 HA ARG A 94 -21.170 24.149 12.810 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -22.093 23.429 10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -22.990 24.653 11.399 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -22.896 25.933 9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -21.179 26.132 9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -20.786 23.982 8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -22.491 23.972 8.156 1.00 0.00 H new ATOM 0 HE ARG A 94 -21.375 26.523 7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.363 23.122 6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.022 23.492 4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -20.936 26.980 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.782 25.662 4.109 1.00 0.00 H new ATOM 1514 N SER A 95 -19.000 24.502 10.345 1.00 0.00 N ATOM 1515 CA SER A 95 -17.806 23.920 9.743 1.00 0.00 C ATOM 1516 C SER A 95 -16.646 23.907 10.737 1.00 0.00 C ATOM 1517 O SER A 95 -16.647 24.656 11.713 1.00 0.00 O ATOM 1518 CB SER A 95 -17.409 24.701 8.489 1.00 0.00 C ATOM 1519 OG SER A 95 -16.991 23.826 7.455 1.00 0.00 O ATOM 0 H SER A 95 -19.273 25.403 9.953 1.00 0.00 H new ATOM 0 HA SER A 95 -18.034 22.891 9.465 1.00 0.00 H new ATOM 0 HB2 SER A 95 -18.254 25.298 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 95 -16.605 25.396 8.729 1.00 0.00 H new ATOM 0 HG SER A 95 -16.744 24.349 6.664 1.00 0.00 H new ATOM 1525 N PRO A 96 -15.637 23.051 10.499 1.00 0.00 N ATOM 1526 CA PRO A 96 -14.468 22.945 11.377 1.00 0.00 C ATOM 1527 C PRO A 96 -13.814 24.297 11.639 1.00 0.00 C ATOM 1528 O PRO A 96 -14.000 25.246 10.878 1.00 0.00 O ATOM 1529 CB PRO A 96 -13.517 22.035 10.597 1.00 0.00 C ATOM 1530 CG PRO A 96 -14.405 21.226 9.716 1.00 0.00 C ATOM 1531 CD PRO A 96 -15.558 22.123 9.356 1.00 0.00 C ATOM 0 HA PRO A 96 -14.734 22.562 12.362 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.803 22.616 10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.939 21.399 11.267 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.874 20.896 8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.753 20.330 10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -15.379 22.652 8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -16.482 21.559 9.231 1.00 0.00 H new ATOM 1539 N GLU A 97 -13.046 24.377 12.722 1.00 0.00 N ATOM 1540 CA GLU A 97 -12.364 25.613 13.085 1.00 0.00 C ATOM 1541 C GLU A 97 -11.193 25.334 14.023 1.00 0.00 C ATOM 1542 O GLU A 97 -10.099 25.867 13.842 1.00 0.00 O ATOM 1543 CB GLU A 97 -13.342 26.585 13.748 1.00 0.00 C ATOM 1544 CG GLU A 97 -14.183 25.949 14.842 1.00 0.00 C ATOM 1545 CD GLU A 97 -13.705 26.319 16.234 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -12.477 26.401 16.438 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -14.563 26.526 17.119 1.00 0.00 O ATOM 0 H GLU A 97 -12.881 23.600 13.362 1.00 0.00 H new ATOM 0 HA GLU A 97 -11.976 26.065 12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.782 27.419 14.170 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -14.003 26.998 12.986 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -15.221 26.259 14.724 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -14.159 24.865 14.730 1.00 0.00 H new ATOM 1554 N LYS A 98 -11.431 24.494 15.024 1.00 0.00 N ATOM 1555 CA LYS A 98 -10.396 24.143 15.991 1.00 0.00 C ATOM 1556 C LYS A 98 -9.444 23.100 15.415 1.00 0.00 C ATOM 1557 O LYS A 98 -8.232 23.175 15.615 1.00 0.00 O ATOM 1558 CB LYS A 98 -11.032 23.616 17.279 1.00 0.00 C ATOM 1559 CG LYS A 98 -10.040 23.439 18.418 1.00 0.00 C ATOM 1560 CD LYS A 98 -10.181 24.540 19.457 1.00 0.00 C ATOM 1561 CE LYS A 98 -9.094 24.448 20.516 1.00 0.00 C ATOM 1562 NZ LYS A 98 -7.806 25.024 20.041 1.00 0.00 N ATOM 0 H LYS A 98 -12.331 24.043 15.188 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.824 25.043 16.218 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.817 24.303 17.595 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.511 22.659 17.073 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.197 22.469 18.891 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.025 23.440 18.021 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.132 25.513 18.967 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.160 24.471 19.932 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.417 24.974 21.415 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.945 23.404 20.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.091 24.942 20.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.484 24.506 19.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.942 26.027 19.800 1.00 0.00 H new ATOM 1576 N ALA A 99 -10.000 22.128 14.699 1.00 0.00 N ATOM 1577 CA ALA A 99 -9.201 21.071 14.094 1.00 0.00 C ATOM 1578 C ALA A 99 -8.271 21.629 13.023 1.00 0.00 C ATOM 1579 O ALA A 99 -8.724 22.126 11.992 1.00 0.00 O ATOM 1580 CB ALA A 99 -10.103 19.998 13.505 1.00 0.00 C ATOM 0 H ALA A 99 -11.002 22.051 14.524 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.586 20.624 14.875 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.492 19.215 13.056 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.721 19.569 14.294 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.744 20.440 12.742 1.00 0.00 H new ATOM 1586 N SER A 100 -6.969 21.545 13.274 1.00 0.00 N ATOM 1587 CA SER A 100 -5.975 22.043 12.330 1.00 0.00 C ATOM 1588 C SER A 100 -4.657 21.288 12.478 1.00 0.00 C ATOM 1589 O SER A 100 -4.373 20.715 13.531 1.00 0.00 O ATOM 1590 CB SER A 100 -5.744 23.540 12.542 1.00 0.00 C ATOM 1591 OG SER A 100 -6.976 24.232 12.666 1.00 0.00 O ATOM 0 H SER A 100 -6.577 21.137 14.123 1.00 0.00 H new ATOM 0 HA SER A 100 -6.355 21.880 11.322 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.144 23.696 13.438 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.177 23.946 11.704 1.00 0.00 H new ATOM 0 HG SER A 100 -6.807 25.152 12.959 1.00 0.00 H new ATOM 1597 N ASN A 101 -3.856 21.293 11.419 1.00 0.00 N ATOM 1598 CA ASN A 101 -2.568 20.609 11.430 1.00 0.00 C ATOM 1599 C ASN A 101 -1.431 21.596 11.683 1.00 0.00 C ATOM 1600 O ASN A 101 -0.348 21.469 11.109 1.00 0.00 O ATOM 1601 CB ASN A 101 -2.343 19.879 10.104 1.00 0.00 C ATOM 1602 CG ASN A 101 -1.712 18.514 10.296 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -1.673 17.985 11.407 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -1.213 17.935 9.210 1.00 0.00 N ATOM 0 H ASN A 101 -4.076 21.763 10.541 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.578 19.879 12.240 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.297 19.766 9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.703 20.485 9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.776 17.016 9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.267 18.409 8.309 1.00 0.00 H new ATOM 1611 N MET A 102 -1.683 22.576 12.543 1.00 0.00 N ATOM 1612 CA MET A 102 -0.681 23.584 12.869 1.00 0.00 C ATOM 1613 C MET A 102 -0.490 23.693 14.379 1.00 0.00 C ATOM 1614 O MET A 102 -1.352 23.281 15.156 1.00 0.00 O ATOM 1615 CB MET A 102 -1.089 24.942 12.295 1.00 0.00 C ATOM 1616 CG MET A 102 -2.535 25.313 12.578 1.00 0.00 C ATOM 1617 SD MET A 102 -2.931 27.000 12.079 1.00 0.00 S ATOM 1618 CE MET A 102 -4.402 27.306 13.053 1.00 0.00 C ATOM 0 H MET A 102 -2.573 22.694 13.027 1.00 0.00 H new ATOM 0 HA MET A 102 0.265 23.278 12.423 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.438 25.712 12.708 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.929 24.934 11.217 1.00 0.00 H new ATOM 0 HG2 MET A 102 -3.193 24.620 12.054 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.734 25.198 13.644 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.768 28.313 12.853 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.172 26.581 12.787 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.164 27.210 14.112 1.00 0.00 H new ATOM 1628 N GLU A 103 0.645 24.251 14.786 1.00 0.00 N ATOM 1629 CA GLU A 103 0.949 24.416 16.202 1.00 0.00 C ATOM 1630 C GLU A 103 2.174 25.308 16.396 1.00 0.00 C ATOM 1631 O GLU A 103 2.128 26.290 17.137 1.00 0.00 O ATOM 1632 CB GLU A 103 1.188 23.053 16.857 1.00 0.00 C ATOM 1633 CG GLU A 103 -0.041 22.492 17.556 1.00 0.00 C ATOM 1634 CD GLU A 103 0.231 22.105 18.996 1.00 0.00 C ATOM 1635 OE1 GLU A 103 1.387 21.744 19.304 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -0.709 22.162 19.815 1.00 0.00 O ATOM 0 H GLU A 103 1.369 24.596 14.156 1.00 0.00 H new ATOM 0 HA GLU A 103 0.093 24.895 16.678 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.518 22.346 16.096 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.998 23.143 17.581 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.840 23.233 17.528 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.397 21.618 17.010 1.00 0.00 H new ATOM 1643 N ASN A 104 3.266 24.958 15.723 1.00 0.00 N ATOM 1644 CA ASN A 104 4.502 25.726 15.821 1.00 0.00 C ATOM 1645 C ASN A 104 5.067 26.025 14.437 1.00 0.00 C ATOM 1646 O ASN A 104 4.674 25.407 13.446 1.00 0.00 O ATOM 1647 CB ASN A 104 5.535 24.966 16.654 1.00 0.00 C ATOM 1648 CG ASN A 104 5.253 25.050 18.141 1.00 0.00 C ATOM 1649 OD1 ASN A 104 4.155 24.727 18.594 1.00 0.00 O ATOM 1650 ND2 ASN A 104 6.246 25.482 18.909 1.00 0.00 N ATOM 0 H ASN A 104 3.320 24.149 15.105 1.00 0.00 H new ATOM 0 HA ASN A 104 4.275 26.672 16.313 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.546 23.920 16.348 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.528 25.368 16.452 1.00 0.00 H new ATOM 0 HD21 ASN A 104 6.115 25.557 19.918 1.00 0.00 H new ATOM 0 HD22 ASN A 104 7.140 25.739 18.490 1.00 0.00 H new ATOM 1657 N ASN A 105 5.993 26.977 14.374 1.00 0.00 N ATOM 1658 CA ASN A 105 6.614 27.357 13.111 1.00 0.00 C ATOM 1659 C ASN A 105 7.718 26.377 12.730 1.00 0.00 C ATOM 1660 O ASN A 105 8.645 26.139 13.504 1.00 0.00 O ATOM 1661 CB ASN A 105 7.184 28.774 13.205 1.00 0.00 C ATOM 1662 CG ASN A 105 6.128 29.801 13.563 1.00 0.00 C ATOM 1663 OD1 ASN A 105 4.937 29.586 13.337 1.00 0.00 O ATOM 1664 ND2 ASN A 105 6.559 30.924 14.123 1.00 0.00 N ATOM 0 H ASN A 105 6.329 27.499 15.183 1.00 0.00 H new ATOM 0 HA ASN A 105 5.848 27.331 12.336 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.976 28.795 13.954 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.640 29.043 12.252 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.894 31.651 14.385 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.556 31.060 14.292 1.00 0.00 H new ATOM 1671 N GLU A 106 7.612 25.809 11.533 1.00 0.00 N ATOM 1672 CA GLU A 106 8.603 24.853 11.050 1.00 0.00 C ATOM 1673 C GLU A 106 9.089 25.233 9.655 1.00 0.00 C ATOM 1674 O GLU A 106 8.543 26.198 9.080 1.00 0.00 O ATOM 1675 CB GLU A 106 8.012 23.443 11.032 1.00 0.00 C ATOM 1676 CG GLU A 106 7.807 22.850 12.416 1.00 0.00 C ATOM 1677 CD GLU A 106 6.504 22.085 12.536 1.00 0.00 C ATOM 1678 OE1 GLU A 106 6.087 21.462 11.536 1.00 0.00 O ATOM 1679 OE2 GLU A 106 5.900 22.108 13.627 1.00 0.00 O ATOM 1680 OXT GLU A 106 10.014 24.562 9.148 1.00 0.00 O ATOM 0 H GLU A 106 6.851 25.994 10.880 1.00 0.00 H new ATOM 0 HA GLU A 106 9.455 24.873 11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.055 23.466 10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 106 8.671 22.790 10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.638 22.184 12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.824 23.650 13.156 1.00 0.00 H new TER 1687 GLU A 106