USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 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 26 TYR OH : rot 20:sc= 0.453 USER MOD Set 1.2: A 49 SER OG : rot 72:sc= 1.63 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -126:sc= 1.27 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0.984 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.11 (180deg=1.05) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -4:sc= 1.18 USER MOD Single : A 18 ASN : amide:sc= -0.575! C(o=-0.58!,f=-11!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.666 K(o=0.67,f=-6.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 105:sc= 1.28 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.21) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.053) USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= -0.113 (180deg=-0.122) USER MOD Single : A 64 TYR OH : rot -28:sc= 0.744 USER MOD Single : A 66 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.34) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -2.293 -13.154 -5.940 1.00 0.00 N ATOM 12 CA VAL A 2 -2.934 -12.030 -6.611 1.00 0.00 C ATOM 13 C VAL A 2 -2.364 -11.823 -8.007 1.00 0.00 C ATOM 14 O VAL A 2 -1.270 -12.297 -8.318 1.00 0.00 O ATOM 15 CB VAL A 2 -2.749 -10.741 -5.787 1.00 0.00 C ATOM 16 CG1 VAL A 2 -3.404 -10.882 -4.421 1.00 0.00 C ATOM 17 CG2 VAL A 2 -1.268 -10.426 -5.644 1.00 0.00 C ATOM 0 HA VAL A 2 -3.996 -12.259 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.233 -9.916 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.263 -9.962 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.470 -11.071 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.949 -11.714 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.145 -9.514 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.768 -11.251 -5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.829 -10.287 -6.632 1.00 0.00 H new ATOM 27 N LYS A 3 -3.109 -11.113 -8.847 1.00 0.00 N ATOM 28 CA LYS A 3 -2.649 -10.787 -10.192 1.00 0.00 C ATOM 29 C LYS A 3 -1.533 -9.751 -10.156 1.00 0.00 C ATOM 30 O LYS A 3 -0.407 -10.024 -10.570 1.00 0.00 O ATOM 31 CB LYS A 3 -3.811 -10.279 -11.047 1.00 0.00 C ATOM 32 CG LYS A 3 -3.425 -9.891 -12.467 1.00 0.00 C ATOM 33 CD LYS A 3 -4.642 -9.462 -13.273 1.00 0.00 C ATOM 34 CE LYS A 3 -4.245 -8.983 -14.662 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.428 -8.577 -15.469 1.00 0.00 N ATOM 0 H LYS A 3 -4.035 -10.752 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.253 -11.699 -10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.579 -11.052 -11.091 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.257 -9.414 -10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.699 -9.078 -12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.940 -10.735 -12.958 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.337 -10.297 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.166 -8.664 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.560 -8.140 -14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.708 -9.777 -15.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.109 -8.132 -16.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.001 -9.416 -15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.001 -7.899 -14.928 1.00 0.00 H new ATOM 49 N GLU A 4 -1.853 -8.561 -9.660 1.00 0.00 N ATOM 50 CA GLU A 4 -0.871 -7.489 -9.547 1.00 0.00 C ATOM 51 C GLU A 4 -0.274 -7.434 -8.147 1.00 0.00 C ATOM 52 O GLU A 4 -0.967 -7.668 -7.157 1.00 0.00 O ATOM 53 CB GLU A 4 -1.509 -6.142 -9.893 1.00 0.00 C ATOM 54 CG GLU A 4 -2.057 -6.051 -11.310 1.00 0.00 C ATOM 55 CD GLU A 4 -0.977 -6.059 -12.356 1.00 0.00 C ATOM 56 OE1 GLU A 4 0.094 -5.572 -12.081 1.00 0.00 O ATOM 57 OE2 GLU A 4 -1.222 -6.552 -13.432 1.00 0.00 O ATOM 0 H GLU A 4 -2.786 -8.314 -9.329 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.068 -7.697 -10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.319 -5.946 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.767 -5.356 -9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.734 -6.887 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.645 -5.139 -11.409 1.00 0.00 H new ATOM 64 N THR A 5 1.015 -7.123 -8.070 1.00 0.00 N ATOM 65 CA THR A 5 1.725 -7.107 -6.797 1.00 0.00 C ATOM 66 C THR A 5 2.328 -5.736 -6.519 1.00 0.00 C ATOM 67 O THR A 5 3.018 -5.542 -5.518 1.00 0.00 O ATOM 68 CB THR A 5 2.835 -8.175 -6.767 1.00 0.00 C ATOM 69 OG1 THR A 5 3.779 -7.915 -7.813 1.00 0.00 O ATOM 70 CG2 THR A 5 2.244 -9.563 -6.957 1.00 0.00 C ATOM 0 H THR A 5 1.590 -6.878 -8.876 1.00 0.00 H new ATOM 0 HA THR A 5 0.996 -7.334 -6.019 1.00 0.00 H new ATOM 0 HB THR A 5 3.334 -8.133 -5.799 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.486 -8.594 -7.792 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.042 -10.305 -6.933 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.533 -9.769 -6.156 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.732 -9.612 -7.918 1.00 0.00 H new ATOM 78 N LYS A 6 2.062 -4.787 -7.409 1.00 0.00 N ATOM 79 CA LYS A 6 2.686 -3.471 -7.338 1.00 0.00 C ATOM 80 C LYS A 6 2.412 -2.805 -5.996 1.00 0.00 C ATOM 81 O LYS A 6 3.333 -2.343 -5.322 1.00 0.00 O ATOM 82 CB LYS A 6 2.190 -2.580 -8.477 1.00 0.00 C ATOM 83 CG LYS A 6 2.794 -1.182 -8.491 1.00 0.00 C ATOM 84 CD LYS A 6 2.302 -0.378 -9.685 1.00 0.00 C ATOM 85 CE LYS A 6 2.866 1.035 -9.673 1.00 0.00 C ATOM 86 NZ LYS A 6 2.420 1.822 -10.855 1.00 0.00 N ATOM 0 H LYS A 6 1.417 -4.905 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 6 3.763 -3.607 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.411 -3.068 -9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.106 -2.493 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.535 -0.662 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.881 -1.254 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.593 -0.880 -10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.213 -0.337 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.554 1.543 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.955 0.991 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.826 2.778 -10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.740 1.352 -11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.382 1.887 -10.858 1.00 0.00 H new ATOM 100 N LEU A 7 1.141 -2.759 -5.612 1.00 0.00 N ATOM 101 CA LEU A 7 0.732 -2.058 -4.401 1.00 0.00 C ATOM 102 C LEU A 7 1.243 -2.766 -3.154 1.00 0.00 C ATOM 103 O LEU A 7 1.542 -2.129 -2.145 1.00 0.00 O ATOM 104 CB LEU A 7 -0.798 -1.947 -4.343 1.00 0.00 C ATOM 105 CG LEU A 7 -1.450 -1.149 -5.479 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.955 -1.080 -5.252 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.841 0.245 -5.536 1.00 0.00 C ATOM 0 H LEU A 7 0.376 -3.199 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 7 1.167 -1.059 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.217 -2.953 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.075 -1.487 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.268 -1.643 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.419 -0.513 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.367 -2.089 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.157 -0.589 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.305 0.812 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.013 0.756 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.231 0.167 -5.717 1.00 0.00 H new ATOM 119 N TYR A 8 1.341 -4.090 -3.230 1.00 0.00 N ATOM 120 CA TYR A 8 1.876 -4.882 -2.130 1.00 0.00 C ATOM 121 C TYR A 8 3.372 -4.650 -1.959 1.00 0.00 C ATOM 122 O TYR A 8 3.888 -4.661 -0.841 1.00 0.00 O ATOM 123 CB TYR A 8 1.592 -6.369 -2.353 1.00 0.00 C ATOM 124 CG TYR A 8 0.126 -6.731 -2.271 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.575 -7.055 -3.424 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.519 -6.737 -1.044 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.914 -7.384 -3.349 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.859 -7.066 -0.967 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.555 -7.389 -2.115 1.00 0.00 C ATOM 130 OH TYR A 8 -3.890 -7.717 -2.040 1.00 0.00 O ATOM 0 H TYR A 8 1.056 -4.636 -4.043 1.00 0.00 H new ATOM 0 HA TYR A 8 1.378 -4.562 -1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.974 -6.659 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.142 -6.949 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.073 -7.050 -4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.027 -6.484 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.461 -7.636 -4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.361 -7.070 -0.011 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.245 -7.854 -2.943 1.00 0.00 H new ATOM 140 N ASP A 9 4.063 -4.440 -3.074 1.00 0.00 N ATOM 141 CA ASP A 9 5.490 -4.142 -3.046 1.00 0.00 C ATOM 142 C ASP A 9 5.750 -2.740 -2.512 1.00 0.00 C ATOM 143 O ASP A 9 6.734 -2.505 -1.810 1.00 0.00 O ATOM 144 CB ASP A 9 6.096 -4.284 -4.445 1.00 0.00 C ATOM 145 CG ASP A 9 6.189 -5.731 -4.907 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.103 -6.606 -4.078 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.345 -5.948 -6.084 1.00 0.00 O ATOM 0 H ASP A 9 3.657 -4.471 -4.009 1.00 0.00 H new ATOM 0 HA ASP A 9 5.964 -4.859 -2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.493 -3.719 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.092 -3.842 -4.450 1.00 0.00 H new ATOM 152 N LEU A 10 4.864 -1.810 -2.850 1.00 0.00 N ATOM 153 CA LEU A 10 4.961 -0.442 -2.354 1.00 0.00 C ATOM 154 C LEU A 10 4.843 -0.397 -0.837 1.00 0.00 C ATOM 155 O LEU A 10 5.564 0.345 -0.169 1.00 0.00 O ATOM 156 CB LEU A 10 3.868 0.429 -2.986 1.00 0.00 C ATOM 157 CG LEU A 10 4.055 0.757 -4.472 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.811 1.460 -4.998 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.290 1.626 -4.650 1.00 0.00 C ATOM 0 H LEU A 10 4.069 -1.979 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 10 5.940 -0.053 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.910 -0.076 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.809 1.365 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 10 4.197 -0.162 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.944 1.693 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.946 0.808 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.651 2.383 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.422 1.859 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.168 2.551 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.167 1.092 -4.284 1.00 0.00 H new ATOM 171 N LEU A 11 3.927 -1.192 -0.295 1.00 0.00 N ATOM 172 CA LEU A 11 3.743 -1.279 1.149 1.00 0.00 C ATOM 173 C LEU A 11 4.782 -2.195 1.782 1.00 0.00 C ATOM 174 O LEU A 11 5.153 -2.019 2.942 1.00 0.00 O ATOM 175 CB LEU A 11 2.335 -1.791 1.474 1.00 0.00 C ATOM 176 CG LEU A 11 1.180 -0.877 1.048 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.147 -1.519 1.432 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.339 0.484 1.709 1.00 0.00 C ATOM 0 H LEU A 11 3.299 -1.787 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 11 3.869 -0.279 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.202 -2.761 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.267 -1.954 2.550 1.00 0.00 H new ATOM 0 HG LEU A 11 1.195 -0.739 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.967 -0.868 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.244 -2.482 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.181 -1.666 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.518 1.134 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.328 0.366 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.286 0.929 1.403 1.00 0.00 H new ATOM 190 N GLY A 12 5.247 -3.174 1.014 1.00 0.00 N ATOM 191 CA GLY A 12 6.232 -4.130 1.504 1.00 0.00 C ATOM 192 C GLY A 12 5.577 -5.208 2.358 1.00 0.00 C ATOM 193 O GLY A 12 6.092 -5.579 3.413 1.00 0.00 O ATOM 0 H GLY A 12 4.957 -3.326 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.745 -4.592 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.989 -3.608 2.090 1.00 0.00 H new ATOM 197 N VAL A 13 4.434 -5.707 1.897 1.00 0.00 N ATOM 198 CA VAL A 13 3.640 -6.648 2.676 1.00 0.00 C ATOM 199 C VAL A 13 3.056 -7.742 1.791 1.00 0.00 C ATOM 200 O VAL A 13 2.641 -7.485 0.661 1.00 0.00 O ATOM 201 CB VAL A 13 2.496 -5.911 3.398 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.554 -5.271 2.389 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.743 -6.880 4.299 1.00 0.00 C ATOM 0 H VAL A 13 4.038 -5.474 0.986 1.00 0.00 H new ATOM 0 HA VAL A 13 4.300 -7.109 3.411 1.00 0.00 H new ATOM 0 HB VAL A 13 2.920 -5.118 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.752 -4.755 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.106 -4.556 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.128 -6.043 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.935 -6.352 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.327 -7.688 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.427 -7.295 5.039 1.00 0.00 H new ATOM 213 N SER A 14 3.027 -8.964 2.312 1.00 0.00 N ATOM 214 CA SER A 14 2.501 -10.103 1.567 1.00 0.00 C ATOM 215 C SER A 14 1.009 -9.944 1.304 1.00 0.00 C ATOM 216 O SER A 14 0.274 -9.419 2.138 1.00 0.00 O ATOM 217 CB SER A 14 2.756 -11.388 2.329 1.00 0.00 C ATOM 218 OG SER A 14 2.138 -12.476 1.699 1.00 0.00 O ATOM 0 H SER A 14 3.362 -9.192 3.248 1.00 0.00 H new ATOM 0 HA SER A 14 3.016 -10.145 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.829 -11.566 2.400 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.380 -11.292 3.348 1.00 0.00 H new ATOM 0 HG SER A 14 1.571 -12.949 2.344 1.00 0.00 H new ATOM 224 N PRO A 15 0.567 -10.403 0.137 1.00 0.00 N ATOM 225 CA PRO A 15 -0.846 -10.366 -0.215 1.00 0.00 C ATOM 226 C PRO A 15 -1.651 -11.346 0.630 1.00 0.00 C ATOM 227 O PRO A 15 -2.880 -11.293 0.659 1.00 0.00 O ATOM 228 CB PRO A 15 -0.844 -10.764 -1.694 1.00 0.00 C ATOM 229 CG PRO A 15 0.373 -11.613 -1.842 1.00 0.00 C ATOM 230 CD PRO A 15 1.393 -10.965 -0.944 1.00 0.00 C ATOM 0 HA PRO A 15 -1.309 -9.395 -0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.747 -11.313 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.800 -9.889 -2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.178 -12.643 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.715 -11.641 -2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.116 -11.688 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.957 -10.192 -1.465 1.00 0.00 H new ATOM 238 N SER A 16 -0.949 -12.242 1.316 1.00 0.00 N ATOM 239 CA SER A 16 -1.589 -13.173 2.238 1.00 0.00 C ATOM 240 C SER A 16 -1.943 -12.490 3.553 1.00 0.00 C ATOM 241 O SER A 16 -2.667 -13.049 4.378 1.00 0.00 O ATOM 242 CB SER A 16 -0.677 -14.356 2.502 1.00 0.00 C ATOM 243 OG SER A 16 0.459 -13.964 3.222 1.00 0.00 O ATOM 0 H SER A 16 0.064 -12.343 1.251 1.00 0.00 H new ATOM 0 HA SER A 16 -2.512 -13.524 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.219 -15.120 3.059 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.375 -14.805 1.556 1.00 0.00 H new ATOM 0 HG SER A 16 1.031 -14.744 3.381 1.00 0.00 H new ATOM 249 N ALA A 17 -1.428 -11.280 3.742 1.00 0.00 N ATOM 250 CA ALA A 17 -1.686 -10.522 4.961 1.00 0.00 C ATOM 251 C ALA A 17 -3.125 -10.025 5.008 1.00 0.00 C ATOM 252 O ALA A 17 -3.716 -9.707 3.976 1.00 0.00 O ATOM 253 CB ALA A 17 -0.719 -9.351 5.070 1.00 0.00 C ATOM 0 H ALA A 17 -0.830 -10.803 3.067 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.532 -11.188 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.923 -8.794 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.304 -9.725 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.845 -8.694 4.209 1.00 0.00 H new ATOM 259 N ASN A 18 -3.684 -9.961 6.210 1.00 0.00 N ATOM 260 CA ASN A 18 -5.040 -9.458 6.400 1.00 0.00 C ATOM 261 C ASN A 18 -5.059 -7.936 6.471 1.00 0.00 C ATOM 262 O ASN A 18 -4.021 -7.287 6.345 1.00 0.00 O ATOM 263 CB ASN A 18 -5.664 -10.059 7.647 1.00 0.00 C ATOM 264 CG ASN A 18 -4.992 -9.594 8.910 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.396 -8.513 8.948 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.079 -10.391 9.944 1.00 0.00 N ATOM 0 H ASN A 18 -3.219 -10.252 7.070 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.633 -9.760 5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.721 -9.795 7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.609 -11.146 7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.644 -10.128 10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.582 -11.275 9.866 1.00 0.00 H new ATOM 273 N GLU A 19 -6.244 -7.373 6.675 1.00 0.00 N ATOM 274 CA GLU A 19 -6.432 -5.929 6.587 1.00 0.00 C ATOM 275 C GLU A 19 -5.583 -5.201 7.620 1.00 0.00 C ATOM 276 O GLU A 19 -5.011 -4.148 7.337 1.00 0.00 O ATOM 277 CB GLU A 19 -7.908 -5.572 6.781 1.00 0.00 C ATOM 278 CG GLU A 19 -8.813 -5.993 5.632 1.00 0.00 C ATOM 279 CD GLU A 19 -10.265 -5.703 5.894 1.00 0.00 C ATOM 280 OE1 GLU A 19 -10.592 -5.372 7.008 1.00 0.00 O ATOM 281 OE2 GLU A 19 -11.047 -5.814 4.979 1.00 0.00 O ATOM 0 H GLU A 19 -7.090 -7.895 6.903 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.114 -5.610 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.265 -6.040 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.993 -4.494 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.503 -5.476 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.688 -7.060 5.450 1.00 0.00 H new ATOM 288 N GLN A 20 -5.506 -5.767 8.820 1.00 0.00 N ATOM 289 CA GLN A 20 -4.746 -5.159 9.907 1.00 0.00 C ATOM 290 C GLN A 20 -3.254 -5.160 9.602 1.00 0.00 C ATOM 291 O GLN A 20 -2.556 -4.180 9.862 1.00 0.00 O ATOM 292 CB GLN A 20 -5.013 -5.894 11.223 1.00 0.00 C ATOM 293 CG GLN A 20 -6.418 -5.707 11.768 1.00 0.00 C ATOM 294 CD GLN A 20 -6.668 -6.526 13.019 1.00 0.00 C ATOM 295 OE1 GLN A 20 -6.018 -7.550 13.247 1.00 0.00 O ATOM 296 NE2 GLN A 20 -7.614 -6.081 13.837 1.00 0.00 N ATOM 0 H GLN A 20 -5.961 -6.647 9.065 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.074 -4.124 10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.832 -6.959 11.074 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.297 -5.550 11.970 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.581 -4.652 11.989 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.142 -5.988 11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.127 -5.229 13.609 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.828 -6.591 14.694 1.00 0.00 H new ATOM 305 N GLU A 21 -2.769 -6.267 9.049 1.00 0.00 N ATOM 306 CA GLU A 21 -1.354 -6.404 8.721 1.00 0.00 C ATOM 307 C GLU A 21 -0.983 -5.550 7.516 1.00 0.00 C ATOM 308 O GLU A 21 0.130 -5.032 7.429 1.00 0.00 O ATOM 309 CB GLU A 21 -1.009 -7.869 8.448 1.00 0.00 C ATOM 310 CG GLU A 21 -1.086 -8.773 9.670 1.00 0.00 C ATOM 311 CD GLU A 21 -0.131 -8.368 10.759 1.00 0.00 C ATOM 312 OE1 GLU A 21 1.010 -8.114 10.457 1.00 0.00 O ATOM 313 OE2 GLU A 21 -0.545 -8.310 11.892 1.00 0.00 O ATOM 0 H GLU A 21 -3.336 -7.083 8.818 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.778 -6.055 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.686 -8.253 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.001 -7.921 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.103 -8.760 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.873 -9.799 9.370 1.00 0.00 H new ATOM 320 N LEU A 22 -1.922 -5.408 6.587 1.00 0.00 N ATOM 321 CA LEU A 22 -1.747 -4.508 5.453 1.00 0.00 C ATOM 322 C LEU A 22 -1.621 -3.061 5.913 1.00 0.00 C ATOM 323 O LEU A 22 -0.819 -2.297 5.375 1.00 0.00 O ATOM 324 CB LEU A 22 -2.929 -4.641 4.485 1.00 0.00 C ATOM 325 CG LEU A 22 -3.010 -5.964 3.713 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.325 -6.027 2.948 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.823 -6.075 2.768 1.00 0.00 C ATOM 0 H LEU A 22 -2.813 -5.905 6.597 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.826 -4.788 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.853 -4.513 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.879 -3.824 3.765 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.976 -6.803 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.382 -6.967 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.157 -5.965 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.378 -5.194 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.881 -7.015 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.839 -5.243 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.897 -6.046 3.342 1.00 0.00 H new ATOM 339 N LYS A 23 -2.416 -2.690 6.909 1.00 0.00 N ATOM 340 CA LYS A 23 -2.320 -1.366 7.515 1.00 0.00 C ATOM 341 C LYS A 23 -0.953 -1.149 8.151 1.00 0.00 C ATOM 342 O LYS A 23 -0.354 -0.084 8.006 1.00 0.00 O ATOM 343 CB LYS A 23 -3.422 -1.174 8.557 1.00 0.00 C ATOM 344 CG LYS A 23 -3.430 0.199 9.217 1.00 0.00 C ATOM 345 CD LYS A 23 -4.609 0.348 10.169 1.00 0.00 C ATOM 346 CE LYS A 23 -4.613 1.716 10.837 1.00 0.00 C ATOM 347 NZ LYS A 23 -5.761 1.877 11.769 1.00 0.00 N ATOM 0 H LYS A 23 -3.136 -3.288 7.315 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.448 -0.627 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.388 -1.341 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.311 -1.935 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.498 0.348 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.478 0.973 8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.541 0.206 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.565 -0.431 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.680 1.856 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.654 2.492 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.726 2.822 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.652 1.769 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.708 1.152 12.513 1.00 0.00 H new ATOM 361 N LYS A 24 -0.465 -2.165 8.855 1.00 0.00 N ATOM 362 CA LYS A 24 0.857 -2.109 9.464 1.00 0.00 C ATOM 363 C LYS A 24 1.935 -1.851 8.420 1.00 0.00 C ATOM 364 O LYS A 24 2.870 -1.085 8.655 1.00 0.00 O ATOM 365 CB LYS A 24 1.155 -3.407 10.218 1.00 0.00 C ATOM 366 CG LYS A 24 0.339 -3.598 11.489 1.00 0.00 C ATOM 367 CD LYS A 24 0.656 -4.929 12.153 1.00 0.00 C ATOM 368 CE LYS A 24 -0.237 -5.172 13.362 1.00 0.00 C ATOM 369 NZ LYS A 24 0.020 -6.499 13.986 1.00 0.00 N ATOM 0 H LYS A 24 -0.967 -3.038 9.018 1.00 0.00 H new ATOM 0 HA LYS A 24 0.863 -1.279 10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.970 -4.250 9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.214 -3.429 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.547 -2.784 12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.724 -3.551 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.525 -5.737 11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.701 -4.944 12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.071 -4.386 14.099 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.282 -5.110 13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.608 -6.625 14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.163 -7.251 13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.011 -6.550 14.298 1.00 0.00 H new ATOM 383 N GLY A 25 1.798 -2.493 7.265 1.00 0.00 N ATOM 384 CA GLY A 25 2.708 -2.263 6.149 1.00 0.00 C ATOM 385 C GLY A 25 2.720 -0.796 5.741 1.00 0.00 C ATOM 386 O GLY A 25 3.781 -0.212 5.522 1.00 0.00 O ATOM 0 H GLY A 25 1.065 -3.177 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.715 -2.574 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.408 -2.877 5.300 1.00 0.00 H new ATOM 390 N TYR A 26 1.534 -0.205 5.639 1.00 0.00 N ATOM 391 CA TYR A 26 1.408 1.211 5.314 1.00 0.00 C ATOM 392 C TYR A 26 2.056 2.082 6.382 1.00 0.00 C ATOM 393 O TYR A 26 2.792 3.018 6.072 1.00 0.00 O ATOM 394 CB TYR A 26 -0.064 1.591 5.138 1.00 0.00 C ATOM 395 CG TYR A 26 -0.288 3.069 4.906 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.259 3.687 3.790 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.041 3.805 5.807 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.053 5.036 3.578 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.246 5.155 5.595 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.702 5.770 4.487 1.00 0.00 C ATOM 401 OH TYR A 26 -0.907 7.114 4.275 1.00 0.00 O ATOM 0 H TYR A 26 0.645 -0.686 5.777 1.00 0.00 H new ATOM 0 HA TYR A 26 1.931 1.386 4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.476 1.034 4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.618 1.284 6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.845 3.113 3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.467 3.324 6.675 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.476 5.519 2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.832 5.729 6.297 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.741 7.326 3.333 1.00 0.00 H new ATOM 411 N ARG A 27 1.777 1.767 7.644 1.00 0.00 N ATOM 412 CA ARG A 27 2.307 2.540 8.760 1.00 0.00 C ATOM 413 C ARG A 27 3.828 2.587 8.725 1.00 0.00 C ATOM 414 O ARG A 27 4.431 3.634 8.962 1.00 0.00 O ATOM 415 CB ARG A 27 1.852 1.946 10.085 1.00 0.00 C ATOM 416 CG ARG A 27 0.373 2.124 10.392 1.00 0.00 C ATOM 417 CD ARG A 27 -0.014 1.435 11.650 1.00 0.00 C ATOM 418 NE ARG A 27 0.603 2.049 12.815 1.00 0.00 N ATOM 419 CZ ARG A 27 0.616 1.507 14.049 1.00 0.00 C ATOM 420 NH1 ARG A 27 0.043 0.342 14.260 1.00 0.00 N ATOM 421 NH2 ARG A 27 1.205 2.144 15.045 1.00 0.00 N ATOM 0 H ARG A 27 1.187 0.982 7.918 1.00 0.00 H new ATOM 0 HA ARG A 27 1.923 3.556 8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.083 0.881 10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.432 2.400 10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.144 3.186 10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.220 1.732 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.098 1.459 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.278 0.386 11.595 1.00 0.00 H new ATOM 0 HE ARG A 27 1.058 2.953 12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.410 -0.150 13.490 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.052 -0.069 15.193 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.650 3.047 14.881 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.214 1.733 15.979 1.00 0.00 H new ATOM 435 N LYS A 28 4.444 1.448 8.427 1.00 0.00 N ATOM 436 CA LYS A 28 5.896 1.366 8.324 1.00 0.00 C ATOM 437 C LYS A 28 6.412 2.183 7.147 1.00 0.00 C ATOM 438 O LYS A 28 7.372 2.943 7.280 1.00 0.00 O ATOM 439 CB LYS A 28 6.343 -0.090 8.190 1.00 0.00 C ATOM 440 CG LYS A 28 6.160 -0.924 9.453 1.00 0.00 C ATOM 441 CD LYS A 28 6.588 -2.366 9.228 1.00 0.00 C ATOM 442 CE LYS A 28 6.385 -3.205 10.482 1.00 0.00 C ATOM 443 NZ LYS A 28 6.780 -4.624 10.270 1.00 0.00 N ATOM 0 H LYS A 28 3.959 0.568 8.252 1.00 0.00 H new ATOM 0 HA LYS A 28 6.318 1.782 9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.785 -0.555 7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.395 -0.110 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.744 -0.491 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.115 -0.896 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.015 -2.793 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.637 -2.395 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.970 -2.784 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.338 -3.161 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.627 -5.162 11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.204 -5.034 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.785 -4.669 10.008 1.00 0.00 H new ATOM 457 N ALA A 29 5.771 2.022 5.995 1.00 0.00 N ATOM 458 CA ALA A 29 6.152 2.759 4.796 1.00 0.00 C ATOM 459 C ALA A 29 5.890 4.251 4.961 1.00 0.00 C ATOM 460 O ALA A 29 6.644 5.083 4.456 1.00 0.00 O ATOM 461 CB ALA A 29 5.406 2.222 3.584 1.00 0.00 C ATOM 0 H ALA A 29 4.984 1.386 5.866 1.00 0.00 H new ATOM 0 HA ALA A 29 7.222 2.619 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.701 2.783 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.649 1.168 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.333 2.330 3.740 1.00 0.00 H new ATOM 467 N ALA A 30 4.817 4.583 5.670 1.00 0.00 N ATOM 468 CA ALA A 30 4.461 5.975 5.912 1.00 0.00 C ATOM 469 C ALA A 30 5.534 6.684 6.728 1.00 0.00 C ATOM 470 O ALA A 30 5.867 7.839 6.462 1.00 0.00 O ATOM 471 CB ALA A 30 3.116 6.064 6.619 1.00 0.00 C ATOM 0 H ALA A 30 4.178 3.906 6.087 1.00 0.00 H new ATOM 0 HA ALA A 30 4.386 6.475 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.865 7.110 6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.347 5.604 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.172 5.541 7.574 1.00 0.00 H new ATOM 477 N LEU A 31 6.074 5.986 7.722 1.00 0.00 N ATOM 478 CA LEU A 31 7.201 6.495 8.492 1.00 0.00 C ATOM 479 C LEU A 31 8.449 6.619 7.629 1.00 0.00 C ATOM 480 O LEU A 31 9.196 7.591 7.735 1.00 0.00 O ATOM 481 CB LEU A 31 7.485 5.575 9.686 1.00 0.00 C ATOM 482 CG LEU A 31 6.430 5.583 10.799 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.749 4.489 11.809 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.404 6.951 11.466 1.00 0.00 C ATOM 0 H LEU A 31 5.748 5.064 8.013 1.00 0.00 H new ATOM 0 HA LEU A 31 6.936 7.488 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.590 4.554 9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.445 5.858 10.119 1.00 0.00 H new ATOM 0 HG LEU A 31 5.444 5.387 10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.999 4.494 12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.743 3.520 11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.734 4.668 12.241 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.654 6.956 12.257 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.383 7.166 11.893 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.156 7.712 10.726 1.00 0.00 H new ATOM 496 N LYS A 32 8.670 5.626 6.772 1.00 0.00 N ATOM 497 CA LYS A 32 9.822 5.628 5.879 1.00 0.00 C ATOM 498 C LYS A 32 9.837 6.871 5.000 1.00 0.00 C ATOM 499 O LYS A 32 10.876 7.506 4.823 1.00 0.00 O ATOM 500 CB LYS A 32 9.827 4.370 5.009 1.00 0.00 C ATOM 501 CG LYS A 32 11.019 4.259 4.068 1.00 0.00 C ATOM 502 CD LYS A 32 10.990 2.952 3.291 1.00 0.00 C ATOM 503 CE LYS A 32 12.180 2.842 2.348 1.00 0.00 C ATOM 504 NZ LYS A 32 12.173 1.561 1.590 1.00 0.00 N ATOM 0 H LYS A 32 8.065 4.810 6.678 1.00 0.00 H new ATOM 0 HA LYS A 32 10.721 5.637 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.810 3.494 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.911 4.348 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.015 5.098 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.944 4.324 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.996 2.113 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.064 2.886 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.167 3.678 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.105 2.920 2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.000 1.526 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.212 0.763 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.303 1.497 1.024 1.00 0.00 H new ATOM 518 N TYR A 33 8.677 7.216 4.453 1.00 0.00 N ATOM 519 CA TYR A 33 8.565 8.352 3.545 1.00 0.00 C ATOM 520 C TYR A 33 7.840 9.517 4.205 1.00 0.00 C ATOM 521 O TYR A 33 7.244 10.355 3.528 1.00 0.00 O ATOM 522 CB TYR A 33 7.845 7.940 2.258 1.00 0.00 C ATOM 523 CG TYR A 33 8.531 6.820 1.506 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.909 5.587 1.380 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.781 7.027 0.943 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.535 4.564 0.693 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.407 6.007 0.256 1.00 0.00 C ATOM 528 CZ TYR A 33 9.789 4.778 0.131 1.00 0.00 C ATOM 529 OH TYR A 33 10.413 3.761 -0.553 1.00 0.00 O ATOM 0 H TYR A 33 7.799 6.725 4.623 1.00 0.00 H new ATOM 0 HA TYR A 33 9.574 8.680 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.829 7.631 2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.764 8.808 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.935 5.426 1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.265 7.987 1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.053 3.603 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.380 6.170 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 33 11.281 4.074 -0.884 1.00 0.00 H new ATOM 539 N HIS A 34 7.895 9.564 5.532 1.00 0.00 N ATOM 540 CA HIS A 34 7.184 10.586 6.291 1.00 0.00 C ATOM 541 C HIS A 34 7.742 11.974 6.005 1.00 0.00 C ATOM 542 O HIS A 34 8.956 12.181 6.024 1.00 0.00 O ATOM 543 CB HIS A 34 7.265 10.297 7.794 1.00 0.00 C ATOM 544 CG HIS A 34 6.248 11.040 8.604 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.339 12.394 8.853 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.120 10.619 9.224 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.309 12.773 9.589 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.556 11.716 9.828 1.00 0.00 N ATOM 0 H HIS A 34 8.425 8.906 6.104 1.00 0.00 H new ATOM 0 HA HIS A 34 6.140 10.561 5.978 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.136 9.227 7.957 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.262 10.556 8.152 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.736 9.610 9.240 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.116 13.777 9.936 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.694 11.714 10.373 1.00 0.00 H new ATOM 556 N PRO A 35 6.851 12.922 5.738 1.00 0.00 N ATOM 557 CA PRO A 35 7.256 14.263 5.332 1.00 0.00 C ATOM 558 C PRO A 35 8.221 14.875 6.337 1.00 0.00 C ATOM 559 O PRO A 35 9.122 15.630 5.968 1.00 0.00 O ATOM 560 CB PRO A 35 5.927 15.025 5.288 1.00 0.00 C ATOM 561 CG PRO A 35 4.926 13.992 4.898 1.00 0.00 C ATOM 562 CD PRO A 35 5.367 12.750 5.625 1.00 0.00 C ATOM 0 HA PRO A 35 7.789 14.284 4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.688 15.465 6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.959 15.841 4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.918 14.286 5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.914 13.838 3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.896 12.669 6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.108 11.847 5.072 1.00 0.00 H new ATOM 570 N ASP A 36 8.030 14.547 7.610 1.00 0.00 N ATOM 571 CA ASP A 36 8.750 15.212 8.690 1.00 0.00 C ATOM 572 C ASP A 36 10.024 14.458 9.047 1.00 0.00 C ATOM 573 O ASP A 36 10.679 14.764 10.044 1.00 0.00 O ATOM 574 CB ASP A 36 7.860 15.339 9.929 1.00 0.00 C ATOM 575 CG ASP A 36 6.681 16.280 9.719 1.00 0.00 C ATOM 576 OD1 ASP A 36 6.777 17.141 8.877 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.697 16.129 10.402 1.00 0.00 O ATOM 0 H ASP A 36 7.381 13.823 7.920 1.00 0.00 H new ATOM 0 HA ASP A 36 9.024 16.208 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.486 14.353 10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.460 15.698 10.766 1.00 0.00 H new ATOM 582 N LYS A 37 10.373 13.474 8.228 1.00 0.00 N ATOM 583 CA LYS A 37 11.606 12.720 8.417 1.00 0.00 C ATOM 584 C LYS A 37 12.628 13.054 7.336 1.00 0.00 C ATOM 585 O LYS A 37 12.270 13.521 6.254 1.00 0.00 O ATOM 586 CB LYS A 37 11.321 11.217 8.423 1.00 0.00 C ATOM 587 CG LYS A 37 10.408 10.756 9.552 1.00 0.00 C ATOM 588 CD LYS A 37 11.069 10.945 10.910 1.00 0.00 C ATOM 589 CE LYS A 37 10.199 10.398 12.031 1.00 0.00 C ATOM 590 NZ LYS A 37 10.805 10.631 13.370 1.00 0.00 N ATOM 0 H LYS A 37 9.818 13.179 7.425 1.00 0.00 H new ATOM 0 HA LYS A 37 12.025 13.005 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.869 10.941 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.267 10.680 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.474 11.316 9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.155 9.705 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.036 10.442 10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.260 12.005 11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.217 10.869 11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.046 9.329 11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.181 10.243 14.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.731 10.160 13.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.927 11.652 13.523 1.00 0.00 H new ATOM 604 N PRO A 38 13.899 12.812 7.636 1.00 0.00 N ATOM 605 CA PRO A 38 14.975 13.102 6.697 1.00 0.00 C ATOM 606 C PRO A 38 14.751 12.396 5.366 1.00 0.00 C ATOM 607 O PRO A 38 15.144 12.896 4.313 1.00 0.00 O ATOM 608 CB PRO A 38 16.215 12.563 7.417 1.00 0.00 C ATOM 609 CG PRO A 38 15.877 12.679 8.865 1.00 0.00 C ATOM 610 CD PRO A 38 14.414 12.327 8.935 1.00 0.00 C ATOM 0 HA PRO A 38 15.054 14.160 6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.420 11.530 7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.104 13.143 7.168 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.479 12.000 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.062 13.687 9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.261 11.255 9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.920 12.816 9.774 1.00 0.00 H new ATOM 618 N THR A 39 14.114 11.230 5.419 1.00 0.00 N ATOM 619 CA THR A 39 13.903 10.417 4.228 1.00 0.00 C ATOM 620 C THR A 39 12.497 10.609 3.672 1.00 0.00 C ATOM 621 O THR A 39 11.999 9.775 2.916 1.00 0.00 O ATOM 622 CB THR A 39 14.143 8.926 4.526 1.00 0.00 C ATOM 623 OG1 THR A 39 13.253 8.494 5.564 1.00 0.00 O ATOM 624 CG2 THR A 39 15.580 8.694 4.965 1.00 0.00 C ATOM 0 H THR A 39 13.735 10.827 6.276 1.00 0.00 H new ATOM 0 HA THR A 39 14.623 10.747 3.480 1.00 0.00 H new ATOM 0 HB THR A 39 13.956 8.355 3.617 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.530 7.960 5.174 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.731 7.634 5.171 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.258 9.009 4.172 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.783 9.272 5.867 1.00 0.00 H new ATOM 632 N GLY A 40 11.863 11.712 4.051 1.00 0.00 N ATOM 633 CA GLY A 40 10.508 12.012 3.597 1.00 0.00 C ATOM 634 C GLY A 40 10.452 12.141 2.081 1.00 0.00 C ATOM 635 O GLY A 40 11.370 12.676 1.459 1.00 0.00 O ATOM 0 H GLY A 40 12.265 12.415 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.829 11.224 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.164 12.939 4.057 1.00 0.00 H new ATOM 639 N ASP A 41 9.368 11.647 1.491 1.00 0.00 N ATOM 640 CA ASP A 41 9.200 11.687 0.044 1.00 0.00 C ATOM 641 C ASP A 41 7.726 11.690 -0.340 1.00 0.00 C ATOM 642 O ASP A 41 7.056 10.659 -0.279 1.00 0.00 O ATOM 643 CB ASP A 41 9.901 10.492 -0.611 1.00 0.00 C ATOM 644 CG ASP A 41 9.848 10.535 -2.132 1.00 0.00 C ATOM 645 OD1 ASP A 41 8.882 11.035 -2.659 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.772 10.066 -2.752 1.00 0.00 O ATOM 0 H ASP A 41 8.593 11.214 1.994 1.00 0.00 H new ATOM 0 HA ASP A 41 9.653 12.611 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.942 10.467 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.437 9.569 -0.262 1.00 0.00 H new ATOM 651 N THR A 42 7.226 12.856 -0.736 1.00 0.00 N ATOM 652 CA THR A 42 5.802 13.029 -0.999 1.00 0.00 C ATOM 653 C THR A 42 5.328 12.094 -2.104 1.00 0.00 C ATOM 654 O THR A 42 4.256 11.497 -2.008 1.00 0.00 O ATOM 655 CB THR A 42 5.481 14.485 -1.380 1.00 0.00 C ATOM 656 OG1 THR A 42 5.816 15.353 -0.289 1.00 0.00 O ATOM 657 CG2 THR A 42 4.005 14.638 -1.711 1.00 0.00 C ATOM 0 H THR A 42 7.786 13.696 -0.882 1.00 0.00 H new ATOM 0 HA THR A 42 5.272 12.781 -0.079 1.00 0.00 H new ATOM 0 HB THR A 42 6.068 14.752 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.613 16.280 -0.534 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.797 15.674 -1.978 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.751 13.989 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.407 14.360 -0.843 1.00 0.00 H new ATOM 665 N GLU A 43 6.134 11.971 -3.154 1.00 0.00 N ATOM 666 CA GLU A 43 5.785 11.127 -4.291 1.00 0.00 C ATOM 667 C GLU A 43 5.581 9.680 -3.863 1.00 0.00 C ATOM 668 O GLU A 43 4.559 9.069 -4.175 1.00 0.00 O ATOM 669 CB GLU A 43 6.875 11.203 -5.364 1.00 0.00 C ATOM 670 CG GLU A 43 6.596 10.364 -6.602 1.00 0.00 C ATOM 671 CD GLU A 43 7.653 10.513 -7.660 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.547 11.304 -7.473 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.568 9.837 -8.658 1.00 0.00 O ATOM 0 H GLU A 43 7.033 12.445 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 43 4.847 11.497 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.000 12.243 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.821 10.882 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.522 9.315 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.630 10.650 -7.018 1.00 0.00 H new ATOM 680 N LYS A 44 6.558 9.138 -3.145 1.00 0.00 N ATOM 681 CA LYS A 44 6.495 7.756 -2.684 1.00 0.00 C ATOM 682 C LYS A 44 5.437 7.585 -1.600 1.00 0.00 C ATOM 683 O LYS A 44 4.800 6.537 -1.502 1.00 0.00 O ATOM 684 CB LYS A 44 7.859 7.300 -2.164 1.00 0.00 C ATOM 685 CG LYS A 44 8.958 7.277 -3.217 1.00 0.00 C ATOM 686 CD LYS A 44 8.589 6.371 -4.381 1.00 0.00 C ATOM 687 CE LYS A 44 8.673 4.903 -3.990 1.00 0.00 C ATOM 688 NZ LYS A 44 8.397 4.002 -5.142 1.00 0.00 N ATOM 0 H LYS A 44 7.405 9.636 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 44 6.216 7.134 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.164 7.960 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.757 6.301 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.135 8.288 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.889 6.933 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.578 6.602 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.257 6.564 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.665 4.690 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.960 4.699 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.481 3.012 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.434 4.175 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.083 4.189 -5.901 1.00 0.00 H new ATOM 702 N PHE A 45 5.255 8.623 -0.790 1.00 0.00 N ATOM 703 CA PHE A 45 4.218 8.621 0.236 1.00 0.00 C ATOM 704 C PHE A 45 2.830 8.525 -0.385 1.00 0.00 C ATOM 705 O PHE A 45 1.959 7.821 0.125 1.00 0.00 O ATOM 706 CB PHE A 45 4.313 9.884 1.092 1.00 0.00 C ATOM 707 CG PHE A 45 3.463 9.841 2.331 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.180 10.365 2.325 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.945 9.278 3.502 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.397 10.326 3.464 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.165 9.237 4.641 1.00 0.00 C ATOM 712 CZ PHE A 45 1.888 9.762 4.621 1.00 0.00 C ATOM 0 H PHE A 45 5.812 9.477 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 45 4.376 7.746 0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.353 10.039 1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.018 10.743 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.788 10.808 1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.943 8.866 3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.399 10.738 3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.553 8.795 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.276 9.731 5.510 1.00 0.00 H new ATOM 722 N LYS A 46 2.631 9.237 -1.489 1.00 0.00 N ATOM 723 CA LYS A 46 1.380 9.162 -2.233 1.00 0.00 C ATOM 724 C LYS A 46 1.147 7.761 -2.782 1.00 0.00 C ATOM 725 O LYS A 46 0.036 7.235 -2.722 1.00 0.00 O ATOM 726 CB LYS A 46 1.371 10.182 -3.373 1.00 0.00 C ATOM 727 CG LYS A 46 0.082 10.210 -4.183 1.00 0.00 C ATOM 728 CD LYS A 46 0.122 11.298 -5.247 1.00 0.00 C ATOM 729 CE LYS A 46 -1.155 11.311 -6.074 1.00 0.00 C ATOM 730 NZ LYS A 46 -1.132 12.372 -7.117 1.00 0.00 N ATOM 0 H LYS A 46 3.321 9.873 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 46 0.569 9.396 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.546 11.174 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.203 9.966 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.074 9.241 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.765 10.380 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.260 12.269 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.979 11.139 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.290 10.339 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.011 11.467 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.020 12.347 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.029 13.302 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.331 12.210 -7.760 1.00 0.00 H new ATOM 744 N GLU A 47 2.204 7.159 -3.319 1.00 0.00 N ATOM 745 CA GLU A 47 2.106 5.834 -3.921 1.00 0.00 C ATOM 746 C GLU A 47 1.628 4.804 -2.908 1.00 0.00 C ATOM 747 O GLU A 47 0.740 4.000 -3.197 1.00 0.00 O ATOM 748 CB GLU A 47 3.461 5.410 -4.494 1.00 0.00 C ATOM 749 CG GLU A 47 3.875 6.159 -5.753 1.00 0.00 C ATOM 750 CD GLU A 47 5.215 5.726 -6.277 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.817 4.867 -5.679 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.639 6.257 -7.276 1.00 0.00 O ATOM 0 H GLU A 47 3.138 7.568 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 47 1.375 5.886 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.226 5.556 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.430 4.343 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.122 6.005 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.901 7.228 -5.542 1.00 0.00 H new ATOM 759 N ILE A 48 2.218 4.831 -1.718 1.00 0.00 N ATOM 760 CA ILE A 48 1.876 3.876 -0.671 1.00 0.00 C ATOM 761 C ILE A 48 0.523 4.197 -0.052 1.00 0.00 C ATOM 762 O ILE A 48 -0.145 3.319 0.496 1.00 0.00 O ATOM 763 CB ILE A 48 2.954 3.859 0.430 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.033 5.222 1.121 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.304 3.475 -0.155 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.897 5.231 2.360 1.00 0.00 C ATOM 0 H ILE A 48 2.937 5.505 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 48 1.824 2.891 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 48 2.678 3.112 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.421 5.955 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.026 5.541 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.054 3.468 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.238 2.483 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.589 4.199 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.903 6.232 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.498 4.524 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.915 4.944 2.096 1.00 0.00 H new ATOM 778 N SER A 49 0.121 5.461 -0.142 1.00 0.00 N ATOM 779 CA SER A 49 -1.198 5.880 0.315 1.00 0.00 C ATOM 780 C SER A 49 -2.293 5.358 -0.608 1.00 0.00 C ATOM 781 O SER A 49 -3.361 4.954 -0.151 1.00 0.00 O ATOM 782 CB SER A 49 -1.268 7.392 0.391 1.00 0.00 C ATOM 783 OG SER A 49 -0.429 7.884 1.402 1.00 0.00 O ATOM 0 H SER A 49 0.691 6.213 -0.528 1.00 0.00 H new ATOM 0 HA SER A 49 -1.358 5.460 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.978 7.822 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.295 7.703 0.582 1.00 0.00 H new ATOM 0 HG SER A 49 0.506 7.797 1.122 1.00 0.00 H new ATOM 789 N GLU A 50 -2.018 5.371 -1.908 1.00 0.00 N ATOM 790 CA GLU A 50 -2.889 4.722 -2.881 1.00 0.00 C ATOM 791 C GLU A 50 -2.948 3.217 -2.649 1.00 0.00 C ATOM 792 O GLU A 50 -4.020 2.615 -2.692 1.00 0.00 O ATOM 793 CB GLU A 50 -2.405 5.009 -4.304 1.00 0.00 C ATOM 794 CG GLU A 50 -2.692 6.422 -4.792 1.00 0.00 C ATOM 795 CD GLU A 50 -2.157 6.685 -6.172 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.197 6.052 -6.546 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.708 7.518 -6.853 1.00 0.00 O ATOM 0 H GLU A 50 -1.198 5.824 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.892 5.129 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.331 4.832 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.876 4.300 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.769 6.591 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.254 7.137 -4.096 1.00 0.00 H new ATOM 804 N ALA A 51 -1.790 2.616 -2.402 1.00 0.00 N ATOM 805 CA ALA A 51 -1.716 1.193 -2.094 1.00 0.00 C ATOM 806 C ALA A 51 -2.558 0.850 -0.871 1.00 0.00 C ATOM 807 O ALA A 51 -3.303 -0.129 -0.875 1.00 0.00 O ATOM 808 CB ALA A 51 -0.269 0.772 -1.874 1.00 0.00 C ATOM 0 H ALA A 51 -0.888 3.093 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.117 0.644 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.231 -0.293 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.309 0.970 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.152 1.337 -1.043 1.00 0.00 H new ATOM 814 N PHE A 52 -2.434 1.661 0.174 1.00 0.00 N ATOM 815 CA PHE A 52 -3.205 1.462 1.395 1.00 0.00 C ATOM 816 C PHE A 52 -4.701 1.532 1.118 1.00 0.00 C ATOM 817 O PHE A 52 -5.442 0.597 1.423 1.00 0.00 O ATOM 818 CB PHE A 52 -2.826 2.510 2.443 1.00 0.00 C ATOM 819 CG PHE A 52 -3.678 2.468 3.678 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.605 1.395 4.553 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.558 3.500 3.968 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.389 1.355 5.691 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.342 3.464 5.104 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.258 2.389 5.966 1.00 0.00 C ATOM 0 H PHE A 52 -1.805 2.464 0.199 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.970 0.469 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.784 2.366 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.900 3.501 1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.927 0.581 4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.631 4.343 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.321 0.514 6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.021 4.276 5.318 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.872 2.358 6.854 1.00 0.00 H new ATOM 834 N GLU A 53 -5.140 2.644 0.539 1.00 0.00 N ATOM 835 CA GLU A 53 -6.558 2.871 0.292 1.00 0.00 C ATOM 836 C GLU A 53 -7.162 1.739 -0.530 1.00 0.00 C ATOM 837 O GLU A 53 -8.201 1.184 -0.171 1.00 0.00 O ATOM 838 CB GLU A 53 -6.769 4.204 -0.428 1.00 0.00 C ATOM 839 CG GLU A 53 -8.221 4.518 -0.761 1.00 0.00 C ATOM 840 CD GLU A 53 -8.384 5.815 -1.502 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.429 6.550 -1.593 1.00 0.00 O ATOM 842 OE2 GLU A 53 -9.464 6.072 -1.978 1.00 0.00 O ATOM 0 H GLU A 53 -4.532 3.403 0.232 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.062 2.902 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.370 5.006 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.190 4.199 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.634 3.708 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.800 4.557 0.162 1.00 0.00 H new ATOM 849 N ILE A 54 -6.506 1.401 -1.634 1.00 0.00 N ATOM 850 CA ILE A 54 -7.001 0.364 -2.532 1.00 0.00 C ATOM 851 C ILE A 54 -7.033 -0.993 -1.844 1.00 0.00 C ATOM 852 O ILE A 54 -7.979 -1.763 -2.012 1.00 0.00 O ATOM 853 CB ILE A 54 -6.131 0.276 -3.800 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.307 1.533 -4.657 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.481 -0.970 -4.600 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.275 1.675 -5.753 1.00 0.00 C ATOM 0 H ILE A 54 -5.629 1.830 -1.929 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.018 0.638 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.086 0.208 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.300 1.519 -5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.261 2.410 -4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.857 -1.017 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.307 -1.856 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.530 -0.932 -4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.466 2.589 -6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.280 1.722 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.335 0.817 -6.422 1.00 0.00 H new ATOM 868 N LEU A 55 -5.995 -1.282 -1.066 1.00 0.00 N ATOM 869 CA LEU A 55 -5.871 -2.573 -0.401 1.00 0.00 C ATOM 870 C LEU A 55 -6.563 -2.564 0.956 1.00 0.00 C ATOM 871 O LEU A 55 -6.657 -3.594 1.624 1.00 0.00 O ATOM 872 CB LEU A 55 -4.392 -2.940 -0.224 1.00 0.00 C ATOM 873 CG LEU A 55 -3.589 -3.109 -1.520 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.133 -3.400 -1.183 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.194 -4.234 -2.348 1.00 0.00 C ATOM 0 H LEU A 55 -5.226 -0.638 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.357 -3.319 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.915 -2.168 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.333 -3.869 0.342 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.629 -2.190 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.563 -3.520 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.720 -2.572 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.071 -4.317 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.624 -4.355 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.163 -5.162 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.229 -3.991 -2.591 1.00 0.00 H new ATOM 887 N ASN A 56 -7.047 -1.394 1.358 1.00 0.00 N ATOM 888 CA ASN A 56 -7.873 -1.276 2.555 1.00 0.00 C ATOM 889 C ASN A 56 -9.326 -1.621 2.257 1.00 0.00 C ATOM 890 O ASN A 56 -9.891 -2.536 2.855 1.00 0.00 O ATOM 891 CB ASN A 56 -7.763 0.118 3.145 1.00 0.00 C ATOM 892 CG ASN A 56 -8.522 0.260 4.434 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.296 -0.492 5.389 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.420 1.212 4.482 1.00 0.00 N ATOM 0 H ASN A 56 -6.882 -0.513 0.872 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.503 -1.992 3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.713 0.354 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.138 0.844 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.966 1.356 5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.574 1.810 3.670 1.00 0.00 H new ATOM 901 N ASP A 57 -9.926 -0.883 1.330 1.00 0.00 N ATOM 902 CA ASP A 57 -11.296 -1.146 0.909 1.00 0.00 C ATOM 903 C ASP A 57 -11.428 -2.536 0.300 1.00 0.00 C ATOM 904 O ASP A 57 -10.818 -2.835 -0.727 1.00 0.00 O ATOM 905 CB ASP A 57 -11.759 -0.093 -0.102 1.00 0.00 C ATOM 906 CG ASP A 57 -13.223 -0.247 -0.489 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.770 -1.300 -0.262 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.782 0.691 -1.007 1.00 0.00 O ATOM 0 H ASP A 57 -9.484 -0.096 0.855 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.929 -1.095 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.602 0.900 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.142 -0.161 -0.998 1.00 0.00 H new ATOM 913 N PRO A 58 -12.229 -3.383 0.939 1.00 0.00 N ATOM 914 CA PRO A 58 -12.405 -4.758 0.488 1.00 0.00 C ATOM 915 C PRO A 58 -12.778 -4.811 -0.989 1.00 0.00 C ATOM 916 O PRO A 58 -12.352 -5.707 -1.715 1.00 0.00 O ATOM 917 CB PRO A 58 -13.544 -5.268 1.376 1.00 0.00 C ATOM 918 CG PRO A 58 -13.379 -4.514 2.651 1.00 0.00 C ATOM 919 CD PRO A 58 -12.964 -3.133 2.218 1.00 0.00 C ATOM 0 HA PRO A 58 -11.499 -5.359 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.517 -5.078 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.472 -6.344 1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.308 -4.489 3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.625 -4.974 3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.825 -2.482 2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.328 -2.652 2.961 1.00 0.00 H new ATOM 927 N GLN A 59 -13.578 -3.843 -1.426 1.00 0.00 N ATOM 928 CA GLN A 59 -14.047 -3.802 -2.807 1.00 0.00 C ATOM 929 C GLN A 59 -12.905 -3.498 -3.767 1.00 0.00 C ATOM 930 O GLN A 59 -12.777 -4.129 -4.816 1.00 0.00 O ATOM 931 CB GLN A 59 -15.157 -2.760 -2.965 1.00 0.00 C ATOM 932 CG GLN A 59 -15.800 -2.738 -4.341 1.00 0.00 C ATOM 933 CD GLN A 59 -16.538 -4.025 -4.655 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.388 -4.475 -3.879 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.217 -4.627 -5.794 1.00 0.00 N ATOM 0 H GLN A 59 -13.915 -3.076 -0.844 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.447 -4.786 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.928 -2.951 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.746 -1.773 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.495 -1.900 -4.401 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.032 -2.570 -5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.509 -4.219 -6.404 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.679 -5.497 -6.059 1.00 0.00 H new ATOM 944 N LYS A 60 -12.077 -2.523 -3.404 1.00 0.00 N ATOM 945 CA LYS A 60 -10.957 -2.117 -4.244 1.00 0.00 C ATOM 946 C LYS A 60 -9.850 -3.163 -4.231 1.00 0.00 C ATOM 947 O LYS A 60 -9.181 -3.386 -5.241 1.00 0.00 O ATOM 948 CB LYS A 60 -10.409 -0.763 -3.789 1.00 0.00 C ATOM 949 CG LYS A 60 -11.339 0.414 -4.053 1.00 0.00 C ATOM 950 CD LYS A 60 -10.727 1.720 -3.572 1.00 0.00 C ATOM 951 CE LYS A 60 -11.653 2.898 -3.838 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.072 4.182 -3.361 1.00 0.00 N ATOM 0 H LYS A 60 -12.161 -1.999 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.324 -2.024 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.198 -0.811 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.460 -0.581 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.551 0.481 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.291 0.248 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.517 1.654 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.774 1.884 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.855 2.966 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.609 2.727 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.815 4.753 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.319 3.987 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.675 4.704 -4.168 1.00 0.00 H new ATOM 966 N ARG A 61 -9.660 -3.800 -3.082 1.00 0.00 N ATOM 967 CA ARG A 61 -8.665 -4.858 -2.947 1.00 0.00 C ATOM 968 C ARG A 61 -9.018 -6.060 -3.814 1.00 0.00 C ATOM 969 O ARG A 61 -8.157 -6.623 -4.489 1.00 0.00 O ATOM 970 CB ARG A 61 -8.547 -5.301 -1.496 1.00 0.00 C ATOM 971 CG ARG A 61 -7.506 -6.378 -1.239 1.00 0.00 C ATOM 972 CD ARG A 61 -7.259 -6.569 0.214 1.00 0.00 C ATOM 973 NE ARG A 61 -8.436 -7.080 0.899 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.169 -6.378 1.784 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.837 -5.141 2.080 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.224 -6.933 2.356 1.00 0.00 N ATOM 0 H ARG A 61 -10.183 -3.602 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.710 -4.453 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.308 -4.431 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.518 -5.668 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.839 -7.318 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.573 -6.108 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.428 -7.261 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.962 -5.620 0.660 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.726 -8.036 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.023 -4.712 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.393 -4.610 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.482 -7.893 2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.779 -6.401 3.026 1.00 0.00 H new ATOM 990 N GLU A 62 -10.289 -6.446 -3.791 1.00 0.00 N ATOM 991 CA GLU A 62 -10.767 -7.553 -4.612 1.00 0.00 C ATOM 992 C GLU A 62 -10.600 -7.250 -6.096 1.00 0.00 C ATOM 993 O GLU A 62 -10.157 -8.102 -6.866 1.00 0.00 O ATOM 994 CB GLU A 62 -12.238 -7.847 -4.304 1.00 0.00 C ATOM 995 CG GLU A 62 -12.822 -9.015 -5.087 1.00 0.00 C ATOM 996 CD GLU A 62 -12.225 -10.337 -4.699 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.734 -10.447 -3.601 1.00 0.00 O ATOM 998 OE2 GLU A 62 -12.258 -11.241 -5.502 1.00 0.00 O ATOM 0 H GLU A 62 -11.007 -6.009 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.167 -8.431 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.340 -8.052 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.826 -6.954 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.900 -9.049 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.661 -8.848 -6.152 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.959 -6.034 -6.490 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.799 -5.599 -7.873 1.00 0.00 C ATOM 1007 C ILE A 63 -9.334 -5.605 -8.288 1.00 0.00 C ATOM 1008 O ILE A 63 -8.992 -6.039 -9.388 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.387 -4.191 -8.078 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.913 -4.223 -7.944 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.980 -3.636 -9.433 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.546 -2.855 -7.850 1.00 0.00 C ATOM 0 H ILE A 63 -11.363 -5.331 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.342 -6.306 -8.500 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.988 -3.534 -7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.333 -4.749 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.178 -4.798 -7.057 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.405 -2.640 -9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.893 -3.577 -9.491 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.350 -4.292 -10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.627 -2.960 -7.757 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.156 -2.333 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.313 -2.284 -8.748 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.472 -5.118 -7.402 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.037 -5.096 -7.660 1.00 0.00 C ATOM 1026 C TYR A 64 -6.488 -6.507 -7.833 1.00 0.00 C ATOM 1027 O TYR A 64 -5.801 -6.800 -8.812 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.301 -4.375 -6.530 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.799 -4.329 -6.711 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.239 -3.469 -7.645 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.982 -5.147 -5.945 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.869 -3.428 -7.811 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.613 -5.104 -6.109 1.00 0.00 C ATOM 1034 CZ TYR A 64 -2.055 -4.250 -7.040 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.690 -4.208 -7.204 1.00 0.00 O ATOM 0 H TYR A 64 -8.743 -4.733 -6.497 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.872 -4.552 -8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.680 -3.356 -6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.529 -4.871 -5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.875 -2.832 -8.242 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.418 -5.818 -5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.431 -2.760 -8.537 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.977 -5.738 -5.509 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.479 -3.939 -8.122 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.796 -7.378 -6.878 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.274 -8.739 -6.887 1.00 0.00 C ATOM 1047 C ASP A 65 -6.739 -9.498 -8.122 1.00 0.00 C ATOM 1048 O ASP A 65 -5.999 -10.307 -8.681 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.713 -9.489 -5.625 1.00 0.00 C ATOM 1050 CG ASP A 65 -6.087 -8.928 -4.356 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.156 -8.165 -4.461 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.546 -9.268 -3.290 1.00 0.00 O ATOM 0 H ASP A 65 -7.405 -7.165 -6.088 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.186 -8.677 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.799 -9.443 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.445 -10.541 -5.722 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.971 -9.233 -8.545 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.544 -9.906 -9.705 1.00 0.00 C ATOM 1059 C GLN A 66 -8.193 -9.177 -10.995 1.00 0.00 C ATOM 1060 O GLN A 66 -7.440 -9.687 -11.823 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.064 -10.016 -9.563 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.521 -10.932 -8.442 1.00 0.00 C ATOM 1063 CD GLN A 66 -10.093 -12.372 -8.661 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -10.206 -12.906 -9.768 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -9.600 -13.008 -7.605 1.00 0.00 N ATOM 0 H GLN A 66 -8.592 -8.556 -8.101 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.117 -10.908 -9.752 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.475 -9.021 -9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.480 -10.376 -10.504 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.114 -10.575 -7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.607 -10.887 -8.359 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.525 -12.527 -6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.296 -13.978 -7.690 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.742 -7.978 -11.159 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.700 -7.283 -12.441 1.00 0.00 C ATOM 1076 C TYR A 67 -7.354 -6.600 -12.652 1.00 0.00 C ATOM 1077 O TYR A 67 -6.714 -6.777 -13.689 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.835 -6.262 -12.535 1.00 0.00 C ATOM 1079 CG TYR A 67 -11.214 -6.881 -12.547 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.377 -8.204 -12.934 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -12.317 -6.127 -12.175 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.638 -8.769 -12.946 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -13.577 -6.693 -12.187 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.739 -8.009 -12.570 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.994 -8.572 -12.582 1.00 0.00 O ATOM 0 H TYR A 67 -9.222 -7.466 -10.419 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.830 -8.025 -13.229 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.763 -5.574 -11.692 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.705 -5.670 -13.441 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.519 -8.791 -13.226 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.191 -5.097 -11.876 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.768 -9.798 -13.247 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.436 -6.106 -11.897 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.653 -7.908 -12.291 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.933 -5.819 -11.663 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.645 -5.137 -11.724 1.00 0.00 C ATOM 1097 C GLY A 68 -5.756 -3.705 -11.216 1.00 0.00 C ATOM 1098 O GLY A 68 -6.793 -3.302 -10.692 1.00 0.00 O ATOM 0 H GLY A 68 -7.464 -5.642 -10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.913 -5.682 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.280 -5.134 -12.751 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.679 -2.943 -11.375 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.592 -1.610 -10.787 1.00 0.00 C ATOM 1104 C LEU A 69 -5.545 -0.641 -11.473 1.00 0.00 C ATOM 1105 O LEU A 69 -6.284 0.090 -10.814 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.156 -1.081 -10.887 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.920 0.318 -10.301 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.295 0.320 -8.825 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.464 0.711 -10.496 1.00 0.00 C ATOM 0 H LEU A 69 -3.855 -3.225 -11.905 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.878 -1.688 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.494 -1.783 -10.381 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.865 -1.069 -11.937 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.545 1.048 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.128 1.313 -8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.346 0.053 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.680 -0.405 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.296 1.704 -10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.822 -0.008 -9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.229 0.719 -11.560 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.527 -0.641 -12.802 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.355 0.271 -13.580 1.00 0.00 C ATOM 1123 C GLU A 70 -7.828 0.124 -13.220 1.00 0.00 C ATOM 1124 O GLU A 70 -8.548 1.113 -13.091 1.00 0.00 O ATOM 1125 CB GLU A 70 -6.159 0.024 -15.078 1.00 0.00 C ATOM 1126 CG GLU A 70 -4.798 0.446 -15.612 1.00 0.00 C ATOM 1127 CD GLU A 70 -4.610 0.110 -17.066 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.445 -0.571 -17.611 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -3.632 0.536 -17.632 1.00 0.00 O ATOM 0 H GLU A 70 -4.946 -1.264 -13.363 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.044 1.288 -13.340 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.302 -1.037 -15.281 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.933 0.560 -15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.676 1.520 -15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.017 -0.041 -15.028 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.268 -1.119 -13.057 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.639 -1.397 -12.642 1.00 0.00 C ATOM 1138 C ALA A 71 -9.898 -0.897 -11.226 1.00 0.00 C ATOM 1139 O ALA A 71 -10.948 -0.321 -10.946 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.928 -2.888 -12.738 1.00 0.00 C ATOM 0 H ALA A 71 -7.696 -1.950 -13.206 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.310 -0.863 -13.315 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.954 -3.081 -12.425 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.794 -3.219 -13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.243 -3.434 -12.090 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.935 -1.121 -10.340 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.070 -0.717 -8.945 1.00 0.00 C ATOM 1148 C ALA A 72 -9.145 0.799 -8.814 1.00 0.00 C ATOM 1149 O ALA A 72 -9.923 1.324 -8.018 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.911 -1.262 -8.121 1.00 0.00 C ATOM 0 H ALA A 72 -8.052 -1.580 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.002 -1.134 -8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.026 -0.952 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.905 -2.351 -8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.971 -0.874 -8.514 1.00 0.00 H new