USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 7 TYR OH : rot 180:sc= 0.136 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -109:sc= 1.74 (180deg=-0.0918) USER MOD Single : A 5 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 11 THR OG1 : rot -132:sc= 0.159 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.72! K(o=-3.7!,f=-0.85) USER MOD Single : A 19 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.9!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0185 K(o=-0.018,f=-0.79) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 48 MET CE :methyl -142:sc= -2.62! (180deg=-5.51!) USER MOD Single : A 50 ASN : amide:sc= -0.407 K(o=-0.41,f=-6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00747) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc=-0.00901 (180deg=-0.177) USER MOD Single : A 66 SER OG : rot -67:sc= 1.31 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 51:sc= 0.443 USER MOD Single : A 111 SER OG : rot 180:sc=-0.00261 USER MOD Single : A 114 LYS NZ :NH3+ -165:sc= 0.875 (180deg=0.676) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.23) USER MOD Single : A 119 SER OG : rot -51:sc= 0.458 USER MOD Single : A 121 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.4!) USER MOD Single : A 124 ASN : amide:sc= -0.0684 K(o=-0.068,f=-2!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -142:sc= -0.0376 (180deg=-1.5) USER MOD Single : A 130 LYS NZ :NH3+ 138:sc= 0.93! (180deg=0.159) USER MOD Single : A 132 LYS NZ :NH3+ 135:sc= 1.13 (180deg=0.0801) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 3 -16.862 12.037 -0.812 1.00 34.04 N ATOM 33 CA ASP A 3 -15.638 12.080 -1.590 1.00 32.01 C ATOM 34 C ASP A 3 -15.749 11.071 -2.724 1.00 41.44 C ATOM 35 O ASP A 3 -16.099 9.913 -2.498 1.00 34.34 O ATOM 36 CB ASP A 3 -14.430 11.751 -0.698 1.00 23.30 C ATOM 37 CG ASP A 3 -13.094 12.082 -1.338 1.00 41.23 C ATOM 38 OD1 ASP A 3 -12.889 11.736 -2.518 1.00 24.13 O ATOM 39 OD2 ASP A 3 -12.230 12.659 -0.640 1.00 63.22 O ATOM 0 HA ASP A 3 -15.494 13.080 -2.000 1.00 32.01 H new ATOM 0 HB2 ASP A 3 -14.521 12.300 0.239 1.00 23.30 H new ATOM 0 HB3 ASP A 3 -14.451 10.690 -0.449 1.00 23.30 H new ATOM 44 N ARG A 4 -15.476 11.525 -3.931 1.00 54.24 N ATOM 45 CA ARG A 4 -15.621 10.698 -5.125 1.00 62.23 C ATOM 46 C ARG A 4 -14.291 10.598 -5.857 1.00 52.14 C ATOM 47 O ARG A 4 -14.224 10.125 -6.990 1.00 5.44 O ATOM 48 CB ARG A 4 -16.652 11.323 -6.066 1.00 61.42 C ATOM 49 CG ARG A 4 -16.225 12.695 -6.560 1.00 62.12 C ATOM 50 CD ARG A 4 -17.025 13.160 -7.761 1.00 45.41 C ATOM 51 NE ARG A 4 -16.481 14.402 -8.307 1.00 51.43 N ATOM 52 CZ ARG A 4 -16.735 14.863 -9.529 1.00 11.30 C ATOM 53 NH1 ARG A 4 -17.548 14.201 -10.345 1.00 43.24 N ATOM 54 NH2 ARG A 4 -16.183 15.998 -9.931 1.00 24.52 N ATOM 0 H ARG A 4 -15.148 12.473 -4.118 1.00 54.24 H new ATOM 0 HA ARG A 4 -15.948 9.704 -4.821 1.00 62.23 H new ATOM 0 HB2 ARG A 4 -16.808 10.664 -6.920 1.00 61.42 H new ATOM 0 HB3 ARG A 4 -17.608 11.407 -5.550 1.00 61.42 H new ATOM 0 HG2 ARG A 4 -16.337 13.418 -5.752 1.00 62.12 H new ATOM 0 HG3 ARG A 4 -15.167 12.669 -6.821 1.00 62.12 H new ATOM 0 HD2 ARG A 4 -17.016 12.387 -8.529 1.00 45.41 H new ATOM 0 HD3 ARG A 4 -18.065 13.311 -7.473 1.00 45.41 H new ATOM 0 HE ARG A 4 -15.864 14.953 -7.710 1.00 51.43 H new ATOM 0 HH11 ARG A 4 -17.983 13.332 -10.036 1.00 43.24 H new ATOM 0 HH12 ARG A 4 -17.737 14.562 -11.280 1.00 43.24 H new ATOM 0 HH21 ARG A 4 -15.566 16.515 -9.305 1.00 24.52 H new ATOM 0 HH22 ARG A 4 -16.375 16.355 -10.867 1.00 24.52 H new ATOM 68 N THR A 5 -13.242 11.051 -5.206 1.00 15.50 N ATOM 69 CA THR A 5 -11.972 11.249 -5.871 1.00 12.32 C ATOM 70 C THR A 5 -11.092 10.005 -5.806 1.00 4.03 C ATOM 71 O THR A 5 -10.878 9.444 -4.733 1.00 22.03 O ATOM 72 CB THR A 5 -11.224 12.434 -5.240 1.00 63.44 C ATOM 73 OG1 THR A 5 -12.160 13.287 -4.561 1.00 43.10 O ATOM 74 CG2 THR A 5 -10.496 13.235 -6.303 1.00 74.43 C ATOM 0 H THR A 5 -13.243 11.290 -4.214 1.00 15.50 H new ATOM 0 HA THR A 5 -12.186 11.457 -6.919 1.00 12.32 H new ATOM 0 HB THR A 5 -10.493 12.045 -4.531 1.00 63.44 H new ATOM 0 HG1 THR A 5 -12.269 12.982 -3.636 1.00 43.10 H new ATOM 0 HG21 THR A 5 -9.973 14.069 -5.835 1.00 74.43 H new ATOM 0 HG22 THR A 5 -9.776 12.594 -6.812 1.00 74.43 H new ATOM 0 HG23 THR A 5 -11.216 13.618 -7.027 1.00 74.43 H new ATOM 82 N GLU A 6 -10.607 9.557 -6.959 1.00 2.33 N ATOM 83 CA GLU A 6 -9.603 8.508 -6.989 1.00 24.03 C ATOM 84 C GLU A 6 -8.285 9.080 -6.480 1.00 74.20 C ATOM 85 O GLU A 6 -7.823 10.126 -6.945 1.00 43.23 O ATOM 86 CB GLU A 6 -9.460 7.907 -8.395 1.00 73.02 C ATOM 87 CG GLU A 6 -9.195 8.919 -9.497 1.00 5.44 C ATOM 88 CD GLU A 6 -9.097 8.266 -10.863 1.00 25.12 C ATOM 89 OE1 GLU A 6 -10.146 8.090 -11.524 1.00 30.25 O ATOM 90 OE2 GLU A 6 -7.975 7.921 -11.286 1.00 61.00 O ATOM 0 H GLU A 6 -10.892 9.902 -7.876 1.00 2.33 H new ATOM 0 HA GLU A 6 -9.912 7.689 -6.339 1.00 24.03 H new ATOM 0 HB2 GLU A 6 -8.646 7.182 -8.384 1.00 73.02 H new ATOM 0 HB3 GLU A 6 -10.371 7.360 -8.635 1.00 73.02 H new ATOM 0 HG2 GLU A 6 -9.994 9.660 -9.507 1.00 5.44 H new ATOM 0 HG3 GLU A 6 -8.268 9.452 -9.284 1.00 5.44 H new ATOM 97 N TYR A 7 -7.699 8.411 -5.503 1.00 74.35 N ATOM 98 CA TYR A 7 -6.605 8.991 -4.741 1.00 11.32 C ATOM 99 C TYR A 7 -5.244 8.665 -5.335 1.00 22.03 C ATOM 100 O TYR A 7 -4.964 7.521 -5.702 1.00 71.42 O ATOM 101 CB TYR A 7 -6.670 8.517 -3.288 1.00 24.34 C ATOM 102 CG TYR A 7 -8.023 8.729 -2.662 1.00 63.41 C ATOM 103 CD1 TYR A 7 -8.527 10.008 -2.473 1.00 51.23 C ATOM 104 CD2 TYR A 7 -8.803 7.648 -2.271 1.00 42.31 C ATOM 105 CE1 TYR A 7 -9.771 10.205 -1.914 1.00 45.44 C ATOM 106 CE2 TYR A 7 -10.048 7.837 -1.709 1.00 34.21 C ATOM 107 CZ TYR A 7 -10.526 9.116 -1.536 1.00 15.50 C ATOM 108 OH TYR A 7 -11.767 9.311 -0.987 1.00 72.43 O ATOM 0 H TYR A 7 -7.961 7.467 -5.218 1.00 74.35 H new ATOM 0 HA TYR A 7 -6.723 10.074 -4.782 1.00 11.32 H new ATOM 0 HB2 TYR A 7 -6.418 7.457 -3.245 1.00 24.34 H new ATOM 0 HB3 TYR A 7 -5.918 9.048 -2.704 1.00 24.34 H new ATOM 0 HD1 TYR A 7 -7.935 10.862 -2.768 1.00 51.23 H new ATOM 0 HD2 TYR A 7 -8.429 6.644 -2.409 1.00 42.31 H new ATOM 0 HE1 TYR A 7 -10.152 11.206 -1.773 1.00 45.44 H new ATOM 0 HE2 TYR A 7 -10.643 6.988 -1.407 1.00 34.21 H new ATOM 0 HH TYR A 7 -12.171 8.444 -0.776 1.00 72.43 H new ATOM 118 N ASP A 8 -4.418 9.697 -5.437 1.00 21.33 N ATOM 119 CA ASP A 8 -3.020 9.542 -5.805 1.00 14.42 C ATOM 120 C ASP A 8 -2.212 9.246 -4.559 1.00 33.24 C ATOM 121 O ASP A 8 -1.717 10.152 -3.902 1.00 11.33 O ATOM 122 CB ASP A 8 -2.476 10.811 -6.469 1.00 55.52 C ATOM 123 CG ASP A 8 -3.199 11.166 -7.745 1.00 14.13 C ATOM 124 OD1 ASP A 8 -2.807 10.655 -8.815 1.00 41.32 O ATOM 125 OD2 ASP A 8 -4.151 11.976 -7.688 1.00 15.23 O ATOM 0 H ASP A 8 -4.699 10.663 -5.267 1.00 21.33 H new ATOM 0 HA ASP A 8 -2.939 8.722 -6.518 1.00 14.42 H new ATOM 0 HB2 ASP A 8 -2.556 11.643 -5.769 1.00 55.52 H new ATOM 0 HB3 ASP A 8 -1.416 10.676 -6.684 1.00 55.52 H new ATOM 130 N VAL A 9 -2.073 7.979 -4.243 1.00 13.13 N ATOM 131 CA VAL A 9 -1.461 7.570 -2.992 1.00 4.44 C ATOM 132 C VAL A 9 0.028 7.335 -3.196 1.00 4.15 C ATOM 133 O VAL A 9 0.441 6.713 -4.176 1.00 1.20 O ATOM 134 CB VAL A 9 -2.131 6.289 -2.445 1.00 42.21 C ATOM 135 CG1 VAL A 9 -1.499 5.856 -1.134 1.00 41.31 C ATOM 136 CG2 VAL A 9 -3.628 6.503 -2.273 1.00 10.21 C ATOM 0 H VAL A 9 -2.376 7.207 -4.837 1.00 13.13 H new ATOM 0 HA VAL A 9 -1.602 8.367 -2.262 1.00 4.44 H new ATOM 0 HB VAL A 9 -1.975 5.491 -3.171 1.00 42.21 H new ATOM 0 HG11 VAL A 9 -1.991 4.953 -0.774 1.00 41.31 H new ATOM 0 HG12 VAL A 9 -0.439 5.654 -1.290 1.00 41.31 H new ATOM 0 HG13 VAL A 9 -1.612 6.650 -0.396 1.00 41.31 H new ATOM 0 HG21 VAL A 9 -4.084 5.591 -1.887 1.00 10.21 H new ATOM 0 HG22 VAL A 9 -3.801 7.320 -1.572 1.00 10.21 H new ATOM 0 HG23 VAL A 9 -4.073 6.752 -3.236 1.00 10.21 H new ATOM 146 N TYR A 10 0.832 7.860 -2.283 1.00 11.22 N ATOM 147 CA TYR A 10 2.272 7.835 -2.444 1.00 22.04 C ATOM 148 C TYR A 10 2.944 6.910 -1.437 1.00 4.43 C ATOM 149 O TYR A 10 2.531 6.807 -0.277 1.00 34.41 O ATOM 150 CB TYR A 10 2.850 9.254 -2.336 1.00 52.12 C ATOM 151 CG TYR A 10 2.641 9.919 -0.989 1.00 11.32 C ATOM 152 CD1 TYR A 10 1.484 10.641 -0.717 1.00 23.03 C ATOM 153 CD2 TYR A 10 3.605 9.826 0.008 1.00 41.25 C ATOM 154 CE1 TYR A 10 1.297 11.250 0.510 1.00 70.04 C ATOM 155 CE2 TYR A 10 3.425 10.431 1.235 1.00 14.13 C ATOM 156 CZ TYR A 10 2.271 11.141 1.481 1.00 13.51 C ATOM 157 OH TYR A 10 2.091 11.743 2.703 1.00 4.32 O ATOM 0 H TYR A 10 0.509 8.307 -1.425 1.00 11.22 H new ATOM 0 HA TYR A 10 2.480 7.441 -3.439 1.00 22.04 H new ATOM 0 HB2 TYR A 10 3.919 9.214 -2.545 1.00 52.12 H new ATOM 0 HB3 TYR A 10 2.398 9.876 -3.108 1.00 52.12 H new ATOM 0 HD1 TYR A 10 0.720 10.727 -1.476 1.00 23.03 H new ATOM 0 HD2 TYR A 10 4.511 9.270 -0.181 1.00 41.25 H new ATOM 0 HE1 TYR A 10 0.394 11.808 0.707 1.00 70.04 H new ATOM 0 HE2 TYR A 10 4.185 10.348 1.998 1.00 14.13 H new ATOM 0 HH TYR A 10 2.870 11.568 3.272 1.00 4.32 H new ATOM 167 N THR A 11 3.966 6.231 -1.923 1.00 35.51 N ATOM 168 CA THR A 11 4.841 5.407 -1.113 1.00 31.25 C ATOM 169 C THR A 11 6.250 5.552 -1.697 1.00 24.54 C ATOM 170 O THR A 11 6.459 6.405 -2.564 1.00 70.04 O ATOM 171 CB THR A 11 4.400 3.919 -1.139 1.00 43.11 C ATOM 172 OG1 THR A 11 2.971 3.829 -1.059 1.00 3.44 O ATOM 173 CG2 THR A 11 5.005 3.137 0.023 1.00 71.24 C ATOM 0 H THR A 11 4.215 6.238 -2.912 1.00 35.51 H new ATOM 0 HA THR A 11 4.806 5.728 -0.072 1.00 31.25 H new ATOM 0 HB THR A 11 4.755 3.489 -2.076 1.00 43.11 H new ATOM 0 HG1 THR A 11 2.722 3.172 -0.376 1.00 3.44 H new ATOM 0 HG21 THR A 11 4.675 2.099 -0.026 1.00 71.24 H new ATOM 0 HG22 THR A 11 6.093 3.176 -0.039 1.00 71.24 H new ATOM 0 HG23 THR A 11 4.680 3.577 0.966 1.00 71.24 H new ATOM 181 N ASP A 12 7.210 4.764 -1.243 1.00 73.12 N ATOM 182 CA ASP A 12 8.528 4.781 -1.865 1.00 2.04 C ATOM 183 C ASP A 12 8.499 3.913 -3.118 1.00 60.12 C ATOM 184 O ASP A 12 7.694 2.986 -3.214 1.00 53.42 O ATOM 185 CB ASP A 12 9.618 4.300 -0.906 1.00 32.45 C ATOM 186 CG ASP A 12 11.009 4.526 -1.471 1.00 70.21 C ATOM 187 OD1 ASP A 12 11.471 5.685 -1.482 1.00 63.12 O ATOM 188 OD2 ASP A 12 11.637 3.551 -1.929 1.00 73.12 O ATOM 0 H ASP A 12 7.108 4.116 -0.462 1.00 73.12 H new ATOM 0 HA ASP A 12 8.770 5.810 -2.131 1.00 2.04 H new ATOM 0 HB2 ASP A 12 9.523 4.825 0.045 1.00 32.45 H new ATOM 0 HB3 ASP A 12 9.478 3.239 -0.700 1.00 32.45 H new ATOM 193 N GLY A 13 9.362 4.222 -4.074 1.00 51.23 N ATOM 194 CA GLY A 13 9.320 3.559 -5.362 1.00 45.12 C ATOM 195 C GLY A 13 9.699 2.088 -5.320 1.00 74.33 C ATOM 196 O GLY A 13 9.164 1.290 -6.093 1.00 2.31 O ATOM 0 H GLY A 13 10.095 4.925 -3.980 1.00 51.23 H new ATOM 0 HA2 GLY A 13 8.315 3.652 -5.773 1.00 45.12 H new ATOM 0 HA3 GLY A 13 9.993 4.076 -6.046 1.00 45.12 H new ATOM 200 N SER A 14 10.602 1.716 -4.425 1.00 61.33 N ATOM 201 CA SER A 14 11.134 0.359 -4.419 1.00 21.13 C ATOM 202 C SER A 14 11.381 -0.150 -3.003 1.00 74.21 C ATOM 203 O SER A 14 11.258 0.596 -2.028 1.00 10.32 O ATOM 204 CB SER A 14 12.430 0.315 -5.237 1.00 72.42 C ATOM 205 OG SER A 14 13.313 1.365 -4.861 1.00 13.11 O ATOM 0 H SER A 14 10.979 2.326 -3.700 1.00 61.33 H new ATOM 0 HA SER A 14 10.391 -0.298 -4.871 1.00 21.13 H new ATOM 0 HB2 SER A 14 12.922 -0.647 -5.092 1.00 72.42 H new ATOM 0 HB3 SER A 14 12.196 0.396 -6.298 1.00 72.42 H new ATOM 0 HG SER A 14 14.132 1.312 -5.397 1.00 13.11 H new ATOM 211 N TYR A 15 11.719 -1.430 -2.898 1.00 71.43 N ATOM 212 CA TYR A 15 12.076 -2.032 -1.620 1.00 71.32 C ATOM 213 C TYR A 15 13.465 -1.552 -1.216 1.00 24.05 C ATOM 214 O TYR A 15 14.398 -1.599 -2.019 1.00 45.41 O ATOM 215 CB TYR A 15 12.061 -3.562 -1.722 1.00 73.30 C ATOM 216 CG TYR A 15 10.808 -4.135 -2.356 1.00 45.23 C ATOM 217 CD1 TYR A 15 9.543 -3.755 -1.925 1.00 61.35 C ATOM 218 CD2 TYR A 15 10.897 -5.064 -3.383 1.00 31.43 C ATOM 219 CE1 TYR A 15 8.403 -4.289 -2.499 1.00 70.54 C ATOM 220 CE2 TYR A 15 9.762 -5.600 -3.964 1.00 72.01 C ATOM 221 CZ TYR A 15 8.517 -5.209 -3.519 1.00 44.30 C ATOM 222 OH TYR A 15 7.384 -5.743 -4.095 1.00 1.23 O ATOM 0 H TYR A 15 11.753 -2.074 -3.688 1.00 71.43 H new ATOM 0 HA TYR A 15 11.347 -1.733 -0.867 1.00 71.32 H new ATOM 0 HB2 TYR A 15 12.926 -3.884 -2.301 1.00 73.30 H new ATOM 0 HB3 TYR A 15 12.172 -3.982 -0.722 1.00 73.30 H new ATOM 0 HD1 TYR A 15 9.448 -3.031 -1.129 1.00 61.35 H new ATOM 0 HD2 TYR A 15 11.870 -5.374 -3.735 1.00 31.43 H new ATOM 0 HE1 TYR A 15 7.427 -3.986 -2.149 1.00 70.54 H new ATOM 0 HE2 TYR A 15 9.851 -6.322 -4.763 1.00 72.01 H new ATOM 0 HH TYR A 15 7.641 -6.374 -4.799 1.00 1.23 H new ATOM 232 N VAL A 16 13.616 -1.108 0.021 1.00 52.23 N ATOM 233 CA VAL A 16 14.865 -0.495 0.445 1.00 4.32 C ATOM 234 C VAL A 16 15.734 -1.492 1.207 1.00 10.04 C ATOM 235 O VAL A 16 15.264 -2.192 2.105 1.00 72.10 O ATOM 236 CB VAL A 16 14.620 0.774 1.300 1.00 23.24 C ATOM 237 CG1 VAL A 16 13.835 0.448 2.561 1.00 55.12 C ATOM 238 CG2 VAL A 16 15.932 1.461 1.639 1.00 5.42 C ATOM 0 H VAL A 16 12.898 -1.159 0.743 1.00 52.23 H new ATOM 0 HA VAL A 16 15.396 -0.191 -0.457 1.00 4.32 H new ATOM 0 HB VAL A 16 14.020 1.464 0.706 1.00 23.24 H new ATOM 0 HG11 VAL A 16 13.680 1.359 3.139 1.00 55.12 H new ATOM 0 HG12 VAL A 16 12.869 0.022 2.289 1.00 55.12 H new ATOM 0 HG13 VAL A 16 14.392 -0.271 3.161 1.00 55.12 H new ATOM 0 HG21 VAL A 16 15.733 2.349 2.239 1.00 5.42 H new ATOM 0 HG22 VAL A 16 16.566 0.776 2.202 1.00 5.42 H new ATOM 0 HG23 VAL A 16 16.439 1.751 0.719 1.00 5.42 H new ATOM 248 N ASN A 17 17.003 -1.567 0.809 1.00 74.31 N ATOM 249 CA ASN A 17 17.972 -2.497 1.391 1.00 74.33 C ATOM 250 C ASN A 17 17.509 -3.943 1.262 1.00 64.34 C ATOM 251 O ASN A 17 17.907 -4.804 2.047 1.00 64.42 O ATOM 252 CB ASN A 17 18.247 -2.169 2.866 1.00 13.31 C ATOM 253 CG ASN A 17 19.104 -0.931 3.050 1.00 53.45 C ATOM 254 OD1 ASN A 17 20.330 -1.004 3.008 1.00 74.40 O ATOM 255 ND2 ASN A 17 18.473 0.209 3.274 1.00 21.13 N ATOM 0 H ASN A 17 17.391 -0.981 0.070 1.00 74.31 H new ATOM 0 HA ASN A 17 18.898 -2.379 0.828 1.00 74.33 H new ATOM 0 HB2 ASN A 17 17.298 -2.027 3.384 1.00 13.31 H new ATOM 0 HB3 ASN A 17 18.742 -3.019 3.335 1.00 13.31 H new ATOM 0 HD21 ASN A 17 19.006 1.067 3.419 1.00 21.13 H new ATOM 0 HD22 ASN A 17 17.454 0.231 3.302 1.00 21.13 H new ATOM 262 N GLY A 18 16.698 -4.208 0.245 1.00 43.42 N ATOM 263 CA GLY A 18 16.226 -5.557 -0.003 1.00 43.52 C ATOM 264 C GLY A 18 15.056 -5.950 0.883 1.00 53.13 C ATOM 265 O GLY A 18 14.578 -7.081 0.819 1.00 43.44 O ATOM 0 H GLY A 18 16.357 -3.509 -0.415 1.00 43.42 H new ATOM 0 HA2 GLY A 18 15.929 -5.645 -1.048 1.00 43.52 H new ATOM 0 HA3 GLY A 18 17.046 -6.258 0.156 1.00 43.52 H new ATOM 269 N GLN A 19 14.588 -5.016 1.702 1.00 4.12 N ATOM 270 CA GLN A 19 13.489 -5.285 2.616 1.00 52.14 C ATOM 271 C GLN A 19 12.193 -4.685 2.096 1.00 44.20 C ATOM 272 O GLN A 19 12.186 -3.606 1.502 1.00 13.11 O ATOM 273 CB GLN A 19 13.810 -4.738 4.009 1.00 60.15 C ATOM 274 CG GLN A 19 14.958 -5.462 4.689 1.00 4.21 C ATOM 275 CD GLN A 19 14.604 -6.882 5.088 1.00 15.23 C ATOM 276 OE1 GLN A 19 13.756 -7.529 4.474 1.00 42.33 O ATOM 277 NE2 GLN A 19 15.266 -7.380 6.119 1.00 22.21 N ATOM 0 H GLN A 19 14.954 -4.065 1.751 1.00 4.12 H new ATOM 0 HA GLN A 19 13.359 -6.365 2.686 1.00 52.14 H new ATOM 0 HB2 GLN A 19 14.055 -3.679 3.928 1.00 60.15 H new ATOM 0 HB3 GLN A 19 12.921 -4.813 4.635 1.00 60.15 H new ATOM 0 HG2 GLN A 19 15.817 -5.481 4.019 1.00 4.21 H new ATOM 0 HG3 GLN A 19 15.258 -4.904 5.576 1.00 4.21 H new ATOM 0 HE21 GLN A 19 15.962 -6.811 6.601 1.00 22.21 H new ATOM 0 HE22 GLN A 19 15.081 -8.333 6.432 1.00 22.21 H new ATOM 286 N TYR A 20 11.101 -5.395 2.317 1.00 3.25 N ATOM 287 CA TYR A 20 9.801 -4.968 1.831 1.00 73.24 C ATOM 288 C TYR A 20 8.770 -4.965 2.952 1.00 70.52 C ATOM 289 O TYR A 20 8.820 -5.795 3.862 1.00 22.42 O ATOM 290 CB TYR A 20 9.335 -5.867 0.678 1.00 2.11 C ATOM 291 CG TYR A 20 9.505 -7.350 0.930 1.00 43.12 C ATOM 292 CD1 TYR A 20 8.563 -8.071 1.652 1.00 70.12 C ATOM 293 CD2 TYR A 20 10.614 -8.028 0.439 1.00 50.12 C ATOM 294 CE1 TYR A 20 8.722 -9.425 1.878 1.00 51.44 C ATOM 295 CE2 TYR A 20 10.779 -9.380 0.660 1.00 54.54 C ATOM 296 CZ TYR A 20 9.831 -10.074 1.379 1.00 53.54 C ATOM 297 OH TYR A 20 9.995 -11.420 1.604 1.00 73.11 O ATOM 0 H TYR A 20 11.089 -6.275 2.833 1.00 3.25 H new ATOM 0 HA TYR A 20 9.900 -3.948 1.460 1.00 73.24 H new ATOM 0 HB2 TYR A 20 8.283 -5.664 0.478 1.00 2.11 H new ATOM 0 HB3 TYR A 20 9.888 -5.598 -0.222 1.00 2.11 H new ATOM 0 HD1 TYR A 20 7.692 -7.566 2.043 1.00 70.12 H new ATOM 0 HD2 TYR A 20 11.360 -7.488 -0.125 1.00 50.12 H new ATOM 0 HE1 TYR A 20 7.981 -9.972 2.443 1.00 51.44 H new ATOM 0 HE2 TYR A 20 11.647 -9.891 0.271 1.00 54.54 H new ATOM 0 HH TYR A 20 10.827 -11.723 1.184 1.00 73.11 H new ATOM 307 N ALA A 21 7.843 -4.023 2.872 1.00 55.35 N ATOM 308 CA ALA A 21 6.777 -3.881 3.851 1.00 72.00 C ATOM 309 C ALA A 21 5.569 -3.236 3.187 1.00 41.31 C ATOM 310 O ALA A 21 5.690 -2.699 2.084 1.00 64.13 O ATOM 311 CB ALA A 21 7.254 -3.039 5.026 1.00 61.43 C ATOM 0 H ALA A 21 7.809 -3.332 2.122 1.00 55.35 H new ATOM 0 HA ALA A 21 6.495 -4.864 4.228 1.00 72.00 H new ATOM 0 HB1 ALA A 21 6.448 -2.939 5.753 1.00 61.43 H new ATOM 0 HB2 ALA A 21 8.109 -3.523 5.497 1.00 61.43 H new ATOM 0 HB3 ALA A 21 7.547 -2.051 4.671 1.00 61.43 H new ATOM 317 N TRP A 22 4.415 -3.281 3.836 1.00 63.42 N ATOM 318 CA TRP A 22 3.224 -2.672 3.267 1.00 31.01 C ATOM 319 C TRP A 22 3.002 -1.296 3.883 1.00 41.22 C ATOM 320 O TRP A 22 3.061 -1.131 5.105 1.00 55.12 O ATOM 321 CB TRP A 22 1.988 -3.575 3.445 1.00 25.34 C ATOM 322 CG TRP A 22 1.520 -3.745 4.862 1.00 33.10 C ATOM 323 CD1 TRP A 22 2.050 -4.569 5.810 1.00 51.22 C ATOM 324 CD2 TRP A 22 0.408 -3.084 5.481 1.00 33.30 C ATOM 325 NE1 TRP A 22 1.341 -4.460 6.981 1.00 41.24 N ATOM 326 CE2 TRP A 22 0.330 -3.552 6.805 1.00 33.54 C ATOM 327 CE3 TRP A 22 -0.530 -2.141 5.045 1.00 52.23 C ATOM 328 CZ2 TRP A 22 -0.643 -3.110 7.697 1.00 61.15 C ATOM 329 CZ3 TRP A 22 -1.495 -1.700 5.933 1.00 63.02 C ATOM 330 CH2 TRP A 22 -1.544 -2.185 7.246 1.00 2.35 C ATOM 0 H TRP A 22 4.279 -3.726 4.744 1.00 63.42 H new ATOM 0 HA TRP A 22 3.375 -2.552 2.194 1.00 31.01 H new ATOM 0 HB2 TRP A 22 1.169 -3.163 2.855 1.00 25.34 H new ATOM 0 HB3 TRP A 22 2.214 -4.559 3.033 1.00 25.34 H new ATOM 0 HD1 TRP A 22 2.904 -5.214 5.662 1.00 51.22 H new ATOM 0 HE1 TRP A 22 1.535 -4.972 7.842 1.00 41.24 H new ATOM 0 HE3 TRP A 22 -0.501 -1.764 4.033 1.00 52.23 H new ATOM 0 HZ2 TRP A 22 -0.685 -3.484 8.709 1.00 61.15 H new ATOM 0 HZ3 TRP A 22 -2.222 -0.970 5.609 1.00 63.02 H new ATOM 0 HH2 TRP A 22 -2.309 -1.821 7.916 1.00 2.35 H new ATOM 341 N ALA A 23 2.782 -0.303 3.032 1.00 21.25 N ATOM 342 CA ALA A 23 2.613 1.067 3.486 1.00 2.33 C ATOM 343 C ALA A 23 2.028 1.933 2.387 1.00 44.14 C ATOM 344 O ALA A 23 2.316 1.730 1.206 1.00 41.55 O ATOM 345 CB ALA A 23 3.948 1.643 3.932 1.00 73.32 C ATOM 0 H ALA A 23 2.717 -0.423 2.021 1.00 21.25 H new ATOM 0 HA ALA A 23 1.923 1.059 4.330 1.00 2.33 H new ATOM 0 HB1 ALA A 23 3.807 2.670 4.270 1.00 73.32 H new ATOM 0 HB2 ALA A 23 4.348 1.044 4.750 1.00 73.32 H new ATOM 0 HB3 ALA A 23 4.648 1.629 3.096 1.00 73.32 H new ATOM 351 N TYR A 24 1.205 2.890 2.781 1.00 54.53 N ATOM 352 CA TYR A 24 0.672 3.874 1.853 1.00 21.32 C ATOM 353 C TYR A 24 0.025 5.012 2.628 1.00 2.23 C ATOM 354 O TYR A 24 -0.617 4.788 3.655 1.00 25.41 O ATOM 355 CB TYR A 24 -0.328 3.242 0.864 1.00 41.33 C ATOM 356 CG TYR A 24 -1.652 2.798 1.458 1.00 14.43 C ATOM 357 CD1 TYR A 24 -1.805 1.529 2.002 1.00 12.20 C ATOM 358 CD2 TYR A 24 -2.755 3.645 1.452 1.00 73.14 C ATOM 359 CE1 TYR A 24 -3.018 1.119 2.525 1.00 61.31 C ATOM 360 CE2 TYR A 24 -3.968 3.242 1.970 1.00 52.11 C ATOM 361 CZ TYR A 24 -4.095 1.980 2.507 1.00 61.33 C ATOM 362 OH TYR A 24 -5.303 1.576 3.024 1.00 63.54 O ATOM 0 H TYR A 24 0.890 3.007 3.744 1.00 54.53 H new ATOM 0 HA TYR A 24 1.498 4.269 1.262 1.00 21.32 H new ATOM 0 HB2 TYR A 24 -0.530 3.962 0.071 1.00 41.33 H new ATOM 0 HB3 TYR A 24 0.147 2.379 0.398 1.00 41.33 H new ATOM 0 HD1 TYR A 24 -0.964 0.852 2.017 1.00 12.20 H new ATOM 0 HD2 TYR A 24 -2.660 4.636 1.034 1.00 73.14 H new ATOM 0 HE1 TYR A 24 -3.121 0.130 2.945 1.00 61.31 H new ATOM 0 HE2 TYR A 24 -4.814 3.913 1.955 1.00 52.11 H new ATOM 0 HH TYR A 24 -5.956 2.301 2.935 1.00 63.54 H new ATOM 372 N ALA A 25 0.222 6.229 2.154 1.00 74.41 N ATOM 373 CA ALA A 25 -0.368 7.395 2.789 1.00 32.41 C ATOM 374 C ALA A 25 -1.486 7.957 1.924 1.00 60.41 C ATOM 375 O ALA A 25 -1.245 8.399 0.800 1.00 65.44 O ATOM 376 CB ALA A 25 0.693 8.453 3.044 1.00 73.30 C ATOM 0 H ALA A 25 0.787 6.436 1.330 1.00 74.41 H new ATOM 0 HA ALA A 25 -0.790 7.094 3.748 1.00 32.41 H new ATOM 0 HB1 ALA A 25 0.235 9.320 3.520 1.00 73.30 H new ATOM 0 HB2 ALA A 25 1.464 8.045 3.698 1.00 73.30 H new ATOM 0 HB3 ALA A 25 1.142 8.754 2.097 1.00 73.30 H new ATOM 382 N PHE A 26 -2.706 7.936 2.443 1.00 72.20 N ATOM 383 CA PHE A 26 -3.856 8.374 1.667 1.00 43.14 C ATOM 384 C PHE A 26 -4.034 9.890 1.745 1.00 51.41 C ATOM 385 O PHE A 26 -4.397 10.451 2.783 1.00 15.25 O ATOM 386 CB PHE A 26 -5.141 7.633 2.085 1.00 32.42 C ATOM 387 CG PHE A 26 -5.464 7.666 3.555 1.00 53.14 C ATOM 388 CD1 PHE A 26 -4.804 6.833 4.445 1.00 70.42 C ATOM 389 CD2 PHE A 26 -6.440 8.519 4.043 1.00 31.22 C ATOM 390 CE1 PHE A 26 -5.114 6.851 5.792 1.00 45.21 C ATOM 391 CE2 PHE A 26 -6.754 8.542 5.388 1.00 25.44 C ATOM 392 CZ PHE A 26 -6.090 7.708 6.264 1.00 72.45 C ATOM 0 H PHE A 26 -2.923 7.623 3.389 1.00 72.20 H new ATOM 0 HA PHE A 26 -3.661 8.118 0.625 1.00 43.14 H new ATOM 0 HB2 PHE A 26 -5.980 8.062 1.538 1.00 32.42 H new ATOM 0 HB3 PHE A 26 -5.056 6.592 1.774 1.00 32.42 H new ATOM 0 HD1 PHE A 26 -4.039 6.163 4.082 1.00 70.42 H new ATOM 0 HD2 PHE A 26 -6.963 9.175 3.363 1.00 31.22 H new ATOM 0 HE1 PHE A 26 -4.594 6.196 6.475 1.00 45.21 H new ATOM 0 HE2 PHE A 26 -7.518 9.212 5.753 1.00 25.44 H new ATOM 0 HZ PHE A 26 -6.332 7.725 7.316 1.00 72.45 H new ATOM 402 N VAL A 27 -3.727 10.542 0.636 1.00 51.13 N ATOM 403 CA VAL A 27 -3.891 11.980 0.498 1.00 5.33 C ATOM 404 C VAL A 27 -5.260 12.307 -0.100 1.00 34.22 C ATOM 405 O VAL A 27 -5.663 11.734 -1.115 1.00 34.43 O ATOM 406 CB VAL A 27 -2.754 12.577 -0.370 1.00 12.22 C ATOM 407 CG1 VAL A 27 -2.499 11.709 -1.586 1.00 71.02 C ATOM 408 CG2 VAL A 27 -3.069 13.994 -0.810 1.00 42.53 C ATOM 0 H VAL A 27 -3.355 10.087 -0.198 1.00 51.13 H new ATOM 0 HA VAL A 27 -3.834 12.431 1.489 1.00 5.33 H new ATOM 0 HB VAL A 27 -1.857 12.604 0.248 1.00 12.22 H new ATOM 0 HG11 VAL A 27 -1.698 12.145 -2.183 1.00 71.02 H new ATOM 0 HG12 VAL A 27 -2.209 10.709 -1.265 1.00 71.02 H new ATOM 0 HG13 VAL A 27 -3.407 11.648 -2.187 1.00 71.02 H new ATOM 0 HG21 VAL A 27 -2.248 14.378 -1.416 1.00 42.53 H new ATOM 0 HG22 VAL A 27 -3.987 13.997 -1.398 1.00 42.53 H new ATOM 0 HG23 VAL A 27 -3.199 14.627 0.068 1.00 42.53 H new ATOM 418 N LYS A 28 -5.972 13.216 0.548 1.00 33.40 N ATOM 419 CA LYS A 28 -7.319 13.580 0.140 1.00 54.12 C ATOM 420 C LYS A 28 -7.480 15.094 0.147 1.00 60.23 C ATOM 421 O LYS A 28 -7.150 15.752 1.133 1.00 70.33 O ATOM 422 CB LYS A 28 -8.344 12.932 1.077 1.00 64.42 C ATOM 423 CG LYS A 28 -8.413 11.415 0.952 1.00 4.44 C ATOM 424 CD LYS A 28 -9.098 10.771 2.148 1.00 24.23 C ATOM 425 CE LYS A 28 -10.522 11.276 2.350 1.00 43.11 C ATOM 426 NZ LYS A 28 -11.427 10.910 1.231 1.00 20.42 N ATOM 0 H LYS A 28 -5.634 13.720 1.368 1.00 33.40 H new ATOM 0 HA LYS A 28 -7.491 13.217 -0.873 1.00 54.12 H new ATOM 0 HB2 LYS A 28 -8.098 13.192 2.106 1.00 64.42 H new ATOM 0 HB3 LYS A 28 -9.329 13.350 0.869 1.00 64.42 H new ATOM 0 HG2 LYS A 28 -8.951 11.151 0.042 1.00 4.44 H new ATOM 0 HG3 LYS A 28 -7.404 11.014 0.854 1.00 4.44 H new ATOM 0 HD2 LYS A 28 -9.116 9.690 2.013 1.00 24.23 H new ATOM 0 HD3 LYS A 28 -8.515 10.970 3.047 1.00 24.23 H new ATOM 0 HE2 LYS A 28 -10.919 10.869 3.280 1.00 43.11 H new ATOM 0 HE3 LYS A 28 -10.506 12.360 2.458 1.00 43.11 H new ATOM 0 HZ1 LYS A 28 -11.662 11.761 0.682 1.00 20.42 H new ATOM 0 HZ2 LYS A 28 -10.954 10.219 0.614 1.00 20.42 H new ATOM 0 HZ3 LYS A 28 -12.300 10.493 1.613 1.00 20.42 H new ATOM 440 N ASP A 29 -7.951 15.631 -0.977 1.00 52.42 N ATOM 441 CA ASP A 29 -8.211 17.066 -1.131 1.00 74.13 C ATOM 442 C ASP A 29 -6.914 17.877 -1.021 1.00 35.20 C ATOM 443 O ASP A 29 -6.925 19.064 -0.693 1.00 53.02 O ATOM 444 CB ASP A 29 -9.250 17.544 -0.102 1.00 63.32 C ATOM 445 CG ASP A 29 -9.832 18.900 -0.449 1.00 20.24 C ATOM 446 OD1 ASP A 29 -10.189 19.114 -1.630 1.00 11.41 O ATOM 447 OD2 ASP A 29 -9.937 19.760 0.451 1.00 74.01 O ATOM 0 H ASP A 29 -8.165 15.084 -1.811 1.00 52.42 H new ATOM 0 HA ASP A 29 -8.621 17.230 -2.128 1.00 74.13 H new ATOM 0 HB2 ASP A 29 -10.056 16.813 -0.038 1.00 63.32 H new ATOM 0 HB3 ASP A 29 -8.785 17.593 0.883 1.00 63.32 H new ATOM 452 N GLY A 30 -5.793 17.231 -1.323 1.00 4.22 N ATOM 453 CA GLY A 30 -4.518 17.926 -1.342 1.00 2.14 C ATOM 454 C GLY A 30 -3.725 17.750 -0.060 1.00 54.44 C ATOM 455 O GLY A 30 -2.524 18.018 -0.027 1.00 52.24 O ATOM 0 H GLY A 30 -5.744 16.239 -1.555 1.00 4.22 H new ATOM 0 HA2 GLY A 30 -3.925 17.563 -2.182 1.00 2.14 H new ATOM 0 HA3 GLY A 30 -4.693 18.989 -1.511 1.00 2.14 H new ATOM 459 N LYS A 31 -4.386 17.294 0.997 1.00 20.13 N ATOM 460 CA LYS A 31 -3.717 17.104 2.276 1.00 24.52 C ATOM 461 C LYS A 31 -3.638 15.625 2.629 1.00 44.31 C ATOM 462 O LYS A 31 -4.390 14.806 2.103 1.00 1.52 O ATOM 463 CB LYS A 31 -4.438 17.858 3.392 1.00 72.14 C ATOM 464 CG LYS A 31 -5.867 17.398 3.614 1.00 44.03 C ATOM 465 CD LYS A 31 -6.454 17.983 4.884 1.00 53.10 C ATOM 466 CE LYS A 31 -6.476 19.502 4.851 1.00 73.44 C ATOM 467 NZ LYS A 31 -7.211 20.073 6.009 1.00 33.41 N ATOM 0 H LYS A 31 -5.377 17.051 0.994 1.00 20.13 H new ATOM 0 HA LYS A 31 -2.707 17.503 2.180 1.00 24.52 H new ATOM 0 HB2 LYS A 31 -3.879 17.738 4.320 1.00 72.14 H new ATOM 0 HB3 LYS A 31 -4.441 18.922 3.157 1.00 72.14 H new ATOM 0 HG2 LYS A 31 -6.480 17.691 2.761 1.00 44.03 H new ATOM 0 HG3 LYS A 31 -5.895 16.310 3.668 1.00 44.03 H new ATOM 0 HD2 LYS A 31 -7.468 17.608 5.021 1.00 53.10 H new ATOM 0 HD3 LYS A 31 -5.871 17.647 5.742 1.00 53.10 H new ATOM 0 HE2 LYS A 31 -5.453 19.879 4.849 1.00 73.44 H new ATOM 0 HE3 LYS A 31 -6.942 19.838 3.925 1.00 73.44 H new ATOM 0 HZ1 LYS A 31 -7.202 21.111 5.948 1.00 33.41 H new ATOM 0 HZ2 LYS A 31 -8.194 19.734 5.998 1.00 33.41 H new ATOM 0 HZ3 LYS A 31 -6.752 19.774 6.893 1.00 33.41 H new ATOM 481 N VAL A 32 -2.743 15.293 3.537 1.00 2.23 N ATOM 482 CA VAL A 32 -2.546 13.913 3.942 1.00 63.32 C ATOM 483 C VAL A 32 -3.123 13.693 5.331 1.00 50.52 C ATOM 484 O VAL A 32 -2.795 14.420 6.267 1.00 24.11 O ATOM 485 CB VAL A 32 -1.050 13.534 3.941 1.00 21.12 C ATOM 486 CG1 VAL A 32 -0.861 12.064 4.285 1.00 73.04 C ATOM 487 CG2 VAL A 32 -0.420 13.858 2.595 1.00 2.44 C ATOM 0 H VAL A 32 -2.137 15.962 4.011 1.00 2.23 H new ATOM 0 HA VAL A 32 -3.061 13.277 3.222 1.00 63.32 H new ATOM 0 HB VAL A 32 -0.548 14.125 4.707 1.00 21.12 H new ATOM 0 HG11 VAL A 32 0.202 11.822 4.278 1.00 73.04 H new ATOM 0 HG12 VAL A 32 -1.271 11.866 5.275 1.00 73.04 H new ATOM 0 HG13 VAL A 32 -1.378 11.449 3.549 1.00 73.04 H new ATOM 0 HG21 VAL A 32 0.635 13.584 2.612 1.00 2.44 H new ATOM 0 HG22 VAL A 32 -0.928 13.297 1.811 1.00 2.44 H new ATOM 0 HG23 VAL A 32 -0.515 14.926 2.396 1.00 2.44 H new ATOM 497 N HIS A 33 -3.988 12.698 5.461 1.00 4.14 N ATOM 498 CA HIS A 33 -4.639 12.431 6.736 1.00 2.23 C ATOM 499 C HIS A 33 -3.756 11.575 7.637 1.00 45.01 C ATOM 500 O HIS A 33 -3.393 11.994 8.734 1.00 24.21 O ATOM 501 CB HIS A 33 -6.002 11.764 6.525 1.00 41.04 C ATOM 502 CG HIS A 33 -7.074 12.715 6.076 1.00 41.30 C ATOM 503 ND1 HIS A 33 -8.096 13.128 6.898 1.00 15.41 N ATOM 504 CD2 HIS A 33 -7.280 13.337 4.889 1.00 14.32 C ATOM 505 CE1 HIS A 33 -8.881 13.961 6.243 1.00 31.04 C ATOM 506 NE2 HIS A 33 -8.409 14.106 5.019 1.00 63.11 N ATOM 0 H HIS A 33 -4.254 12.066 4.706 1.00 4.14 H new ATOM 0 HA HIS A 33 -4.800 13.388 7.233 1.00 2.23 H new ATOM 0 HB2 HIS A 33 -5.898 10.971 5.784 1.00 41.04 H new ATOM 0 HB3 HIS A 33 -6.314 11.292 7.456 1.00 41.04 H new ATOM 0 HD2 HIS A 33 -6.668 13.244 4.004 1.00 14.32 H new ATOM 0 HE1 HIS A 33 -9.762 14.443 6.641 1.00 31.04 H new ATOM 0 HE2 HIS A 33 -8.816 14.692 4.290 1.00 63.11 H new ATOM 515 N TYR A 34 -3.395 10.385 7.173 1.00 13.31 N ATOM 516 CA TYR A 34 -2.580 9.476 7.969 1.00 51.32 C ATOM 517 C TYR A 34 -1.533 8.776 7.112 1.00 30.42 C ATOM 518 O TYR A 34 -1.774 8.485 5.937 1.00 34.41 O ATOM 519 CB TYR A 34 -3.457 8.423 8.657 1.00 50.52 C ATOM 520 CG TYR A 34 -4.337 8.972 9.760 1.00 71.24 C ATOM 521 CD1 TYR A 34 -3.841 9.143 11.045 1.00 5.53 C ATOM 522 CD2 TYR A 34 -5.663 9.312 9.519 1.00 41.42 C ATOM 523 CE1 TYR A 34 -4.638 9.634 12.060 1.00 51.50 C ATOM 524 CE2 TYR A 34 -6.466 9.807 10.530 1.00 62.31 C ATOM 525 CZ TYR A 34 -5.948 9.966 11.797 1.00 51.33 C ATOM 526 OH TYR A 34 -6.747 10.454 12.806 1.00 73.22 O ATOM 0 H TYR A 34 -3.653 10.028 6.253 1.00 13.31 H new ATOM 0 HA TYR A 34 -2.072 10.074 8.725 1.00 51.32 H new ATOM 0 HB2 TYR A 34 -4.088 7.946 7.907 1.00 50.52 H new ATOM 0 HB3 TYR A 34 -2.814 7.647 9.073 1.00 50.52 H new ATOM 0 HD1 TYR A 34 -2.813 8.887 11.255 1.00 5.53 H new ATOM 0 HD2 TYR A 34 -6.072 9.188 8.527 1.00 41.42 H new ATOM 0 HE1 TYR A 34 -4.236 9.757 13.055 1.00 51.50 H new ATOM 0 HE2 TYR A 34 -7.494 10.068 10.328 1.00 62.31 H new ATOM 0 HH TYR A 34 -7.642 10.640 12.453 1.00 73.22 H new ATOM 536 N GLU A 35 -0.376 8.522 7.708 1.00 31.24 N ATOM 537 CA GLU A 35 0.682 7.760 7.064 1.00 31.13 C ATOM 538 C GLU A 35 1.346 6.815 8.065 1.00 43.24 C ATOM 539 O GLU A 35 1.665 7.207 9.188 1.00 64.33 O ATOM 540 CB GLU A 35 1.718 8.691 6.403 1.00 40.33 C ATOM 541 CG GLU A 35 1.908 10.048 7.083 1.00 70.54 C ATOM 542 CD GLU A 35 2.556 9.958 8.449 1.00 43.10 C ATOM 543 OE1 GLU A 35 3.765 9.653 8.524 1.00 3.14 O ATOM 544 OE2 GLU A 35 1.858 10.189 9.458 1.00 42.10 O ATOM 0 H GLU A 35 -0.146 8.838 8.650 1.00 31.24 H new ATOM 0 HA GLU A 35 0.234 7.158 6.273 1.00 31.13 H new ATOM 0 HB2 GLU A 35 2.679 8.178 6.379 1.00 40.33 H new ATOM 0 HB3 GLU A 35 1.421 8.861 5.368 1.00 40.33 H new ATOM 0 HG2 GLU A 35 2.519 10.684 6.442 1.00 70.54 H new ATOM 0 HG3 GLU A 35 0.937 10.534 7.182 1.00 70.54 H new ATOM 551 N ASP A 36 1.527 5.561 7.665 1.00 4.31 N ATOM 552 CA ASP A 36 2.133 4.559 8.539 1.00 35.34 C ATOM 553 C ASP A 36 2.610 3.370 7.710 1.00 25.04 C ATOM 554 O ASP A 36 2.316 3.285 6.514 1.00 65.42 O ATOM 555 CB ASP A 36 1.131 4.093 9.604 1.00 22.23 C ATOM 556 CG ASP A 36 1.796 3.423 10.793 1.00 54.41 C ATOM 557 OD1 ASP A 36 3.042 3.431 10.864 1.00 3.02 O ATOM 558 OD2 ASP A 36 1.075 2.900 11.671 1.00 72.24 O ATOM 0 H ASP A 36 1.264 5.213 6.743 1.00 4.31 H new ATOM 0 HA ASP A 36 2.987 5.008 9.045 1.00 35.34 H new ATOM 0 HB2 ASP A 36 0.555 4.950 9.953 1.00 22.23 H new ATOM 0 HB3 ASP A 36 0.425 3.398 9.151 1.00 22.23 H new ATOM 563 N ALA A 37 3.338 2.465 8.345 1.00 40.42 N ATOM 564 CA ALA A 37 3.892 1.305 7.666 1.00 63.33 C ATOM 565 C ALA A 37 3.987 0.122 8.621 1.00 35.02 C ATOM 566 O ALA A 37 4.114 0.305 9.834 1.00 71.11 O ATOM 567 CB ALA A 37 5.271 1.634 7.113 1.00 22.24 C ATOM 0 H ALA A 37 3.560 2.513 9.339 1.00 40.42 H new ATOM 0 HA ALA A 37 3.230 1.037 6.843 1.00 63.33 H new ATOM 0 HB1 ALA A 37 5.678 0.759 6.606 1.00 22.24 H new ATOM 0 HB2 ALA A 37 5.192 2.459 6.405 1.00 22.24 H new ATOM 0 HB3 ALA A 37 5.932 1.920 7.931 1.00 22.24 H new ATOM 573 N ASP A 38 3.920 -1.084 8.076 1.00 63.12 N ATOM 574 CA ASP A 38 4.068 -2.296 8.874 1.00 32.33 C ATOM 575 C ASP A 38 4.738 -3.394 8.054 1.00 1.53 C ATOM 576 O ASP A 38 4.708 -3.368 6.822 1.00 23.23 O ATOM 577 CB ASP A 38 2.709 -2.765 9.396 1.00 64.43 C ATOM 578 CG ASP A 38 2.794 -4.088 10.129 1.00 13.35 C ATOM 579 OD1 ASP A 38 3.571 -4.180 11.105 1.00 55.50 O ATOM 580 OD2 ASP A 38 2.101 -5.043 9.717 1.00 21.41 O ATOM 0 H ASP A 38 3.764 -1.251 7.082 1.00 63.12 H new ATOM 0 HA ASP A 38 4.703 -2.071 9.731 1.00 32.33 H new ATOM 0 HB2 ASP A 38 2.300 -2.008 10.065 1.00 64.43 H new ATOM 0 HB3 ASP A 38 2.016 -2.860 8.560 1.00 64.43 H new ATOM 585 N VAL A 39 5.350 -4.352 8.739 1.00 12.40 N ATOM 586 CA VAL A 39 6.095 -5.407 8.082 1.00 73.12 C ATOM 587 C VAL A 39 5.352 -6.741 8.137 1.00 50.14 C ATOM 588 O VAL A 39 4.906 -7.182 9.198 1.00 2.44 O ATOM 589 CB VAL A 39 7.494 -5.571 8.710 1.00 5.02 C ATOM 590 CG1 VAL A 39 8.373 -4.379 8.372 1.00 11.22 C ATOM 591 CG2 VAL A 39 7.405 -5.745 10.219 1.00 25.53 C ATOM 0 H VAL A 39 5.342 -4.416 9.757 1.00 12.40 H new ATOM 0 HA VAL A 39 6.204 -5.114 7.038 1.00 73.12 H new ATOM 0 HB VAL A 39 7.943 -6.471 8.290 1.00 5.02 H new ATOM 0 HG11 VAL A 39 9.356 -4.512 8.824 1.00 11.22 H new ATOM 0 HG12 VAL A 39 8.478 -4.300 7.290 1.00 11.22 H new ATOM 0 HG13 VAL A 39 7.916 -3.468 8.760 1.00 11.22 H new ATOM 0 HG21 VAL A 39 8.407 -5.858 10.632 1.00 25.53 H new ATOM 0 HG22 VAL A 39 6.928 -4.869 10.659 1.00 25.53 H new ATOM 0 HG23 VAL A 39 6.816 -6.633 10.449 1.00 25.53 H new ATOM 601 N GLY A 40 5.233 -7.386 6.989 1.00 2.21 N ATOM 602 CA GLY A 40 4.576 -8.674 6.925 1.00 64.23 C ATOM 603 C GLY A 40 3.097 -8.551 6.630 1.00 24.11 C ATOM 604 O GLY A 40 2.635 -7.507 6.177 1.00 70.03 O ATOM 0 H GLY A 40 5.581 -7.039 6.095 1.00 2.21 H new ATOM 0 HA2 GLY A 40 5.049 -9.282 6.154 1.00 64.23 H new ATOM 0 HA3 GLY A 40 4.713 -9.197 7.872 1.00 64.23 H new ATOM 608 N LYS A 41 2.357 -9.623 6.872 1.00 43.22 N ATOM 609 CA LYS A 41 0.917 -9.638 6.650 1.00 64.15 C ATOM 610 C LYS A 41 0.210 -10.414 7.749 1.00 1.13 C ATOM 611 O LYS A 41 0.366 -11.631 7.853 1.00 75.02 O ATOM 612 CB LYS A 41 0.588 -10.279 5.301 1.00 13.04 C ATOM 613 CG LYS A 41 0.990 -9.446 4.098 1.00 61.43 C ATOM 614 CD LYS A 41 0.873 -10.249 2.816 1.00 33.24 C ATOM 615 CE LYS A 41 -0.533 -10.807 2.637 1.00 64.01 C ATOM 616 NZ LYS A 41 -0.621 -11.743 1.486 1.00 74.11 N ATOM 0 H LYS A 41 2.734 -10.502 7.226 1.00 43.22 H new ATOM 0 HA LYS A 41 0.571 -8.604 6.657 1.00 64.15 H new ATOM 0 HB2 LYS A 41 1.086 -11.247 5.241 1.00 13.04 H new ATOM 0 HB3 LYS A 41 -0.484 -10.469 5.254 1.00 13.04 H new ATOM 0 HG2 LYS A 41 0.356 -8.561 4.036 1.00 61.43 H new ATOM 0 HG3 LYS A 41 2.015 -9.096 4.220 1.00 61.43 H new ATOM 0 HD2 LYS A 41 1.127 -9.617 1.965 1.00 33.24 H new ATOM 0 HD3 LYS A 41 1.592 -11.068 2.831 1.00 33.24 H new ATOM 0 HE2 LYS A 41 -0.836 -11.324 3.548 1.00 64.01 H new ATOM 0 HE3 LYS A 41 -1.233 -9.985 2.489 1.00 64.01 H new ATOM 0 HZ1 LYS A 41 -1.595 -12.098 1.401 1.00 74.11 H new ATOM 0 HZ2 LYS A 41 -0.357 -11.245 0.612 1.00 74.11 H new ATOM 0 HZ3 LYS A 41 0.027 -12.542 1.638 1.00 74.11 H new ATOM 630 N ASN A 42 -0.566 -9.720 8.567 1.00 14.42 N ATOM 631 CA ASN A 42 -1.339 -10.375 9.610 1.00 0.42 C ATOM 632 C ASN A 42 -2.789 -9.916 9.562 1.00 31.34 C ATOM 633 O ASN A 42 -3.070 -8.747 9.303 1.00 3.33 O ATOM 634 CB ASN A 42 -0.738 -10.079 10.987 1.00 3.40 C ATOM 635 CG ASN A 42 0.568 -10.812 11.232 1.00 62.30 C ATOM 636 OD1 ASN A 42 0.753 -11.948 10.793 1.00 2.50 O ATOM 637 ND2 ASN A 42 1.488 -10.163 11.927 1.00 31.32 N ATOM 0 H ASN A 42 -0.677 -8.707 8.529 1.00 14.42 H new ATOM 0 HA ASN A 42 -1.306 -11.451 9.439 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -0.570 -9.006 11.081 1.00 3.40 H new ATOM 0 HB3 ASN A 42 -1.456 -10.358 11.759 1.00 3.40 H new ATOM 0 HD21 ASN A 42 2.389 -10.603 12.116 1.00 31.32 H new ATOM 0 HD22 ASN A 42 1.297 -9.223 12.274 1.00 31.32 H new ATOM 644 N PRO A 43 -3.730 -10.839 9.813 1.00 31.23 N ATOM 645 CA PRO A 43 -5.165 -10.547 9.791 1.00 5.13 C ATOM 646 C PRO A 43 -5.637 -9.782 11.029 1.00 43.03 C ATOM 647 O PRO A 43 -6.225 -8.703 10.915 1.00 41.34 O ATOM 648 CB PRO A 43 -5.823 -11.936 9.743 1.00 1.33 C ATOM 649 CG PRO A 43 -4.709 -12.913 9.539 1.00 63.03 C ATOM 650 CD PRO A 43 -3.477 -12.256 10.082 1.00 42.01 C ATOM 0 HA PRO A 43 -5.424 -9.906 8.948 1.00 5.13 H new ATOM 0 HB2 PRO A 43 -6.361 -12.145 10.668 1.00 1.33 H new ATOM 0 HB3 PRO A 43 -6.548 -11.996 8.932 1.00 1.33 H new ATOM 0 HG2 PRO A 43 -4.912 -13.850 10.058 1.00 63.03 H new ATOM 0 HG3 PRO A 43 -4.589 -13.153 8.483 1.00 63.03 H new ATOM 0 HD2 PRO A 43 -3.349 -12.451 11.147 1.00 42.01 H new ATOM 0 HD3 PRO A 43 -2.575 -12.609 9.583 1.00 42.01 H new ATOM 658 N ALA A 44 -5.376 -10.331 12.211 1.00 64.31 N ATOM 659 CA ALA A 44 -5.826 -9.707 13.454 1.00 73.13 C ATOM 660 C ALA A 44 -4.925 -8.541 13.836 1.00 31.10 C ATOM 661 O ALA A 44 -5.344 -7.611 14.524 1.00 14.31 O ATOM 662 CB ALA A 44 -5.876 -10.731 14.581 1.00 34.20 C ATOM 0 H ALA A 44 -4.859 -11.201 12.336 1.00 64.31 H new ATOM 0 HA ALA A 44 -6.832 -9.321 13.291 1.00 73.13 H new ATOM 0 HB1 ALA A 44 -6.213 -10.247 15.498 1.00 34.20 H new ATOM 0 HB2 ALA A 44 -6.569 -11.530 14.316 1.00 34.20 H new ATOM 0 HB3 ALA A 44 -4.882 -11.150 14.736 1.00 34.20 H new ATOM 668 N ALA A 45 -3.694 -8.584 13.357 1.00 32.52 N ATOM 669 CA ALA A 45 -2.704 -7.564 13.674 1.00 53.34 C ATOM 670 C ALA A 45 -2.792 -6.384 12.711 1.00 62.12 C ATOM 671 O ALA A 45 -1.923 -5.523 12.712 1.00 62.02 O ATOM 672 CB ALA A 45 -1.306 -8.159 13.666 1.00 61.11 C ATOM 0 H ALA A 45 -3.352 -9.321 12.741 1.00 32.52 H new ATOM 0 HA ALA A 45 -2.918 -7.191 14.675 1.00 53.34 H new ATOM 0 HB1 ALA A 45 -0.579 -7.383 13.905 1.00 61.11 H new ATOM 0 HB2 ALA A 45 -1.245 -8.954 14.409 1.00 61.11 H new ATOM 0 HB3 ALA A 45 -1.090 -8.567 12.679 1.00 61.11 H new ATOM 678 N ALA A 46 -3.836 -6.369 11.879 1.00 3.13 N ATOM 679 CA ALA A 46 -4.040 -5.312 10.878 1.00 71.22 C ATOM 680 C ALA A 46 -3.892 -3.901 11.462 1.00 2.30 C ATOM 681 O ALA A 46 -3.558 -2.962 10.745 1.00 65.30 O ATOM 682 CB ALA A 46 -5.407 -5.464 10.228 1.00 44.22 C ATOM 0 H ALA A 46 -4.563 -7.085 11.878 1.00 3.13 H new ATOM 0 HA ALA A 46 -3.257 -5.431 10.129 1.00 71.22 H new ATOM 0 HB1 ALA A 46 -5.548 -4.676 9.488 1.00 44.22 H new ATOM 0 HB2 ALA A 46 -5.471 -6.436 9.739 1.00 44.22 H new ATOM 0 HB3 ALA A 46 -6.183 -5.389 10.990 1.00 44.22 H new ATOM 688 N THR A 47 -4.162 -3.749 12.755 1.00 10.22 N ATOM 689 CA THR A 47 -3.945 -2.479 13.434 1.00 34.34 C ATOM 690 C THR A 47 -2.470 -2.326 13.808 1.00 74.02 C ATOM 691 O THR A 47 -1.807 -1.372 13.396 1.00 73.32 O ATOM 692 CB THR A 47 -4.822 -2.385 14.696 1.00 44.23 C ATOM 693 OG1 THR A 47 -4.730 -3.608 15.446 1.00 4.21 O ATOM 694 CG2 THR A 47 -6.271 -2.120 14.324 1.00 12.14 C ATOM 0 H THR A 47 -4.531 -4.489 13.352 1.00 10.22 H new ATOM 0 HA THR A 47 -4.224 -1.673 12.756 1.00 34.34 H new ATOM 0 HB THR A 47 -4.462 -1.556 15.306 1.00 44.23 H new ATOM 0 HG1 THR A 47 -5.288 -3.542 16.249 1.00 4.21 H new ATOM 0 HG21 THR A 47 -6.874 -2.057 15.230 1.00 12.14 H new ATOM 0 HG22 THR A 47 -6.340 -1.180 13.776 1.00 12.14 H new ATOM 0 HG23 THR A 47 -6.640 -2.932 13.698 1.00 12.14 H new ATOM 702 N MET A 48 -1.996 -3.275 14.614 1.00 10.04 N ATOM 703 CA MET A 48 -0.581 -3.450 14.955 1.00 53.02 C ATOM 704 C MET A 48 -0.045 -2.312 15.814 1.00 53.31 C ATOM 705 O MET A 48 0.254 -2.502 16.993 1.00 72.14 O ATOM 706 CB MET A 48 0.279 -3.613 13.694 1.00 22.24 C ATOM 707 CG MET A 48 1.731 -4.006 13.961 1.00 15.11 C ATOM 708 SD MET A 48 1.934 -5.715 14.531 1.00 30.44 S ATOM 709 CE MET A 48 1.373 -5.627 16.229 1.00 43.55 C ATOM 0 H MET A 48 -2.601 -3.964 15.061 1.00 10.04 H new ATOM 0 HA MET A 48 -0.517 -4.365 15.545 1.00 53.02 H new ATOM 0 HB2 MET A 48 -0.177 -4.369 13.055 1.00 22.24 H new ATOM 0 HB3 MET A 48 0.266 -2.676 13.138 1.00 22.24 H new ATOM 0 HG2 MET A 48 2.309 -3.867 13.048 1.00 15.11 H new ATOM 0 HG3 MET A 48 2.149 -3.332 14.709 1.00 15.11 H new ATOM 0 HE1 MET A 48 1.998 -6.267 16.852 1.00 43.55 H new ATOM 0 HE2 MET A 48 1.442 -4.598 16.582 1.00 43.55 H new ATOM 0 HE3 MET A 48 0.338 -5.962 16.288 1.00 43.55 H new ATOM 719 N ARG A 49 0.059 -1.137 15.229 1.00 54.21 N ATOM 720 CA ARG A 49 0.713 -0.020 15.893 1.00 13.04 C ATOM 721 C ARG A 49 -0.305 0.993 16.399 1.00 2.35 C ATOM 722 O ARG A 49 -0.723 0.928 17.554 1.00 22.03 O ATOM 723 CB ARG A 49 1.726 0.659 14.965 1.00 23.14 C ATOM 724 CG ARG A 49 2.702 -0.307 14.309 1.00 72.00 C ATOM 725 CD ARG A 49 4.061 0.335 14.075 1.00 75.11 C ATOM 726 NE ARG A 49 3.975 1.596 13.341 1.00 62.13 N ATOM 727 CZ ARG A 49 4.669 2.687 13.667 1.00 44.14 C ATOM 728 NH1 ARG A 49 5.474 2.679 14.724 1.00 74.30 N ATOM 729 NH2 ARG A 49 4.558 3.781 12.935 1.00 54.00 N ATOM 0 H ARG A 49 -0.299 -0.927 14.297 1.00 54.21 H new ATOM 0 HA ARG A 49 1.251 -0.421 16.752 1.00 13.04 H new ATOM 0 HB2 ARG A 49 1.187 1.200 14.187 1.00 23.14 H new ATOM 0 HB3 ARG A 49 2.289 1.398 15.535 1.00 23.14 H new ATOM 0 HG2 ARG A 49 2.820 -1.188 14.939 1.00 72.00 H new ATOM 0 HG3 ARG A 49 2.292 -0.648 13.358 1.00 72.00 H new ATOM 0 HD2 ARG A 49 4.544 0.512 15.036 1.00 75.11 H new ATOM 0 HD3 ARG A 49 4.695 -0.359 13.523 1.00 75.11 H new ATOM 0 HE ARG A 49 3.350 1.644 12.536 1.00 62.13 H new ATOM 0 HH11 ARG A 49 5.563 1.836 15.291 1.00 74.30 H new ATOM 0 HH12 ARG A 49 6.003 3.516 14.969 1.00 74.30 H new ATOM 0 HH21 ARG A 49 3.942 3.790 12.122 1.00 54.00 H new ATOM 0 HH22 ARG A 49 5.088 4.616 13.183 1.00 54.00 H new ATOM 743 N ASN A 50 -0.713 1.917 15.537 1.00 25.10 N ATOM 744 CA ASN A 50 -1.684 2.942 15.919 1.00 34.12 C ATOM 745 C ASN A 50 -2.250 3.645 14.688 1.00 33.13 C ATOM 746 O ASN A 50 -3.468 3.706 14.504 1.00 21.41 O ATOM 747 CB ASN A 50 -1.064 3.966 16.896 1.00 22.23 C ATOM 748 CG ASN A 50 0.135 4.714 16.329 1.00 64.31 C ATOM 749 OD1 ASN A 50 0.880 4.195 15.499 1.00 21.31 O ATOM 750 ND2 ASN A 50 0.335 5.944 16.780 1.00 43.41 N ATOM 0 H ASN A 50 -0.389 1.980 14.572 1.00 25.10 H new ATOM 0 HA ASN A 50 -2.505 2.443 16.434 1.00 34.12 H new ATOM 0 HB2 ASN A 50 -1.828 4.689 17.182 1.00 22.23 H new ATOM 0 HB3 ASN A 50 -0.759 3.447 17.805 1.00 22.23 H new ATOM 0 HD21 ASN A 50 1.126 6.490 16.439 1.00 43.41 H new ATOM 0 HD22 ASN A 50 -0.302 6.345 17.468 1.00 43.41 H new ATOM 757 N VAL A 51 -1.374 4.163 13.836 1.00 35.42 N ATOM 758 CA VAL A 51 -1.806 4.855 12.630 1.00 13.22 C ATOM 759 C VAL A 51 -2.312 3.848 11.601 1.00 52.12 C ATOM 760 O VAL A 51 -3.312 4.087 10.921 1.00 72.22 O ATOM 761 CB VAL A 51 -0.672 5.707 12.020 1.00 15.10 C ATOM 762 CG1 VAL A 51 -1.187 6.525 10.844 1.00 65.43 C ATOM 763 CG2 VAL A 51 -0.057 6.617 13.075 1.00 11.31 C ATOM 0 H VAL A 51 -0.362 4.117 13.958 1.00 35.42 H new ATOM 0 HA VAL A 51 -2.615 5.530 12.909 1.00 13.22 H new ATOM 0 HB VAL A 51 0.102 5.032 11.655 1.00 15.10 H new ATOM 0 HG11 VAL A 51 -0.372 7.118 10.429 1.00 65.43 H new ATOM 0 HG12 VAL A 51 -1.576 5.855 10.077 1.00 65.43 H new ATOM 0 HG13 VAL A 51 -1.983 7.189 11.183 1.00 65.43 H new ATOM 0 HG21 VAL A 51 0.740 7.209 12.625 1.00 11.31 H new ATOM 0 HG22 VAL A 51 -0.823 7.283 13.473 1.00 11.31 H new ATOM 0 HG23 VAL A 51 0.353 6.012 13.883 1.00 11.31 H new ATOM 773 N ALA A 52 -1.620 2.717 11.504 1.00 30.35 N ATOM 774 CA ALA A 52 -2.055 1.610 10.659 1.00 13.14 C ATOM 775 C ALA A 52 -3.453 1.136 11.051 1.00 52.01 C ATOM 776 O ALA A 52 -4.170 0.555 10.240 1.00 1.21 O ATOM 777 CB ALA A 52 -1.064 0.460 10.736 1.00 71.33 C ATOM 0 H ALA A 52 -0.749 2.543 12.005 1.00 30.35 H new ATOM 0 HA ALA A 52 -2.095 1.968 9.630 1.00 13.14 H new ATOM 0 HB1 ALA A 52 -1.404 -0.357 10.100 1.00 71.33 H new ATOM 0 HB2 ALA A 52 -0.085 0.800 10.398 1.00 71.33 H new ATOM 0 HB3 ALA A 52 -0.991 0.111 11.766 1.00 71.33 H new ATOM 783 N GLY A 53 -3.839 1.399 12.295 1.00 11.15 N ATOM 784 CA GLY A 53 -5.180 1.079 12.738 1.00 34.14 C ATOM 785 C GLY A 53 -6.228 1.849 11.956 1.00 4.44 C ATOM 786 O GLY A 53 -7.301 1.328 11.650 1.00 13.32 O ATOM 0 H GLY A 53 -3.245 1.829 13.004 1.00 11.15 H new ATOM 0 HA2 GLY A 53 -5.355 0.009 12.625 1.00 34.14 H new ATOM 0 HA3 GLY A 53 -5.277 1.308 13.799 1.00 34.14 H new ATOM 790 N GLU A 54 -5.910 3.096 11.631 1.00 20.32 N ATOM 791 CA GLU A 54 -6.777 3.919 10.799 1.00 43.42 C ATOM 792 C GLU A 54 -6.729 3.426 9.358 1.00 43.04 C ATOM 793 O GLU A 54 -7.739 3.421 8.651 1.00 4.11 O ATOM 794 CB GLU A 54 -6.348 5.388 10.867 1.00 5.33 C ATOM 795 CG GLU A 54 -6.399 5.972 12.270 1.00 73.33 C ATOM 796 CD GLU A 54 -7.781 5.887 12.883 1.00 32.23 C ATOM 797 OE1 GLU A 54 -8.618 6.772 12.602 1.00 60.13 O ATOM 798 OE2 GLU A 54 -8.039 4.932 13.647 1.00 73.24 O ATOM 0 H GLU A 54 -5.054 3.561 11.933 1.00 20.32 H new ATOM 0 HA GLU A 54 -7.799 3.840 11.171 1.00 43.42 H new ATOM 0 HB2 GLU A 54 -5.333 5.480 10.481 1.00 5.33 H new ATOM 0 HB3 GLU A 54 -6.992 5.977 10.214 1.00 5.33 H new ATOM 0 HG2 GLU A 54 -5.690 5.443 12.906 1.00 73.33 H new ATOM 0 HG3 GLU A 54 -6.083 7.015 12.238 1.00 73.33 H new ATOM 805 N ILE A 55 -5.542 2.999 8.941 1.00 61.25 N ATOM 806 CA ILE A 55 -5.328 2.478 7.594 1.00 62.02 C ATOM 807 C ILE A 55 -6.147 1.209 7.362 1.00 13.14 C ATOM 808 O ILE A 55 -6.698 1.007 6.282 1.00 73.45 O ATOM 809 CB ILE A 55 -3.830 2.186 7.339 1.00 64.22 C ATOM 810 CG1 ILE A 55 -3.019 3.481 7.439 1.00 62.23 C ATOM 811 CG2 ILE A 55 -3.624 1.529 5.981 1.00 65.31 C ATOM 812 CD1 ILE A 55 -1.533 3.290 7.220 1.00 61.42 C ATOM 0 H ILE A 55 -4.704 3.004 9.523 1.00 61.25 H new ATOM 0 HA ILE A 55 -5.658 3.244 6.893 1.00 62.02 H new ATOM 0 HB ILE A 55 -3.480 1.491 8.102 1.00 64.22 H new ATOM 0 HG12 ILE A 55 -3.396 4.193 6.705 1.00 62.23 H new ATOM 0 HG13 ILE A 55 -3.178 3.923 8.423 1.00 62.23 H new ATOM 0 HG21 ILE A 55 -2.562 1.335 5.828 1.00 65.31 H new ATOM 0 HG22 ILE A 55 -4.174 0.588 5.945 1.00 65.31 H new ATOM 0 HG23 ILE A 55 -3.988 2.193 5.197 1.00 65.31 H new ATOM 0 HD11 ILE A 55 -1.026 4.251 7.306 1.00 61.42 H new ATOM 0 HD12 ILE A 55 -1.140 2.604 7.970 1.00 61.42 H new ATOM 0 HD13 ILE A 55 -1.362 2.877 6.226 1.00 61.42 H new ATOM 824 N ALA A 56 -6.241 0.371 8.391 1.00 15.32 N ATOM 825 CA ALA A 56 -7.023 -0.862 8.319 1.00 22.13 C ATOM 826 C ALA A 56 -8.474 -0.575 7.934 1.00 3.00 C ATOM 827 O ALA A 56 -9.103 -1.352 7.215 1.00 41.40 O ATOM 828 CB ALA A 56 -6.962 -1.597 9.649 1.00 24.55 C ATOM 0 H ALA A 56 -5.783 0.524 9.289 1.00 15.32 H new ATOM 0 HA ALA A 56 -6.591 -1.494 7.543 1.00 22.13 H new ATOM 0 HB1 ALA A 56 -7.548 -2.514 9.585 1.00 24.55 H new ATOM 0 HB2 ALA A 56 -5.926 -1.843 9.881 1.00 24.55 H new ATOM 0 HB3 ALA A 56 -7.369 -0.961 10.435 1.00 24.55 H new ATOM 834 N ALA A 57 -8.998 0.546 8.415 1.00 50.03 N ATOM 835 CA ALA A 57 -10.356 0.958 8.086 1.00 71.30 C ATOM 836 C ALA A 57 -10.414 1.566 6.688 1.00 73.10 C ATOM 837 O ALA A 57 -11.350 1.319 5.928 1.00 62.45 O ATOM 838 CB ALA A 57 -10.879 1.945 9.119 1.00 43.50 C ATOM 0 H ALA A 57 -8.502 1.186 9.035 1.00 50.03 H new ATOM 0 HA ALA A 57 -10.993 0.074 8.099 1.00 71.30 H new ATOM 0 HB1 ALA A 57 -11.895 2.242 8.857 1.00 43.50 H new ATOM 0 HB2 ALA A 57 -10.880 1.476 10.103 1.00 43.50 H new ATOM 0 HB3 ALA A 57 -10.237 2.826 9.138 1.00 43.50 H new ATOM 844 N ALA A 58 -9.398 2.348 6.351 1.00 31.44 N ATOM 845 CA ALA A 58 -9.312 2.985 5.041 1.00 64.23 C ATOM 846 C ALA A 58 -9.172 1.943 3.937 1.00 10.30 C ATOM 847 O ALA A 58 -9.635 2.145 2.813 1.00 10.02 O ATOM 848 CB ALA A 58 -8.141 3.955 5.007 1.00 73.51 C ATOM 0 H ALA A 58 -8.616 2.559 6.971 1.00 31.44 H new ATOM 0 HA ALA A 58 -10.234 3.539 4.867 1.00 64.23 H new ATOM 0 HB1 ALA A 58 -8.086 4.425 4.025 1.00 73.51 H new ATOM 0 HB2 ALA A 58 -8.282 4.722 5.769 1.00 73.51 H new ATOM 0 HB3 ALA A 58 -7.215 3.414 5.203 1.00 73.51 H new ATOM 854 N LEU A 59 -8.533 0.829 4.264 1.00 63.22 N ATOM 855 CA LEU A 59 -8.366 -0.271 3.325 1.00 13.21 C ATOM 856 C LEU A 59 -9.718 -0.860 2.940 1.00 12.33 C ATOM 857 O LEU A 59 -9.924 -1.289 1.805 1.00 22.35 O ATOM 858 CB LEU A 59 -7.484 -1.357 3.939 1.00 21.55 C ATOM 859 CG LEU A 59 -7.085 -2.491 2.991 1.00 45.32 C ATOM 860 CD1 LEU A 59 -6.237 -1.962 1.845 1.00 25.34 C ATOM 861 CD2 LEU A 59 -6.340 -3.577 3.748 1.00 53.10 C ATOM 0 H LEU A 59 -8.118 0.663 5.181 1.00 63.22 H new ATOM 0 HA LEU A 59 -7.886 0.116 2.426 1.00 13.21 H new ATOM 0 HB2 LEU A 59 -6.577 -0.891 4.323 1.00 21.55 H new ATOM 0 HB3 LEU A 59 -8.007 -1.787 4.793 1.00 21.55 H new ATOM 0 HG LEU A 59 -7.994 -2.922 2.571 1.00 45.32 H new ATOM 0 HD11 LEU A 59 -5.965 -2.785 1.184 1.00 25.34 H new ATOM 0 HD12 LEU A 59 -6.805 -1.219 1.285 1.00 25.34 H new ATOM 0 HD13 LEU A 59 -5.333 -1.502 2.244 1.00 25.34 H new ATOM 0 HD21 LEU A 59 -6.063 -4.376 3.060 1.00 53.10 H new ATOM 0 HD22 LEU A 59 -5.440 -3.156 4.196 1.00 53.10 H new ATOM 0 HD23 LEU A 59 -6.981 -3.979 4.532 1.00 53.10 H new ATOM 873 N TYR A 60 -10.646 -0.867 3.889 1.00 22.44 N ATOM 874 CA TYR A 60 -11.979 -1.395 3.640 1.00 55.23 C ATOM 875 C TYR A 60 -12.718 -0.490 2.658 1.00 53.11 C ATOM 876 O TYR A 60 -13.540 -0.952 1.865 1.00 73.30 O ATOM 877 CB TYR A 60 -12.766 -1.523 4.949 1.00 4.15 C ATOM 878 CG TYR A 60 -13.766 -2.659 4.936 1.00 45.24 C ATOM 879 CD1 TYR A 60 -14.922 -2.592 4.169 1.00 34.23 C ATOM 880 CD2 TYR A 60 -13.539 -3.809 5.680 1.00 52.51 C ATOM 881 CE1 TYR A 60 -15.825 -3.637 4.146 1.00 60.45 C ATOM 882 CE2 TYR A 60 -14.435 -4.860 5.662 1.00 1.35 C ATOM 883 CZ TYR A 60 -15.574 -4.768 4.893 1.00 33.31 C ATOM 884 OH TYR A 60 -16.465 -5.817 4.866 1.00 5.22 O ATOM 0 H TYR A 60 -10.500 -0.514 4.835 1.00 22.44 H new ATOM 0 HA TYR A 60 -11.886 -2.390 3.205 1.00 55.23 H new ATOM 0 HB2 TYR A 60 -12.067 -1.672 5.772 1.00 4.15 H new ATOM 0 HB3 TYR A 60 -13.291 -0.588 5.142 1.00 4.15 H new ATOM 0 HD1 TYR A 60 -15.118 -1.708 3.581 1.00 34.23 H new ATOM 0 HD2 TYR A 60 -12.646 -3.883 6.283 1.00 52.51 H new ATOM 0 HE1 TYR A 60 -16.721 -3.568 3.547 1.00 60.45 H new ATOM 0 HE2 TYR A 60 -14.244 -5.748 6.247 1.00 1.35 H new ATOM 0 HH TYR A 60 -16.140 -6.537 5.446 1.00 5.22 H new ATOM 894 N ALA A 61 -12.403 0.801 2.700 1.00 21.24 N ATOM 895 CA ALA A 61 -12.967 1.753 1.755 1.00 23.51 C ATOM 896 C ALA A 61 -12.457 1.462 0.347 1.00 63.31 C ATOM 897 O ALA A 61 -13.155 1.691 -0.640 1.00 12.34 O ATOM 898 CB ALA A 61 -12.627 3.177 2.165 1.00 52.35 C ATOM 0 H ALA A 61 -11.760 1.210 3.379 1.00 21.24 H new ATOM 0 HA ALA A 61 -14.052 1.648 1.759 1.00 23.51 H new ATOM 0 HB1 ALA A 61 -13.057 3.875 1.447 1.00 52.35 H new ATOM 0 HB2 ALA A 61 -13.036 3.378 3.155 1.00 52.35 H new ATOM 0 HB3 ALA A 61 -11.544 3.301 2.187 1.00 52.35 H new ATOM 904 N VAL A 62 -11.236 0.944 0.266 1.00 32.21 N ATOM 905 CA VAL A 62 -10.652 0.554 -1.012 1.00 4.41 C ATOM 906 C VAL A 62 -11.331 -0.709 -1.531 1.00 54.11 C ATOM 907 O VAL A 62 -11.547 -0.866 -2.732 1.00 14.04 O ATOM 908 CB VAL A 62 -9.131 0.306 -0.899 1.00 12.45 C ATOM 909 CG1 VAL A 62 -8.533 -0.001 -2.264 1.00 51.14 C ATOM 910 CG2 VAL A 62 -8.433 1.500 -0.270 1.00 0.41 C ATOM 0 H VAL A 62 -10.631 0.784 1.072 1.00 32.21 H new ATOM 0 HA VAL A 62 -10.810 1.378 -1.708 1.00 4.41 H new ATOM 0 HB VAL A 62 -8.978 -0.559 -0.253 1.00 12.45 H new ATOM 0 HG11 VAL A 62 -7.461 -0.172 -2.162 1.00 51.14 H new ATOM 0 HG12 VAL A 62 -9.005 -0.893 -2.676 1.00 51.14 H new ATOM 0 HG13 VAL A 62 -8.703 0.842 -2.934 1.00 51.14 H new ATOM 0 HG21 VAL A 62 -7.363 1.301 -0.201 1.00 0.41 H new ATOM 0 HG22 VAL A 62 -8.599 2.384 -0.885 1.00 0.41 H new ATOM 0 HG23 VAL A 62 -8.835 1.672 0.728 1.00 0.41 H new ATOM 920 N LYS A 63 -11.677 -1.603 -0.611 1.00 43.12 N ATOM 921 CA LYS A 63 -12.419 -2.810 -0.958 1.00 4.11 C ATOM 922 C LYS A 63 -13.777 -2.417 -1.543 1.00 4.23 C ATOM 923 O LYS A 63 -14.239 -3.001 -2.523 1.00 3.13 O ATOM 924 CB LYS A 63 -12.587 -3.706 0.288 1.00 32.32 C ATOM 925 CG LYS A 63 -13.149 -5.101 0.007 1.00 75.24 C ATOM 926 CD LYS A 63 -14.660 -5.089 -0.161 1.00 20.04 C ATOM 927 CE LYS A 63 -15.201 -6.463 -0.531 1.00 20.02 C ATOM 928 NZ LYS A 63 -15.072 -7.446 0.581 1.00 22.54 N ATOM 0 H LYS A 63 -11.456 -1.515 0.381 1.00 43.12 H new ATOM 0 HA LYS A 63 -11.868 -3.379 -1.707 1.00 4.11 H new ATOM 0 HB2 LYS A 63 -11.617 -3.812 0.775 1.00 32.32 H new ATOM 0 HB3 LYS A 63 -13.245 -3.201 0.995 1.00 32.32 H new ATOM 0 HG2 LYS A 63 -12.688 -5.501 -0.896 1.00 75.24 H new ATOM 0 HG3 LYS A 63 -12.881 -5.770 0.825 1.00 75.24 H new ATOM 0 HD2 LYS A 63 -15.126 -4.753 0.765 1.00 20.04 H new ATOM 0 HD3 LYS A 63 -14.934 -4.371 -0.934 1.00 20.04 H new ATOM 0 HE2 LYS A 63 -16.250 -6.373 -0.812 1.00 20.02 H new ATOM 0 HE3 LYS A 63 -14.668 -6.836 -1.405 1.00 20.02 H new ATOM 0 HZ1 LYS A 63 -15.500 -8.350 0.297 1.00 22.54 H new ATOM 0 HZ2 LYS A 63 -14.066 -7.593 0.799 1.00 22.54 H new ATOM 0 HZ3 LYS A 63 -15.560 -7.082 1.424 1.00 22.54 H new ATOM 942 N LYS A 64 -14.387 -1.400 -0.944 1.00 41.41 N ATOM 943 CA LYS A 64 -15.672 -0.875 -1.395 1.00 75.41 C ATOM 944 C LYS A 64 -15.576 -0.307 -2.814 1.00 71.42 C ATOM 945 O LYS A 64 -16.538 -0.367 -3.583 1.00 60.35 O ATOM 946 CB LYS A 64 -16.145 0.216 -0.429 1.00 50.51 C ATOM 947 CG LYS A 64 -17.374 0.979 -0.903 1.00 61.40 C ATOM 948 CD LYS A 64 -17.662 2.176 -0.009 1.00 50.01 C ATOM 949 CE LYS A 64 -18.172 1.756 1.358 1.00 64.22 C ATOM 950 NZ LYS A 64 -19.525 1.147 1.278 1.00 64.22 N ATOM 0 H LYS A 64 -14.005 -0.916 -0.132 1.00 41.41 H new ATOM 0 HA LYS A 64 -16.391 -1.694 -1.410 1.00 75.41 H new ATOM 0 HB2 LYS A 64 -16.364 -0.240 0.537 1.00 50.51 H new ATOM 0 HB3 LYS A 64 -15.331 0.923 -0.271 1.00 50.51 H new ATOM 0 HG2 LYS A 64 -17.222 1.317 -1.928 1.00 61.40 H new ATOM 0 HG3 LYS A 64 -18.237 0.313 -0.912 1.00 61.40 H new ATOM 0 HD2 LYS A 64 -16.754 2.767 0.109 1.00 50.01 H new ATOM 0 HD3 LYS A 64 -18.400 2.818 -0.490 1.00 50.01 H new ATOM 0 HE2 LYS A 64 -17.478 1.042 1.802 1.00 64.22 H new ATOM 0 HE3 LYS A 64 -18.202 2.624 2.017 1.00 64.22 H new ATOM 0 HZ1 LYS A 64 -19.944 1.107 2.229 1.00 64.22 H new ATOM 0 HZ2 LYS A 64 -20.129 1.723 0.657 1.00 64.22 H new ATOM 0 HZ3 LYS A 64 -19.450 0.184 0.892 1.00 64.22 H new ATOM 964 N ALA A 65 -14.408 0.225 -3.158 1.00 74.14 N ATOM 965 CA ALA A 65 -14.200 0.877 -4.449 1.00 2.52 C ATOM 966 C ALA A 65 -14.493 -0.061 -5.621 1.00 5.01 C ATOM 967 O ALA A 65 -14.892 0.389 -6.697 1.00 13.21 O ATOM 968 CB ALA A 65 -12.783 1.417 -4.547 1.00 12.10 C ATOM 0 H ALA A 65 -13.584 0.218 -2.557 1.00 74.14 H new ATOM 0 HA ALA A 65 -14.905 1.706 -4.511 1.00 2.52 H new ATOM 0 HB1 ALA A 65 -12.644 1.900 -5.514 1.00 12.10 H new ATOM 0 HB2 ALA A 65 -12.614 2.143 -3.752 1.00 12.10 H new ATOM 0 HB3 ALA A 65 -12.073 0.596 -4.446 1.00 12.10 H new ATOM 974 N SER A 66 -14.309 -1.361 -5.404 1.00 70.40 N ATOM 975 CA SER A 66 -14.555 -2.358 -6.441 1.00 71.13 C ATOM 976 C SER A 66 -16.020 -2.336 -6.878 1.00 40.11 C ATOM 977 O SER A 66 -16.333 -2.547 -8.051 1.00 52.12 O ATOM 978 CB SER A 66 -14.177 -3.752 -5.934 1.00 22.04 C ATOM 979 OG SER A 66 -14.949 -4.114 -4.801 1.00 55.04 O ATOM 0 H SER A 66 -13.989 -1.749 -4.516 1.00 70.40 H new ATOM 0 HA SER A 66 -13.935 -2.115 -7.304 1.00 71.13 H new ATOM 0 HB2 SER A 66 -14.327 -4.483 -6.728 1.00 22.04 H new ATOM 0 HB3 SER A 66 -13.118 -3.773 -5.677 1.00 22.04 H new ATOM 0 HG SER A 66 -14.713 -3.536 -4.046 1.00 55.04 H new ATOM 985 N GLN A 67 -16.906 -2.063 -5.926 1.00 60.13 N ATOM 986 CA GLN A 67 -18.332 -2.019 -6.185 1.00 53.24 C ATOM 987 C GLN A 67 -18.693 -0.810 -7.036 1.00 14.03 C ATOM 988 O GLN A 67 -19.549 -0.891 -7.917 1.00 61.12 O ATOM 989 CB GLN A 67 -19.083 -1.966 -4.861 1.00 33.12 C ATOM 990 CG GLN A 67 -18.947 -3.231 -4.030 1.00 62.04 C ATOM 991 CD GLN A 67 -19.598 -3.104 -2.666 1.00 30.31 C ATOM 992 OE1 GLN A 67 -20.559 -2.353 -2.489 1.00 15.44 O ATOM 993 NE2 GLN A 67 -19.087 -3.841 -1.692 1.00 64.33 N ATOM 0 H GLN A 67 -16.652 -1.867 -4.958 1.00 60.13 H new ATOM 0 HA GLN A 67 -18.616 -2.917 -6.734 1.00 53.24 H new ATOM 0 HB2 GLN A 67 -18.718 -1.119 -4.280 1.00 33.12 H new ATOM 0 HB3 GLN A 67 -20.139 -1.784 -5.060 1.00 33.12 H new ATOM 0 HG2 GLN A 67 -19.398 -4.065 -4.568 1.00 62.04 H new ATOM 0 HG3 GLN A 67 -17.890 -3.467 -3.904 1.00 62.04 H new ATOM 0 HE21 GLN A 67 -18.291 -4.451 -1.878 1.00 64.33 H new ATOM 0 HE22 GLN A 67 -19.490 -3.799 -0.756 1.00 64.33 H new ATOM 1002 N LEU A 68 -18.031 0.308 -6.772 1.00 44.13 N ATOM 1003 CA LEU A 68 -18.297 1.542 -7.500 1.00 34.24 C ATOM 1004 C LEU A 68 -17.613 1.524 -8.862 1.00 71.42 C ATOM 1005 O LEU A 68 -18.049 2.197 -9.794 1.00 73.11 O ATOM 1006 CB LEU A 68 -17.836 2.767 -6.697 1.00 23.40 C ATOM 1007 CG LEU A 68 -18.726 3.169 -5.514 1.00 2.25 C ATOM 1008 CD1 LEU A 68 -18.668 2.135 -4.398 1.00 63.13 C ATOM 1009 CD2 LEU A 68 -18.314 4.535 -4.992 1.00 40.10 C ATOM 0 H LEU A 68 -17.306 0.386 -6.059 1.00 44.13 H new ATOM 0 HA LEU A 68 -19.374 1.612 -7.649 1.00 34.24 H new ATOM 0 HB2 LEU A 68 -16.831 2.573 -6.321 1.00 23.40 H new ATOM 0 HB3 LEU A 68 -17.764 3.616 -7.377 1.00 23.40 H new ATOM 0 HG LEU A 68 -19.756 3.218 -5.868 1.00 2.25 H new ATOM 0 HD11 LEU A 68 -19.310 2.451 -3.576 1.00 63.13 H new ATOM 0 HD12 LEU A 68 -19.010 1.172 -4.776 1.00 63.13 H new ATOM 0 HD13 LEU A 68 -17.642 2.041 -4.042 1.00 63.13 H new ATOM 0 HD21 LEU A 68 -18.952 4.811 -4.152 1.00 40.10 H new ATOM 0 HD22 LEU A 68 -17.275 4.501 -4.663 1.00 40.10 H new ATOM 0 HD23 LEU A 68 -18.419 5.275 -5.786 1.00 40.10 H new ATOM 1021 N GLY A 69 -16.545 0.747 -8.966 1.00 62.12 N ATOM 1022 CA GLY A 69 -15.828 0.632 -10.220 1.00 74.31 C ATOM 1023 C GLY A 69 -14.763 1.698 -10.366 1.00 24.50 C ATOM 1024 O GLY A 69 -14.394 2.072 -11.480 1.00 3.13 O ATOM 0 H GLY A 69 -16.161 0.192 -8.201 1.00 62.12 H new ATOM 0 HA2 GLY A 69 -15.366 -0.353 -10.284 1.00 74.31 H new ATOM 0 HA3 GLY A 69 -16.532 0.708 -11.048 1.00 74.31 H new ATOM 1028 N VAL A 70 -14.275 2.195 -9.239 1.00 15.04 N ATOM 1029 CA VAL A 70 -13.238 3.213 -9.243 1.00 13.21 C ATOM 1030 C VAL A 70 -11.940 2.641 -8.694 1.00 32.23 C ATOM 1031 O VAL A 70 -11.951 1.819 -7.778 1.00 74.12 O ATOM 1032 CB VAL A 70 -13.651 4.458 -8.425 1.00 45.32 C ATOM 1033 CG1 VAL A 70 -14.805 5.181 -9.105 1.00 64.35 C ATOM 1034 CG2 VAL A 70 -14.029 4.077 -7.000 1.00 51.45 C ATOM 0 H VAL A 70 -14.582 1.909 -8.309 1.00 15.04 H new ATOM 0 HA VAL A 70 -13.091 3.527 -10.276 1.00 13.21 H new ATOM 0 HB VAL A 70 -12.795 5.131 -8.379 1.00 45.32 H new ATOM 0 HG11 VAL A 70 -15.084 6.055 -8.517 1.00 64.35 H new ATOM 0 HG12 VAL A 70 -14.499 5.497 -10.102 1.00 64.35 H new ATOM 0 HG13 VAL A 70 -15.660 4.509 -9.184 1.00 64.35 H new ATOM 0 HG21 VAL A 70 -14.315 4.972 -6.448 1.00 51.45 H new ATOM 0 HG22 VAL A 70 -14.867 3.380 -7.020 1.00 51.45 H new ATOM 0 HG23 VAL A 70 -13.176 3.606 -6.511 1.00 51.45 H new ATOM 1044 N LYS A 71 -10.826 3.061 -9.266 1.00 62.12 N ATOM 1045 CA LYS A 71 -9.531 2.536 -8.869 1.00 34.01 C ATOM 1046 C LYS A 71 -8.652 3.657 -8.347 1.00 2.22 C ATOM 1047 O LYS A 71 -8.819 4.814 -8.733 1.00 72.14 O ATOM 1048 CB LYS A 71 -8.845 1.864 -10.057 1.00 1.40 C ATOM 1049 CG LYS A 71 -9.732 0.888 -10.804 1.00 31.52 C ATOM 1050 CD LYS A 71 -9.023 0.318 -12.016 1.00 14.24 C ATOM 1051 CE LYS A 71 -9.999 -0.399 -12.929 1.00 55.10 C ATOM 1052 NZ LYS A 71 -9.336 -0.961 -14.132 1.00 54.34 N ATOM 0 H LYS A 71 -10.791 3.763 -10.006 1.00 62.12 H new ATOM 0 HA LYS A 71 -9.684 1.799 -8.080 1.00 34.01 H new ATOM 0 HB2 LYS A 71 -8.503 2.633 -10.750 1.00 1.40 H new ATOM 0 HB3 LYS A 71 -7.959 1.337 -9.703 1.00 1.40 H new ATOM 0 HG2 LYS A 71 -10.027 0.077 -10.138 1.00 31.52 H new ATOM 0 HG3 LYS A 71 -10.647 1.391 -11.118 1.00 31.52 H new ATOM 0 HD2 LYS A 71 -8.529 1.121 -12.564 1.00 14.24 H new ATOM 0 HD3 LYS A 71 -8.245 -0.374 -11.694 1.00 14.24 H new ATOM 0 HE2 LYS A 71 -10.486 -1.202 -12.377 1.00 55.10 H new ATOM 0 HE3 LYS A 71 -10.781 0.295 -13.238 1.00 55.10 H new ATOM 0 HZ1 LYS A 71 -10.042 -1.441 -14.725 1.00 54.34 H new ATOM 0 HZ2 LYS A 71 -8.893 -0.193 -14.675 1.00 54.34 H new ATOM 0 HZ3 LYS A 71 -8.608 -1.644 -13.840 1.00 54.34 H new ATOM 1066 N ILE A 72 -7.709 3.316 -7.486 1.00 1.42 N ATOM 1067 CA ILE A 72 -6.781 4.299 -6.957 1.00 60.23 C ATOM 1068 C ILE A 72 -5.374 3.980 -7.439 1.00 42.11 C ATOM 1069 O ILE A 72 -5.024 2.814 -7.627 1.00 71.53 O ATOM 1070 CB ILE A 72 -6.833 4.387 -5.406 1.00 24.45 C ATOM 1071 CG1 ILE A 72 -6.543 3.031 -4.749 1.00 74.02 C ATOM 1072 CG2 ILE A 72 -8.188 4.915 -4.952 1.00 2.41 C ATOM 1073 CD1 ILE A 72 -5.085 2.817 -4.397 1.00 55.20 C ATOM 0 H ILE A 72 -7.566 2.367 -7.139 1.00 1.42 H new ATOM 0 HA ILE A 72 -7.079 5.279 -7.331 1.00 60.23 H new ATOM 0 HB ILE A 72 -6.054 5.080 -5.089 1.00 24.45 H new ATOM 0 HG12 ILE A 72 -7.142 2.942 -3.843 1.00 74.02 H new ATOM 0 HG13 ILE A 72 -6.864 2.236 -5.422 1.00 74.02 H new ATOM 0 HG21 ILE A 72 -8.210 4.971 -3.864 1.00 2.41 H new ATOM 0 HG22 ILE A 72 -8.350 5.908 -5.370 1.00 2.41 H new ATOM 0 HG23 ILE A 72 -8.974 4.243 -5.297 1.00 2.41 H new ATOM 0 HD11 ILE A 72 -4.962 1.836 -3.937 1.00 55.20 H new ATOM 0 HD12 ILE A 72 -4.480 2.872 -5.302 1.00 55.20 H new ATOM 0 HD13 ILE A 72 -4.762 3.589 -3.698 1.00 55.20 H new ATOM 1085 N ARG A 73 -4.579 5.010 -7.668 1.00 42.15 N ATOM 1086 CA ARG A 73 -3.253 4.819 -8.231 1.00 55.54 C ATOM 1087 C ARG A 73 -2.165 5.162 -7.223 1.00 1.24 C ATOM 1088 O ARG A 73 -1.887 6.337 -6.966 1.00 33.43 O ATOM 1089 CB ARG A 73 -3.072 5.657 -9.505 1.00 44.01 C ATOM 1090 CG ARG A 73 -3.608 5.000 -10.773 1.00 60.12 C ATOM 1091 CD ARG A 73 -5.122 4.877 -10.769 1.00 50.32 C ATOM 1092 NE ARG A 73 -5.620 4.210 -11.971 1.00 65.03 N ATOM 1093 CZ ARG A 73 -6.899 4.207 -12.345 1.00 11.10 C ATOM 1094 NH1 ARG A 73 -7.807 4.866 -11.631 1.00 41.31 N ATOM 1095 NH2 ARG A 73 -7.268 3.556 -13.438 1.00 34.21 N ATOM 0 H ARG A 73 -4.825 5.981 -7.475 1.00 42.15 H new ATOM 0 HA ARG A 73 -3.160 3.764 -8.488 1.00 55.54 H new ATOM 0 HB2 ARG A 73 -3.572 6.616 -9.368 1.00 44.01 H new ATOM 0 HB3 ARG A 73 -2.011 5.867 -9.640 1.00 44.01 H new ATOM 0 HG2 ARG A 73 -3.296 5.583 -11.640 1.00 60.12 H new ATOM 0 HG3 ARG A 73 -3.166 4.009 -10.879 1.00 60.12 H new ATOM 0 HD2 ARG A 73 -5.438 4.319 -9.887 1.00 50.32 H new ATOM 0 HD3 ARG A 73 -5.566 5.870 -10.695 1.00 50.32 H new ATOM 0 HE ARG A 73 -4.948 3.717 -12.559 1.00 65.03 H new ATOM 0 HH11 ARG A 73 -7.525 5.376 -10.794 1.00 41.31 H new ATOM 0 HH12 ARG A 73 -8.785 4.861 -11.921 1.00 41.31 H new ATOM 0 HH21 ARG A 73 -6.573 3.057 -13.993 1.00 34.21 H new ATOM 0 HH22 ARG A 73 -8.247 3.554 -13.724 1.00 34.21 H new ATOM 1109 N ILE A 74 -1.569 4.130 -6.641 1.00 31.54 N ATOM 1110 CA ILE A 74 -0.400 4.299 -5.800 1.00 41.22 C ATOM 1111 C ILE A 74 0.840 4.324 -6.684 1.00 12.22 C ATOM 1112 O ILE A 74 1.008 3.456 -7.540 1.00 40.32 O ATOM 1113 CB ILE A 74 -0.286 3.185 -4.722 1.00 23.12 C ATOM 1114 CG1 ILE A 74 -0.185 1.792 -5.352 1.00 71.14 C ATOM 1115 CG2 ILE A 74 -1.471 3.244 -3.770 1.00 33.24 C ATOM 1116 CD1 ILE A 74 1.228 1.244 -5.395 1.00 14.22 C ATOM 0 H ILE A 74 -1.881 3.164 -6.739 1.00 31.54 H new ATOM 0 HA ILE A 74 -0.494 5.242 -5.261 1.00 41.22 H new ATOM 0 HB ILE A 74 0.632 3.364 -4.163 1.00 23.12 H new ATOM 0 HG12 ILE A 74 -0.816 1.103 -4.791 1.00 71.14 H new ATOM 0 HG13 ILE A 74 -0.581 1.832 -6.367 1.00 71.14 H new ATOM 0 HG21 ILE A 74 -1.376 2.457 -3.021 1.00 33.24 H new ATOM 0 HG22 ILE A 74 -1.492 4.215 -3.275 1.00 33.24 H new ATOM 0 HG23 ILE A 74 -2.395 3.102 -4.330 1.00 33.24 H new ATOM 0 HD11 ILE A 74 1.221 0.255 -5.854 1.00 14.22 H new ATOM 0 HD12 ILE A 74 1.859 1.912 -5.981 1.00 14.22 H new ATOM 0 HD13 ILE A 74 1.621 1.171 -4.381 1.00 14.22 H new ATOM 1643 N ARG A 107 -6.679 -7.858 -7.520 1.00 75.41 N ATOM 1644 CA ARG A 107 -6.127 -6.908 -8.478 1.00 33.45 C ATOM 1645 C ARG A 107 -7.235 -6.068 -9.099 1.00 31.13 C ATOM 1646 O ARG A 107 -8.336 -6.558 -9.344 1.00 33.22 O ATOM 1647 CB ARG A 107 -5.356 -7.640 -9.582 1.00 30.41 C ATOM 1648 CG ARG A 107 -4.073 -8.319 -9.124 1.00 54.41 C ATOM 1649 CD ARG A 107 -2.955 -7.328 -8.813 1.00 44.43 C ATOM 1650 NE ARG A 107 -3.235 -6.510 -7.633 1.00 35.12 N ATOM 1651 CZ ARG A 107 -2.789 -6.791 -6.410 1.00 72.24 C ATOM 1652 NH1 ARG A 107 -2.016 -7.854 -6.204 1.00 14.12 N ATOM 1653 NH2 ARG A 107 -3.111 -6.001 -5.394 1.00 45.45 N ATOM 0 HA ARG A 107 -5.441 -6.251 -7.943 1.00 33.45 H new ATOM 0 HB2 ARG A 107 -6.010 -8.391 -10.025 1.00 30.41 H new ATOM 0 HB3 ARG A 107 -5.112 -6.927 -10.369 1.00 30.41 H new ATOM 0 HG2 ARG A 107 -4.281 -8.915 -8.235 1.00 54.41 H new ATOM 0 HG3 ARG A 107 -3.736 -9.008 -9.899 1.00 54.41 H new ATOM 0 HD2 ARG A 107 -2.024 -7.874 -8.659 1.00 44.43 H new ATOM 0 HD3 ARG A 107 -2.803 -6.676 -9.674 1.00 44.43 H new ATOM 0 HE ARG A 107 -3.806 -5.674 -7.754 1.00 35.12 H new ATOM 0 HH11 ARG A 107 -1.762 -8.459 -6.985 1.00 14.12 H new ATOM 0 HH12 ARG A 107 -1.677 -8.064 -5.265 1.00 14.12 H new ATOM 0 HH21 ARG A 107 -3.698 -5.182 -5.551 1.00 45.45 H new ATOM 0 HH22 ARG A 107 -2.771 -6.213 -4.456 1.00 45.45 H new ATOM 1667 N GLY A 108 -6.944 -4.800 -9.339 1.00 2.00 N ATOM 1668 CA GLY A 108 -7.918 -3.929 -9.956 1.00 72.23 C ATOM 1669 C GLY A 108 -7.955 -2.564 -9.312 1.00 2.34 C ATOM 1670 O GLY A 108 -7.338 -1.621 -9.806 1.00 34.04 O ATOM 0 H GLY A 108 -6.051 -4.359 -9.118 1.00 2.00 H new ATOM 0 HA2 GLY A 108 -7.687 -3.822 -11.016 1.00 72.23 H new ATOM 0 HA3 GLY A 108 -8.905 -4.387 -9.890 1.00 72.23 H new ATOM 1674 N ILE A 109 -8.661 -2.463 -8.193 1.00 35.34 N ATOM 1675 CA ILE A 109 -8.825 -1.187 -7.507 1.00 31.51 C ATOM 1676 C ILE A 109 -7.593 -0.828 -6.687 1.00 61.12 C ATOM 1677 O ILE A 109 -7.290 0.351 -6.499 1.00 53.33 O ATOM 1678 CB ILE A 109 -10.077 -1.162 -6.592 1.00 23.11 C ATOM 1679 CG1 ILE A 109 -9.972 -2.173 -5.431 1.00 34.52 C ATOM 1680 CG2 ILE A 109 -11.329 -1.420 -7.417 1.00 73.44 C ATOM 1681 CD1 ILE A 109 -10.136 -3.630 -5.828 1.00 44.22 C ATOM 0 H ILE A 109 -9.129 -3.249 -7.741 1.00 35.34 H new ATOM 0 HA ILE A 109 -8.961 -0.443 -8.292 1.00 31.51 H new ATOM 0 HB ILE A 109 -10.139 -0.170 -6.144 1.00 23.11 H new ATOM 0 HG12 ILE A 109 -9.002 -2.051 -4.950 1.00 34.52 H new ATOM 0 HG13 ILE A 109 -10.730 -1.928 -4.687 1.00 34.52 H new ATOM 0 HG21 ILE A 109 -12.204 -1.401 -6.767 1.00 73.44 H new ATOM 0 HG22 ILE A 109 -11.427 -0.648 -8.180 1.00 73.44 H new ATOM 0 HG23 ILE A 109 -11.254 -2.396 -7.896 1.00 73.44 H new ATOM 0 HD11 ILE A 109 -10.046 -4.260 -4.943 1.00 44.22 H new ATOM 0 HD12 ILE A 109 -11.117 -3.776 -6.279 1.00 44.22 H new ATOM 0 HD13 ILE A 109 -9.362 -3.901 -6.547 1.00 44.22 H new ATOM 1693 N TYR A 110 -6.884 -1.841 -6.202 1.00 24.25 N ATOM 1694 CA TYR A 110 -5.682 -1.611 -5.420 1.00 50.33 C ATOM 1695 C TYR A 110 -4.590 -2.609 -5.790 1.00 5.23 C ATOM 1696 O TYR A 110 -4.861 -3.785 -6.054 1.00 21.35 O ATOM 1697 CB TYR A 110 -6.001 -1.711 -3.924 1.00 11.25 C ATOM 1698 CG TYR A 110 -4.818 -1.422 -3.018 1.00 44.42 C ATOM 1699 CD1 TYR A 110 -4.432 -0.118 -2.740 1.00 14.03 C ATOM 1700 CD2 TYR A 110 -4.084 -2.456 -2.448 1.00 12.30 C ATOM 1701 CE1 TYR A 110 -3.351 0.149 -1.920 1.00 62.23 C ATOM 1702 CE2 TYR A 110 -3.002 -2.199 -1.628 1.00 20.15 C ATOM 1703 CZ TYR A 110 -2.640 -0.893 -1.367 1.00 52.14 C ATOM 1704 OH TYR A 110 -1.562 -0.632 -0.551 1.00 24.32 O ATOM 0 H TYR A 110 -7.122 -2.824 -6.337 1.00 24.25 H new ATOM 0 HA TYR A 110 -5.317 -0.608 -5.642 1.00 50.33 H new ATOM 0 HB2 TYR A 110 -6.805 -1.014 -3.687 1.00 11.25 H new ATOM 0 HB3 TYR A 110 -6.374 -2.712 -3.709 1.00 11.25 H new ATOM 0 HD1 TYR A 110 -4.986 0.703 -3.172 1.00 14.03 H new ATOM 0 HD2 TYR A 110 -4.365 -3.479 -2.650 1.00 12.30 H new ATOM 0 HE1 TYR A 110 -3.066 1.170 -1.714 1.00 62.23 H new ATOM 0 HE2 TYR A 110 -2.443 -3.015 -1.194 1.00 20.15 H new ATOM 0 HH TYR A 110 -1.824 0.008 0.143 1.00 24.32 H new ATOM 1714 N SER A 111 -3.358 -2.134 -5.773 1.00 14.11 N ATOM 1715 CA SER A 111 -2.193 -2.949 -6.055 1.00 22.24 C ATOM 1716 C SER A 111 -0.986 -2.303 -5.401 1.00 22.44 C ATOM 1717 O SER A 111 -1.091 -1.193 -4.889 1.00 43.23 O ATOM 1718 CB SER A 111 -1.966 -3.071 -7.570 1.00 61.01 C ATOM 1719 OG SER A 111 -3.114 -3.590 -8.225 1.00 23.13 O ATOM 0 H SER A 111 -3.137 -1.161 -5.561 1.00 14.11 H new ATOM 0 HA SER A 111 -2.347 -3.952 -5.657 1.00 22.24 H new ATOM 0 HB2 SER A 111 -1.721 -2.092 -7.983 1.00 61.01 H new ATOM 0 HB3 SER A 111 -1.112 -3.720 -7.760 1.00 61.01 H new ATOM 0 HG SER A 111 -2.940 -3.655 -9.187 1.00 23.13 H new ATOM 1725 N PHE A 112 0.134 -3.001 -5.394 1.00 45.10 N ATOM 1726 CA PHE A 112 1.393 -2.415 -4.965 1.00 75.12 C ATOM 1727 C PHE A 112 2.407 -2.647 -6.070 1.00 11.03 C ATOM 1728 O PHE A 112 2.460 -3.740 -6.630 1.00 55.43 O ATOM 1729 CB PHE A 112 1.863 -3.048 -3.649 1.00 71.24 C ATOM 1730 CG PHE A 112 3.023 -2.329 -3.012 1.00 52.34 C ATOM 1731 CD1 PHE A 112 2.808 -1.233 -2.189 1.00 53.45 C ATOM 1732 CD2 PHE A 112 4.325 -2.748 -3.234 1.00 32.01 C ATOM 1733 CE1 PHE A 112 3.869 -0.569 -1.602 1.00 62.31 C ATOM 1734 CE2 PHE A 112 5.389 -2.088 -2.649 1.00 63.33 C ATOM 1735 CZ PHE A 112 5.160 -0.998 -1.832 1.00 54.15 C ATOM 0 H PHE A 112 0.199 -3.978 -5.681 1.00 45.10 H new ATOM 0 HA PHE A 112 1.274 -1.347 -4.783 1.00 75.12 H new ATOM 0 HB2 PHE A 112 1.029 -3.067 -2.947 1.00 71.24 H new ATOM 0 HB3 PHE A 112 2.147 -4.084 -3.835 1.00 71.24 H new ATOM 0 HD1 PHE A 112 1.799 -0.894 -2.005 1.00 53.45 H new ATOM 0 HD2 PHE A 112 4.510 -3.600 -3.871 1.00 32.01 H new ATOM 0 HE1 PHE A 112 3.688 0.284 -0.965 1.00 62.31 H new ATOM 0 HE2 PHE A 112 6.399 -2.424 -2.831 1.00 63.33 H new ATOM 0 HZ PHE A 112 5.991 -0.482 -1.374 1.00 54.15 H new ATOM 1745 N GLU A 113 3.204 -1.644 -6.393 1.00 14.24 N ATOM 1746 CA GLU A 113 4.064 -1.742 -7.557 1.00 61.25 C ATOM 1747 C GLU A 113 5.493 -1.329 -7.287 1.00 1.14 C ATOM 1748 O GLU A 113 5.781 -0.550 -6.383 1.00 55.33 O ATOM 1749 CB GLU A 113 3.492 -0.954 -8.729 1.00 52.32 C ATOM 1750 CG GLU A 113 2.616 -1.816 -9.614 1.00 33.23 C ATOM 1751 CD GLU A 113 3.285 -3.141 -9.932 1.00 30.12 C ATOM 1752 OE1 GLU A 113 4.371 -3.129 -10.546 1.00 74.42 O ATOM 1753 OE2 GLU A 113 2.744 -4.195 -9.546 1.00 33.51 O ATOM 0 H GLU A 113 3.273 -0.768 -5.876 1.00 14.24 H new ATOM 0 HA GLU A 113 4.092 -2.800 -7.818 1.00 61.25 H new ATOM 0 HB2 GLU A 113 2.911 -0.113 -8.352 1.00 52.32 H new ATOM 0 HB3 GLU A 113 4.308 -0.538 -9.320 1.00 52.32 H new ATOM 0 HG2 GLU A 113 1.662 -1.998 -9.118 1.00 33.23 H new ATOM 0 HG3 GLU A 113 2.398 -1.285 -10.541 1.00 33.23 H new ATOM 1760 N LYS A 114 6.376 -1.893 -8.096 1.00 55.32 N ATOM 1761 CA LYS A 114 7.796 -1.692 -7.987 1.00 51.12 C ATOM 1762 C LYS A 114 8.255 -0.765 -9.102 1.00 52.22 C ATOM 1763 O LYS A 114 8.461 -1.203 -10.237 1.00 52.15 O ATOM 1764 CB LYS A 114 8.515 -3.037 -8.107 1.00 52.30 C ATOM 1765 CG LYS A 114 8.078 -4.093 -7.091 1.00 1.41 C ATOM 1766 CD LYS A 114 7.237 -5.200 -7.730 1.00 3.15 C ATOM 1767 CE LYS A 114 5.794 -4.767 -7.954 1.00 13.23 C ATOM 1768 NZ LYS A 114 4.981 -5.801 -8.646 1.00 64.22 N ATOM 0 H LYS A 114 6.111 -2.515 -8.860 1.00 55.32 H new ATOM 0 HA LYS A 114 8.031 -1.246 -7.021 1.00 51.12 H new ATOM 0 HB2 LYS A 114 8.354 -3.431 -9.111 1.00 52.30 H new ATOM 0 HB3 LYS A 114 9.587 -2.871 -7.998 1.00 52.30 H new ATOM 0 HG2 LYS A 114 8.960 -4.533 -6.625 1.00 1.41 H new ATOM 0 HG3 LYS A 114 7.503 -3.615 -6.298 1.00 1.41 H new ATOM 0 HD2 LYS A 114 7.681 -5.487 -8.683 1.00 3.15 H new ATOM 0 HD3 LYS A 114 7.255 -6.083 -7.091 1.00 3.15 H new ATOM 0 HE2 LYS A 114 5.336 -4.535 -6.992 1.00 13.23 H new ATOM 0 HE3 LYS A 114 5.782 -3.849 -8.542 1.00 13.23 H new ATOM 0 HZ1 LYS A 114 4.101 -5.373 -8.997 1.00 64.22 H new ATOM 0 HZ2 LYS A 114 5.521 -6.189 -9.446 1.00 64.22 H new ATOM 0 HZ3 LYS A 114 4.752 -6.566 -7.980 1.00 64.22 H new ATOM 1782 N VAL A 115 8.393 0.510 -8.794 1.00 63.31 N ATOM 1783 CA VAL A 115 8.736 1.492 -9.809 1.00 12.24 C ATOM 1784 C VAL A 115 10.163 1.985 -9.627 1.00 31.41 C ATOM 1785 O VAL A 115 10.669 2.079 -8.508 1.00 54.12 O ATOM 1786 CB VAL A 115 7.763 2.696 -9.801 1.00 71.01 C ATOM 1787 CG1 VAL A 115 6.331 2.231 -10.019 1.00 1.11 C ATOM 1788 CG2 VAL A 115 7.872 3.487 -8.507 1.00 74.04 C ATOM 0 H VAL A 115 8.274 0.891 -7.855 1.00 63.31 H new ATOM 0 HA VAL A 115 8.649 0.992 -10.774 1.00 12.24 H new ATOM 0 HB VAL A 115 8.045 3.355 -10.623 1.00 71.01 H new ATOM 0 HG11 VAL A 115 5.663 3.093 -10.010 1.00 1.11 H new ATOM 0 HG12 VAL A 115 6.256 1.724 -10.981 1.00 1.11 H new ATOM 0 HG13 VAL A 115 6.047 1.543 -9.223 1.00 1.11 H new ATOM 0 HG21 VAL A 115 7.176 4.325 -8.533 1.00 74.04 H new ATOM 0 HG22 VAL A 115 7.629 2.840 -7.664 1.00 74.04 H new ATOM 0 HG23 VAL A 115 8.889 3.863 -8.395 1.00 74.04 H new ATOM 1798 N LYS A 116 10.821 2.270 -10.732 1.00 73.13 N ATOM 1799 CA LYS A 116 12.152 2.835 -10.690 1.00 63.10 C ATOM 1800 C LYS A 116 12.061 4.322 -10.986 1.00 35.11 C ATOM 1801 O LYS A 116 12.194 4.748 -12.132 1.00 3.14 O ATOM 1802 CB LYS A 116 13.073 2.142 -11.695 1.00 20.02 C ATOM 1803 CG LYS A 116 14.550 2.310 -11.378 1.00 2.54 C ATOM 1804 CD LYS A 116 14.894 1.675 -10.040 1.00 74.10 C ATOM 1805 CE LYS A 116 16.377 1.771 -9.729 1.00 65.31 C ATOM 1806 NZ LYS A 116 16.718 1.054 -8.473 1.00 65.53 N ATOM 0 H LYS A 116 10.454 2.119 -11.672 1.00 73.13 H new ATOM 0 HA LYS A 116 12.577 2.683 -9.698 1.00 63.10 H new ATOM 0 HB2 LYS A 116 12.834 1.079 -11.722 1.00 20.02 H new ATOM 0 HB3 LYS A 116 12.876 2.539 -12.691 1.00 20.02 H new ATOM 0 HG2 LYS A 116 15.149 1.854 -12.166 1.00 2.54 H new ATOM 0 HG3 LYS A 116 14.803 3.370 -11.358 1.00 2.54 H new ATOM 0 HD2 LYS A 116 14.325 2.165 -9.249 1.00 74.10 H new ATOM 0 HD3 LYS A 116 14.592 0.628 -10.048 1.00 74.10 H new ATOM 0 HE2 LYS A 116 16.951 1.352 -10.556 1.00 65.31 H new ATOM 0 HE3 LYS A 116 16.664 2.819 -9.640 1.00 65.31 H new ATOM 0 HZ1 LYS A 116 17.738 1.140 -8.290 1.00 65.53 H new ATOM 0 HZ2 LYS A 116 16.188 1.470 -7.681 1.00 65.53 H new ATOM 0 HZ3 LYS A 116 16.466 0.049 -8.568 1.00 65.53 H new ATOM 1820 N ALA A 117 11.788 5.101 -9.955 1.00 1.30 N ATOM 1821 CA ALA A 117 11.555 6.522 -10.126 1.00 64.51 C ATOM 1822 C ALA A 117 12.366 7.338 -9.134 1.00 41.25 C ATOM 1823 O ALA A 117 12.693 6.867 -8.045 1.00 23.32 O ATOM 1824 CB ALA A 117 10.074 6.829 -9.976 1.00 20.11 C ATOM 0 H ALA A 117 11.722 4.773 -8.991 1.00 1.30 H new ATOM 0 HA ALA A 117 11.878 6.800 -11.129 1.00 64.51 H new ATOM 0 HB1 ALA A 117 9.909 7.899 -10.106 1.00 20.11 H new ATOM 0 HB2 ALA A 117 9.510 6.281 -10.731 1.00 20.11 H new ATOM 0 HB3 ALA A 117 9.739 6.528 -8.983 1.00 20.11 H new ATOM 1830 N HIS A 118 12.673 8.563 -9.516 1.00 74.32 N ATOM 1831 CA HIS A 118 13.418 9.474 -8.665 1.00 42.13 C ATOM 1832 C HIS A 118 12.557 10.704 -8.382 1.00 61.11 C ATOM 1833 O HIS A 118 13.035 11.734 -7.910 1.00 60.41 O ATOM 1834 CB HIS A 118 14.738 9.854 -9.351 1.00 50.22 C ATOM 1835 CG HIS A 118 15.669 10.683 -8.517 1.00 52.15 C ATOM 1836 ND1 HIS A 118 16.165 11.899 -8.931 1.00 72.13 N ATOM 1837 CD2 HIS A 118 16.207 10.456 -7.296 1.00 55.52 C ATOM 1838 CE1 HIS A 118 16.966 12.386 -8.004 1.00 72.22 C ATOM 1839 NE2 HIS A 118 17.012 11.530 -7.000 1.00 41.00 N ATOM 0 H HIS A 118 12.415 8.955 -10.422 1.00 74.32 H new ATOM 0 HA HIS A 118 13.661 8.997 -7.715 1.00 42.13 H new ATOM 0 HB2 HIS A 118 15.254 8.940 -9.645 1.00 50.22 H new ATOM 0 HB3 HIS A 118 14.510 10.400 -10.267 1.00 50.22 H new ATOM 0 HD2 HIS A 118 16.036 9.592 -6.671 1.00 55.52 H new ATOM 0 HE1 HIS A 118 17.495 13.326 -8.057 1.00 72.22 H new ATOM 0 HE2 HIS A 118 17.556 11.647 -6.145 1.00 41.00 H new ATOM 1848 N SER A 119 11.268 10.566 -8.658 1.00 10.34 N ATOM 1849 CA SER A 119 10.308 11.641 -8.457 1.00 33.33 C ATOM 1850 C SER A 119 9.774 11.627 -7.023 1.00 22.10 C ATOM 1851 O SER A 119 8.606 11.934 -6.782 1.00 1.52 O ATOM 1852 CB SER A 119 9.156 11.500 -9.462 1.00 23.12 C ATOM 1853 OG SER A 119 8.286 12.620 -9.422 1.00 74.40 O ATOM 0 H SER A 119 10.859 9.707 -9.027 1.00 10.34 H new ATOM 0 HA SER A 119 10.808 12.596 -8.621 1.00 33.33 H new ATOM 0 HB2 SER A 119 9.562 11.390 -10.468 1.00 23.12 H new ATOM 0 HB3 SER A 119 8.592 10.593 -9.245 1.00 23.12 H new ATOM 0 HG SER A 119 8.016 12.792 -8.496 1.00 74.40 H new ATOM 1859 N GLY A 120 10.640 11.267 -6.081 1.00 72.40 N ATOM 1860 CA GLY A 120 10.276 11.271 -4.682 1.00 62.22 C ATOM 1861 C GLY A 120 9.841 12.646 -4.222 1.00 71.14 C ATOM 1862 O GLY A 120 10.659 13.558 -4.092 1.00 31.03 O ATOM 0 H GLY A 120 11.598 10.970 -6.269 1.00 72.40 H new ATOM 0 HA2 GLY A 120 9.469 10.558 -4.514 1.00 62.22 H new ATOM 0 HA3 GLY A 120 11.124 10.938 -4.084 1.00 62.22 H new ATOM 1866 N ASN A 121 8.547 12.798 -4.016 1.00 43.15 N ATOM 1867 CA ASN A 121 7.974 14.072 -3.605 1.00 63.02 C ATOM 1868 C ASN A 121 8.317 14.367 -2.145 1.00 51.52 C ATOM 1869 O ASN A 121 8.709 13.469 -1.400 1.00 34.10 O ATOM 1870 CB ASN A 121 6.456 14.050 -3.811 1.00 61.24 C ATOM 1871 CG ASN A 121 5.834 15.426 -3.690 1.00 44.33 C ATOM 1872 OD1 ASN A 121 5.450 15.853 -2.603 1.00 24.14 O ATOM 1873 ND2 ASN A 121 5.737 16.130 -4.807 1.00 72.24 N ATOM 0 H ASN A 121 7.864 12.049 -4.127 1.00 43.15 H new ATOM 0 HA ASN A 121 8.399 14.866 -4.219 1.00 63.02 H new ATOM 0 HB2 ASN A 121 6.232 13.639 -4.795 1.00 61.24 H new ATOM 0 HB3 ASN A 121 6.003 13.384 -3.077 1.00 61.24 H new ATOM 0 HD21 ASN A 121 5.331 17.065 -4.787 1.00 72.24 H new ATOM 0 HD22 ASN A 121 6.068 15.737 -5.688 1.00 72.24 H new ATOM 1880 N GLU A 122 8.160 15.621 -1.737 1.00 10.13 N ATOM 1881 CA GLU A 122 8.511 16.045 -0.386 1.00 52.30 C ATOM 1882 C GLU A 122 7.616 15.382 0.658 1.00 3.34 C ATOM 1883 O GLU A 122 8.012 15.222 1.813 1.00 60.14 O ATOM 1884 CB GLU A 122 8.420 17.566 -0.273 1.00 64.34 C ATOM 1885 CG GLU A 122 9.334 18.292 -1.249 1.00 53.01 C ATOM 1886 CD GLU A 122 9.268 19.793 -1.104 1.00 4.04 C ATOM 1887 OE1 GLU A 122 8.282 20.395 -1.573 1.00 32.52 O ATOM 1888 OE2 GLU A 122 10.212 20.384 -0.530 1.00 11.30 O ATOM 0 H GLU A 122 7.790 16.366 -2.327 1.00 10.13 H new ATOM 0 HA GLU A 122 9.537 15.732 -0.191 1.00 52.30 H new ATOM 0 HB2 GLU A 122 7.390 17.877 -0.449 1.00 64.34 H new ATOM 0 HB3 GLU A 122 8.674 17.865 0.744 1.00 64.34 H new ATOM 0 HG2 GLU A 122 10.361 17.961 -1.093 1.00 53.01 H new ATOM 0 HG3 GLU A 122 9.062 18.017 -2.268 1.00 53.01 H new ATOM 1895 N PHE A 123 6.415 14.991 0.247 1.00 60.34 N ATOM 1896 CA PHE A 123 5.498 14.284 1.138 1.00 14.43 C ATOM 1897 C PHE A 123 5.989 12.867 1.418 1.00 2.11 C ATOM 1898 O PHE A 123 5.699 12.296 2.469 1.00 62.12 O ATOM 1899 CB PHE A 123 4.088 14.231 0.540 1.00 62.12 C ATOM 1900 CG PHE A 123 3.352 15.539 0.591 1.00 23.21 C ATOM 1901 CD1 PHE A 123 2.739 15.955 1.761 1.00 3.35 C ATOM 1902 CD2 PHE A 123 3.267 16.346 -0.530 1.00 41.32 C ATOM 1903 CE1 PHE A 123 2.054 17.153 1.811 1.00 72.44 C ATOM 1904 CE2 PHE A 123 2.585 17.546 -0.486 1.00 42.01 C ATOM 1905 CZ PHE A 123 1.979 17.950 0.687 1.00 12.02 C ATOM 0 H PHE A 123 6.053 15.150 -0.693 1.00 60.34 H new ATOM 0 HA PHE A 123 5.464 14.836 2.077 1.00 14.43 H new ATOM 0 HB2 PHE A 123 4.157 13.905 -0.498 1.00 62.12 H new ATOM 0 HB3 PHE A 123 3.507 13.478 1.073 1.00 62.12 H new ATOM 0 HD1 PHE A 123 2.797 15.336 2.644 1.00 3.35 H new ATOM 0 HD2 PHE A 123 3.739 16.034 -1.450 1.00 41.32 H new ATOM 0 HE1 PHE A 123 1.578 17.466 2.728 1.00 72.44 H new ATOM 0 HE2 PHE A 123 2.526 18.167 -1.367 1.00 42.01 H new ATOM 0 HZ PHE A 123 1.447 18.889 0.725 1.00 12.02 H new ATOM 1915 N ASN A 124 6.754 12.314 0.477 1.00 2.32 N ATOM 1916 CA ASN A 124 7.235 10.935 0.573 1.00 50.35 C ATOM 1917 C ASN A 124 8.070 10.723 1.826 1.00 40.10 C ATOM 1918 O ASN A 124 8.130 9.616 2.348 1.00 20.33 O ATOM 1919 CB ASN A 124 8.056 10.536 -0.658 1.00 43.21 C ATOM 1920 CG ASN A 124 7.215 10.382 -1.913 1.00 40.51 C ATOM 1921 OD1 ASN A 124 6.236 11.095 -2.118 1.00 0.20 O ATOM 1922 ND2 ASN A 124 7.593 9.436 -2.759 1.00 13.01 N ATOM 0 H ASN A 124 7.056 12.803 -0.366 1.00 2.32 H new ATOM 0 HA ASN A 124 6.350 10.300 0.625 1.00 50.35 H new ATOM 0 HB2 ASN A 124 8.825 11.288 -0.834 1.00 43.21 H new ATOM 0 HB3 ASN A 124 8.570 9.596 -0.455 1.00 43.21 H new ATOM 0 HD21 ASN A 124 7.065 9.279 -3.617 1.00 13.01 H new ATOM 0 HD22 ASN A 124 8.412 8.865 -2.552 1.00 13.01 H new ATOM 1929 N ASP A 125 8.705 11.792 2.302 1.00 71.54 N ATOM 1930 CA ASP A 125 9.571 11.728 3.482 1.00 65.13 C ATOM 1931 C ASP A 125 8.837 11.124 4.679 1.00 52.04 C ATOM 1932 O ASP A 125 9.440 10.441 5.508 1.00 11.45 O ATOM 1933 CB ASP A 125 10.091 13.126 3.833 1.00 70.44 C ATOM 1934 CG ASP A 125 11.032 13.126 5.024 1.00 24.40 C ATOM 1935 OD1 ASP A 125 12.183 12.662 4.882 1.00 2.44 O ATOM 1936 OD2 ASP A 125 10.638 13.618 6.101 1.00 34.34 O ATOM 0 H ASP A 125 8.636 12.721 1.886 1.00 71.54 H new ATOM 0 HA ASP A 125 10.415 11.081 3.244 1.00 65.13 H new ATOM 0 HB2 ASP A 125 10.608 13.543 2.969 1.00 70.44 H new ATOM 0 HB3 ASP A 125 9.245 13.780 4.045 1.00 70.44 H new ATOM 1941 N TYR A 126 7.530 11.356 4.751 1.00 30.23 N ATOM 1942 CA TYR A 126 6.724 10.839 5.849 1.00 31.43 C ATOM 1943 C TYR A 126 6.589 9.323 5.769 1.00 41.35 C ATOM 1944 O TYR A 126 6.913 8.615 6.722 1.00 64.22 O ATOM 1945 CB TYR A 126 5.346 11.496 5.857 1.00 21.25 C ATOM 1946 CG TYR A 126 5.385 12.948 6.264 1.00 1.03 C ATOM 1947 CD1 TYR A 126 5.492 13.303 7.601 1.00 63.23 C ATOM 1948 CD2 TYR A 126 5.325 13.962 5.317 1.00 11.34 C ATOM 1949 CE1 TYR A 126 5.541 14.626 7.985 1.00 0.10 C ATOM 1950 CE2 TYR A 126 5.371 15.290 5.694 1.00 43.04 C ATOM 1951 CZ TYR A 126 5.480 15.616 7.030 1.00 71.32 C ATOM 1952 OH TYR A 126 5.538 16.936 7.413 1.00 34.45 O ATOM 0 H TYR A 126 7.008 11.898 4.062 1.00 30.23 H new ATOM 0 HA TYR A 126 7.234 11.083 6.781 1.00 31.43 H new ATOM 0 HB2 TYR A 126 4.906 11.415 4.863 1.00 21.25 H new ATOM 0 HB3 TYR A 126 4.694 10.951 6.540 1.00 21.25 H new ATOM 0 HD1 TYR A 126 5.538 12.530 8.354 1.00 63.23 H new ATOM 0 HD2 TYR A 126 5.241 13.709 4.271 1.00 11.34 H new ATOM 0 HE1 TYR A 126 5.627 14.885 9.030 1.00 0.10 H new ATOM 0 HE2 TYR A 126 5.322 16.069 4.947 1.00 43.04 H new ATOM 0 HH TYR A 126 5.484 17.509 6.620 1.00 34.45 H new ATOM 1962 N VAL A 127 6.131 8.820 4.630 1.00 2.43 N ATOM 1963 CA VAL A 127 5.977 7.381 4.455 1.00 2.21 C ATOM 1964 C VAL A 127 7.350 6.702 4.416 1.00 34.23 C ATOM 1965 O VAL A 127 7.492 5.539 4.791 1.00 53.42 O ATOM 1966 CB VAL A 127 5.159 7.038 3.180 1.00 31.00 C ATOM 1967 CG1 VAL A 127 5.900 7.448 1.916 1.00 30.14 C ATOM 1968 CG2 VAL A 127 4.807 5.558 3.146 1.00 33.02 C ATOM 0 H VAL A 127 5.862 9.380 3.821 1.00 2.43 H new ATOM 0 HA VAL A 127 5.418 7.001 5.310 1.00 2.21 H new ATOM 0 HB VAL A 127 4.232 7.610 3.218 1.00 31.00 H new ATOM 0 HG11 VAL A 127 5.299 7.193 1.043 1.00 30.14 H new ATOM 0 HG12 VAL A 127 6.079 8.523 1.932 1.00 30.14 H new ATOM 0 HG13 VAL A 127 6.853 6.922 1.866 1.00 30.14 H new ATOM 0 HG21 VAL A 127 4.234 5.341 2.244 1.00 33.02 H new ATOM 0 HG22 VAL A 127 5.722 4.966 3.146 1.00 33.02 H new ATOM 0 HG23 VAL A 127 4.212 5.305 4.024 1.00 33.02 H new ATOM 1978 N ASP A 128 8.359 7.457 3.995 1.00 43.04 N ATOM 1979 CA ASP A 128 9.729 6.965 3.946 1.00 51.34 C ATOM 1980 C ASP A 128 10.257 6.673 5.346 1.00 70.42 C ATOM 1981 O ASP A 128 10.697 5.557 5.628 1.00 42.54 O ATOM 1982 CB ASP A 128 10.630 7.986 3.251 1.00 64.43 C ATOM 1983 CG ASP A 128 12.091 7.584 3.269 1.00 3.41 C ATOM 1984 OD1 ASP A 128 12.485 6.727 2.453 1.00 25.43 O ATOM 1985 OD2 ASP A 128 12.853 8.129 4.091 1.00 2.44 O ATOM 0 H ASP A 128 8.251 8.421 3.680 1.00 43.04 H new ATOM 0 HA ASP A 128 9.735 6.035 3.378 1.00 51.34 H new ATOM 0 HB2 ASP A 128 10.304 8.109 2.218 1.00 64.43 H new ATOM 0 HB3 ASP A 128 10.518 8.955 3.738 1.00 64.43 H new ATOM 1990 N MET A 129 10.195 7.670 6.226 1.00 33.43 N ATOM 1991 CA MET A 129 10.684 7.512 7.593 1.00 32.01 C ATOM 1992 C MET A 129 9.902 6.421 8.322 1.00 2.21 C ATOM 1993 O MET A 129 10.453 5.702 9.157 1.00 31.44 O ATOM 1994 CB MET A 129 10.597 8.834 8.373 1.00 30.21 C ATOM 1995 CG MET A 129 9.176 9.309 8.628 1.00 64.02 C ATOM 1996 SD MET A 129 9.098 10.804 9.638 1.00 75.34 S ATOM 1997 CE MET A 129 7.324 11.016 9.776 1.00 12.13 C ATOM 0 H MET A 129 9.812 8.592 6.018 1.00 33.43 H new ATOM 0 HA MET A 129 11.732 7.218 7.537 1.00 32.01 H new ATOM 0 HB2 MET A 129 11.106 8.714 9.329 1.00 30.21 H new ATOM 0 HB3 MET A 129 11.134 9.606 7.821 1.00 30.21 H new ATOM 0 HG2 MET A 129 8.686 9.497 7.673 1.00 64.02 H new ATOM 0 HG3 MET A 129 8.617 8.514 9.122 1.00 64.02 H new ATOM 0 HE1 MET A 129 7.080 12.077 9.729 1.00 12.13 H new ATOM 0 HE2 MET A 129 6.830 10.493 8.957 1.00 12.13 H new ATOM 0 HE3 MET A 129 6.982 10.607 10.726 1.00 12.13 H new ATOM 2007 N LYS A 130 8.621 6.291 7.989 1.00 54.32 N ATOM 2008 CA LYS A 130 7.771 5.271 8.587 1.00 1.34 C ATOM 2009 C LYS A 130 8.195 3.878 8.127 1.00 44.10 C ATOM 2010 O LYS A 130 8.416 2.985 8.948 1.00 53.35 O ATOM 2011 CB LYS A 130 6.301 5.529 8.234 1.00 64.10 C ATOM 2012 CG LYS A 130 5.704 6.737 8.942 1.00 42.52 C ATOM 2013 CD LYS A 130 5.567 6.491 10.435 1.00 62.43 C ATOM 2014 CE LYS A 130 5.065 7.724 11.172 1.00 41.51 C ATOM 2015 NZ LYS A 130 3.729 8.171 10.693 1.00 51.02 N ATOM 0 H LYS A 130 8.149 6.883 7.305 1.00 54.32 H new ATOM 0 HA LYS A 130 7.883 5.321 9.670 1.00 1.34 H new ATOM 0 HB2 LYS A 130 6.215 5.671 7.157 1.00 64.10 H new ATOM 0 HB3 LYS A 130 5.715 4.645 8.487 1.00 64.10 H new ATOM 0 HG2 LYS A 130 6.335 7.609 8.772 1.00 42.52 H new ATOM 0 HG3 LYS A 130 4.726 6.963 8.517 1.00 42.52 H new ATOM 0 HD2 LYS A 130 4.879 5.662 10.604 1.00 62.43 H new ATOM 0 HD3 LYS A 130 6.533 6.193 10.843 1.00 62.43 H new ATOM 0 HE2 LYS A 130 5.011 7.508 12.239 1.00 41.51 H new ATOM 0 HE3 LYS A 130 5.782 8.535 11.047 1.00 41.51 H new ATOM 0 HZ1 LYS A 130 3.140 8.439 11.507 1.00 51.02 H new ATOM 0 HZ2 LYS A 130 3.842 8.990 10.063 1.00 51.02 H new ATOM 0 HZ3 LYS A 130 3.269 7.396 10.174 1.00 51.02 H new ATOM 2029 N ALA A 131 8.333 3.706 6.816 1.00 2.32 N ATOM 2030 CA ALA A 131 8.702 2.415 6.243 1.00 41.31 C ATOM 2031 C ALA A 131 10.102 1.994 6.678 1.00 63.52 C ATOM 2032 O ALA A 131 10.315 0.853 7.090 1.00 35.23 O ATOM 2033 CB ALA A 131 8.613 2.464 4.725 1.00 40.52 C ATOM 0 H ALA A 131 8.194 4.446 6.128 1.00 2.32 H new ATOM 0 HA ALA A 131 7.997 1.671 6.615 1.00 41.31 H new ATOM 0 HB1 ALA A 131 8.891 1.494 4.313 1.00 40.52 H new ATOM 0 HB2 ALA A 131 7.592 2.705 4.428 1.00 40.52 H new ATOM 0 HB3 ALA A 131 9.292 3.228 4.345 1.00 40.52 H new ATOM 2039 N LYS A 132 11.049 2.922 6.596 1.00 5.21 N ATOM 2040 CA LYS A 132 12.429 2.640 6.969 1.00 64.34 C ATOM 2041 C LYS A 132 12.544 2.212 8.431 1.00 0.10 C ATOM 2042 O LYS A 132 13.218 1.229 8.743 1.00 62.21 O ATOM 2043 CB LYS A 132 13.317 3.845 6.696 1.00 70.41 C ATOM 2044 CG LYS A 132 13.677 3.975 5.231 1.00 73.23 C ATOM 2045 CD LYS A 132 14.810 4.954 5.027 1.00 1.14 C ATOM 2046 CE LYS A 132 15.454 4.771 3.667 1.00 23.13 C ATOM 2047 NZ LYS A 132 14.546 5.144 2.550 1.00 22.10 N ATOM 0 H LYS A 132 10.886 3.876 6.274 1.00 5.21 H new ATOM 0 HA LYS A 132 12.769 1.807 6.353 1.00 64.34 H new ATOM 0 HB2 LYS A 132 12.807 4.751 7.024 1.00 70.41 H new ATOM 0 HB3 LYS A 132 14.230 3.762 7.286 1.00 70.41 H new ATOM 0 HG2 LYS A 132 13.961 2.999 4.837 1.00 73.23 H new ATOM 0 HG3 LYS A 132 12.804 4.304 4.668 1.00 73.23 H new ATOM 0 HD2 LYS A 132 14.435 5.973 5.121 1.00 1.14 H new ATOM 0 HD3 LYS A 132 15.558 4.817 5.808 1.00 1.14 H new ATOM 0 HE2 LYS A 132 16.359 5.377 3.613 1.00 23.13 H new ATOM 0 HE3 LYS A 132 15.759 3.731 3.551 1.00 23.13 H new ATOM 0 HZ1 LYS A 132 15.066 5.719 1.857 1.00 22.10 H new ATOM 0 HZ2 LYS A 132 14.191 4.282 2.088 1.00 22.10 H new ATOM 0 HZ3 LYS A 132 13.744 5.692 2.922 1.00 22.10 H new ATOM 2061 N SER A 133 11.871 2.936 9.319 1.00 53.41 N ATOM 2062 CA SER A 133 11.931 2.633 10.744 1.00 65.14 C ATOM 2063 C SER A 133 11.299 1.270 11.032 1.00 74.32 C ATOM 2064 O SER A 133 11.771 0.529 11.898 1.00 51.41 O ATOM 2065 CB SER A 133 11.229 3.730 11.555 1.00 54.34 C ATOM 2066 OG SER A 133 11.534 3.629 12.939 1.00 72.41 O ATOM 0 H SER A 133 11.281 3.732 9.079 1.00 53.41 H new ATOM 0 HA SER A 133 12.978 2.596 11.043 1.00 65.14 H new ATOM 0 HB2 SER A 133 11.533 4.709 11.185 1.00 54.34 H new ATOM 0 HB3 SER A 133 10.151 3.656 11.412 1.00 54.34 H new ATOM 0 HG SER A 133 11.073 4.342 13.428 1.00 72.41 H new ATOM 2072 N ALA A 134 10.255 0.933 10.279 1.00 12.45 N ATOM 2073 CA ALA A 134 9.566 -0.342 10.448 1.00 51.14 C ATOM 2074 C ALA A 134 10.446 -1.508 10.001 1.00 40.43 C ATOM 2075 O ALA A 134 10.279 -2.638 10.460 1.00 1.01 O ATOM 2076 CB ALA A 134 8.253 -0.344 9.676 1.00 41.43 C ATOM 0 H ALA A 134 9.868 1.526 9.545 1.00 12.45 H new ATOM 0 HA ALA A 134 9.350 -0.469 11.509 1.00 51.14 H new ATOM 0 HB1 ALA A 134 7.752 -1.302 9.813 1.00 41.43 H new ATOM 0 HB2 ALA A 134 7.612 0.457 10.046 1.00 41.43 H new ATOM 0 HB3 ALA A 134 8.454 -0.188 8.616 1.00 41.43 H new ATOM 2082 N LEU A 135 11.395 -1.218 9.119 1.00 30.43 N ATOM 2083 CA LEU A 135 12.308 -2.229 8.607 1.00 61.42 C ATOM 2084 C LEU A 135 13.576 -2.264 9.449 1.00 50.14 C ATOM 2085 O LEU A 135 14.522 -2.992 9.146 1.00 30.44 O ATOM 2086 CB LEU A 135 12.653 -1.940 7.140 1.00 52.43 C ATOM 2087 CG LEU A 135 11.482 -2.049 6.158 1.00 34.51 C ATOM 2088 CD1 LEU A 135 11.904 -1.593 4.773 1.00 62.25 C ATOM 2089 CD2 LEU A 135 10.962 -3.477 6.109 1.00 55.12 C ATOM 0 H LEU A 135 11.552 -0.283 8.742 1.00 30.43 H new ATOM 0 HA LEU A 135 11.821 -3.202 8.665 1.00 61.42 H new ATOM 0 HB2 LEU A 135 13.069 -0.935 7.073 1.00 52.43 H new ATOM 0 HB3 LEU A 135 13.435 -2.631 6.825 1.00 52.43 H new ATOM 0 HG LEU A 135 10.680 -1.399 6.506 1.00 34.51 H new ATOM 0 HD11 LEU A 135 11.059 -1.677 4.089 1.00 62.25 H new ATOM 0 HD12 LEU A 135 12.233 -0.555 4.816 1.00 62.25 H new ATOM 0 HD13 LEU A 135 12.723 -2.219 4.418 1.00 62.25 H new ATOM 0 HD21 LEU A 135 10.130 -3.538 5.407 1.00 55.12 H new ATOM 0 HD22 LEU A 135 11.760 -4.144 5.784 1.00 55.12 H new ATOM 0 HD23 LEU A 135 10.622 -3.775 7.101 1.00 55.12 H new ATOM 2101 N GLY A 136 13.586 -1.460 10.505 1.00 43.23 N ATOM 2102 CA GLY A 136 14.709 -1.446 11.414 1.00 72.01 C ATOM 2103 C GLY A 136 15.859 -0.605 10.906 1.00 75.24 C ATOM 2104 O GLY A 136 16.961 -0.658 11.445 1.00 1.34 O ATOM 0 H GLY A 136 12.832 -0.816 10.746 1.00 43.23 H new ATOM 0 HA2 GLY A 136 14.384 -1.063 12.381 1.00 72.01 H new ATOM 0 HA3 GLY A 136 15.054 -2.467 11.575 1.00 72.01 H new ATOM 2108 N ILE A 137 15.601 0.182 9.874 1.00 24.22 N ATOM 2109 CA ILE A 137 16.635 1.002 9.268 1.00 52.42 C ATOM 2110 C ILE A 137 16.732 2.349 9.973 1.00 72.44 C ATOM 2111 O ILE A 137 15.750 3.092 10.060 1.00 34.50 O ATOM 2112 CB ILE A 137 16.367 1.218 7.764 1.00 54.10 C ATOM 2113 CG1 ILE A 137 16.242 -0.134 7.054 1.00 10.24 C ATOM 2114 CG2 ILE A 137 17.476 2.052 7.133 1.00 20.45 C ATOM 2115 CD1 ILE A 137 15.898 -0.022 5.586 1.00 42.11 C ATOM 0 H ILE A 137 14.683 0.270 9.439 1.00 24.22 H new ATOM 0 HA ILE A 137 17.582 0.473 9.377 1.00 52.42 H new ATOM 0 HB ILE A 137 15.429 1.762 7.652 1.00 54.10 H new ATOM 0 HG12 ILE A 137 17.182 -0.676 7.157 1.00 10.24 H new ATOM 0 HG13 ILE A 137 15.475 -0.727 7.553 1.00 10.24 H new ATOM 0 HG21 ILE A 137 17.267 2.192 6.072 1.00 20.45 H new ATOM 0 HG22 ILE A 137 17.525 3.024 7.625 1.00 20.45 H new ATOM 0 HG23 ILE A 137 18.430 1.537 7.250 1.00 20.45 H new ATOM 0 HD11 ILE A 137 15.827 -1.019 5.152 1.00 42.11 H new ATOM 0 HD12 ILE A 137 14.943 0.492 5.474 1.00 42.11 H new ATOM 0 HD13 ILE A 137 16.676 0.543 5.072 1.00 42.11 H new