USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 933 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 47 CYS SG : rot -147:sc= -0.208 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -4.99! C(o=-7.2!,f=-14!) USER MOD Set 1.3: A 50 CYS SG : rot 114:sc= -1.95! USER MOD Set 2.1: A 28 ASN : amide:sc= -2.35 K(o=-3.2,f=-4.2!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -0.855 F(o=-4.7,f=-3.2) USER MOD Set 3.1: A 23 THR OG1 : rot -97:sc= 1.13 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.295 K(o=0.83,f=-4.1!) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0569 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -116:sc= 0.0233 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 131:sc= 0.0226 USER MOD Single : A 14 SER OG : rot 55:sc= 1.26 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -163:sc= 1.48 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.01 USER MOD Single : A 51 GLN : amide:sc= -2.69! C(o=-2.7!,f=-2.8!) USER MOD Single : A 54 THR OG1 : rot 95:sc= 1.08 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -6.99! C(o=-7!,f=-17!) USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= -0.0344 (180deg=-0.266) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -5.83! C(o=-7.4!,f=-5.8!) USER MOD Single : A 79 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.2!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0695 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 57:sc= 1.53 USER MOD Single : A 88 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.7) USER MOD Single : A 92 THR OG1 : rot 11:sc= -0.754 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc=0.000477 (180deg=0) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.82 F(o=-4.7!,f=-1.8) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 0.954 (180deg=0.951) USER MOD Single : A 101 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.49) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -9:sc= 0.971 USER MOD Single : A 107 GLN : amide:sc=-0.00316 K(o=-0.0032,f=-1.2) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.113 35.649 -10.869 1.00 0.00 N ATOM 2 CA GLY A 1 -10.615 34.542 -10.075 1.00 0.00 C ATOM 3 C GLY A 1 -9.599 33.427 -9.929 1.00 0.00 C ATOM 4 O GLY A 1 -8.631 33.356 -10.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.797 36.413 -10.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.313 35.325 -11.449 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.869 36.002 -11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.896 34.906 -9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.519 34.147 -10.538 1.00 0.00 H new ATOM 8 N SER A 2 -9.818 32.553 -8.951 1.00 0.00 N ATOM 9 CA SER A 2 -8.911 31.439 -8.704 1.00 0.00 C ATOM 10 C SER A 2 -9.332 30.208 -9.501 1.00 0.00 C ATOM 11 O SER A 2 -10.386 29.624 -9.252 1.00 0.00 O ATOM 12 CB SER A 2 -8.874 31.105 -7.211 1.00 0.00 C ATOM 13 OG SER A 2 -8.068 29.967 -6.963 1.00 0.00 O ATOM 0 H SER A 2 -10.616 32.595 -8.317 1.00 0.00 H new ATOM 0 HA SER A 2 -7.914 31.737 -9.028 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.486 31.958 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.886 30.923 -6.851 1.00 0.00 H new ATOM 0 HG SER A 2 -8.059 29.775 -6.002 1.00 0.00 H new ATOM 19 N SER A 3 -8.499 29.820 -10.462 1.00 0.00 N ATOM 20 CA SER A 3 -8.786 28.661 -11.299 1.00 0.00 C ATOM 21 C SER A 3 -7.913 27.475 -10.903 1.00 0.00 C ATOM 22 O SER A 3 -6.705 27.472 -11.138 1.00 0.00 O ATOM 23 CB SER A 3 -8.562 29.003 -12.774 1.00 0.00 C ATOM 24 OG SER A 3 -8.596 27.837 -13.578 1.00 0.00 O ATOM 0 H SER A 3 -7.621 30.291 -10.680 1.00 0.00 H new ATOM 0 HA SER A 3 -9.830 28.387 -11.151 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.328 29.702 -13.109 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.601 29.503 -12.893 1.00 0.00 H new ATOM 0 HG SER A 3 -8.452 28.082 -14.516 1.00 0.00 H new ATOM 30 N GLY A 4 -8.534 26.467 -10.298 1.00 0.00 N ATOM 31 CA GLY A 4 -7.799 25.288 -9.878 1.00 0.00 C ATOM 32 C GLY A 4 -7.823 24.187 -10.920 1.00 0.00 C ATOM 33 O GLY A 4 -8.300 24.390 -12.036 1.00 0.00 O ATOM 0 H GLY A 4 -9.533 26.446 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.765 25.564 -9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.223 24.912 -8.947 1.00 0.00 H new ATOM 37 N SER A 5 -7.305 23.019 -10.556 1.00 0.00 N ATOM 38 CA SER A 5 -7.263 21.883 -11.470 1.00 0.00 C ATOM 39 C SER A 5 -6.853 22.328 -12.871 1.00 0.00 C ATOM 40 O SER A 5 -7.429 21.889 -13.866 1.00 0.00 O ATOM 41 CB SER A 5 -8.627 21.192 -11.521 1.00 0.00 C ATOM 42 OG SER A 5 -8.989 20.684 -10.248 1.00 0.00 O ATOM 0 H SER A 5 -6.908 22.834 -9.635 1.00 0.00 H new ATOM 0 HA SER A 5 -6.520 21.177 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.384 21.898 -11.863 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.599 20.379 -12.246 1.00 0.00 H new ATOM 0 HG SER A 5 -9.865 20.249 -10.307 1.00 0.00 H new ATOM 48 N SER A 6 -5.854 23.202 -12.939 1.00 0.00 N ATOM 49 CA SER A 6 -5.369 23.710 -14.216 1.00 0.00 C ATOM 50 C SER A 6 -3.921 23.290 -14.453 1.00 0.00 C ATOM 51 O SER A 6 -3.094 24.091 -14.886 1.00 0.00 O ATOM 52 CB SER A 6 -5.483 25.235 -14.259 1.00 0.00 C ATOM 53 OG SER A 6 -4.734 25.832 -13.215 1.00 0.00 O ATOM 0 H SER A 6 -5.365 23.573 -12.124 1.00 0.00 H new ATOM 0 HA SER A 6 -5.987 23.284 -15.007 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.128 25.602 -15.222 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.530 25.527 -14.173 1.00 0.00 H new ATOM 0 HG SER A 6 -5.340 26.300 -12.604 1.00 0.00 H new ATOM 59 N GLY A 7 -3.623 22.026 -14.165 1.00 0.00 N ATOM 60 CA GLY A 7 -2.276 21.521 -14.352 1.00 0.00 C ATOM 61 C GLY A 7 -1.997 20.291 -13.512 1.00 0.00 C ATOM 62 O GLY A 7 -1.312 19.369 -13.957 1.00 0.00 O ATOM 0 H GLY A 7 -4.291 21.344 -13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.124 21.281 -15.404 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.560 22.302 -14.097 1.00 0.00 H new ATOM 66 N ALA A 8 -2.526 20.276 -12.293 1.00 0.00 N ATOM 67 CA ALA A 8 -2.330 19.149 -11.389 1.00 0.00 C ATOM 68 C ALA A 8 -2.491 17.822 -12.122 1.00 0.00 C ATOM 69 O ALA A 8 -3.077 17.765 -13.203 1.00 0.00 O ATOM 70 CB ALA A 8 -3.305 19.232 -10.224 1.00 0.00 C ATOM 0 H ALA A 8 -3.094 21.031 -11.909 1.00 0.00 H new ATOM 0 HA ALA A 8 -1.312 19.199 -11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.148 18.384 -9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.140 20.160 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.327 19.211 -10.603 1.00 0.00 H new ATOM 76 N VAL A 9 -1.965 16.755 -11.528 1.00 0.00 N ATOM 77 CA VAL A 9 -2.051 15.428 -12.125 1.00 0.00 C ATOM 78 C VAL A 9 -2.516 14.395 -11.105 1.00 0.00 C ATOM 79 O VAL A 9 -2.781 14.726 -9.949 1.00 0.00 O ATOM 80 CB VAL A 9 -0.694 14.985 -12.705 1.00 0.00 C ATOM 81 CG1 VAL A 9 0.131 14.269 -11.647 1.00 0.00 C ATOM 82 CG2 VAL A 9 -0.901 14.097 -13.923 1.00 0.00 C ATOM 0 H VAL A 9 -1.475 16.784 -10.634 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.781 15.491 -12.932 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.145 15.873 -13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.086 13.964 -12.075 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.308 14.941 -10.807 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.409 13.388 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.067 13.793 -14.320 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.469 13.212 -13.636 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.449 14.649 -14.686 1.00 0.00 H new ATOM 92 N SER A 10 -2.614 13.143 -11.540 1.00 0.00 N ATOM 93 CA SER A 10 -3.051 12.062 -10.665 1.00 0.00 C ATOM 94 C SER A 10 -2.654 12.340 -9.218 1.00 0.00 C ATOM 95 O SER A 10 -3.498 12.348 -8.322 1.00 0.00 O ATOM 96 CB SER A 10 -2.450 10.732 -11.124 1.00 0.00 C ATOM 97 OG SER A 10 -3.310 10.071 -12.036 1.00 0.00 O ATOM 0 H SER A 10 -2.397 12.852 -12.493 1.00 0.00 H new ATOM 0 HA SER A 10 -4.138 12.000 -10.720 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.483 10.910 -11.595 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.271 10.093 -10.260 1.00 0.00 H new ATOM 0 HG SER A 10 -2.902 9.225 -12.315 1.00 0.00 H new ATOM 103 N GLY A 11 -1.363 12.566 -8.998 1.00 0.00 N ATOM 104 CA GLY A 11 -0.876 12.841 -7.659 1.00 0.00 C ATOM 105 C GLY A 11 0.634 12.963 -7.605 1.00 0.00 C ATOM 106 O GLY A 11 1.212 13.876 -8.197 1.00 0.00 O ATOM 0 H GLY A 11 -0.645 12.564 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.325 13.765 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.197 12.044 -6.988 1.00 0.00 H new ATOM 110 N LEU A 12 1.276 12.044 -6.892 1.00 0.00 N ATOM 111 CA LEU A 12 2.729 12.054 -6.762 1.00 0.00 C ATOM 112 C LEU A 12 3.367 11.043 -7.709 1.00 0.00 C ATOM 113 O LEU A 12 4.373 11.334 -8.357 1.00 0.00 O ATOM 114 CB LEU A 12 3.133 11.743 -5.319 1.00 0.00 C ATOM 115 CG LEU A 12 2.406 12.538 -4.233 1.00 0.00 C ATOM 116 CD1 LEU A 12 2.700 11.955 -2.859 1.00 0.00 C ATOM 117 CD2 LEU A 12 2.806 14.005 -4.288 1.00 0.00 C ATOM 0 H LEU A 12 0.813 11.283 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 12 3.087 13.049 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.967 10.681 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.204 11.920 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 12 1.333 12.468 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.175 12.533 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.364 10.919 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.773 11.995 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.279 14.555 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.881 14.095 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.545 14.417 -5.263 1.00 0.00 H new ATOM 129 N TYR A 13 2.775 9.857 -7.787 1.00 0.00 N ATOM 130 CA TYR A 13 3.286 8.803 -8.655 1.00 0.00 C ATOM 131 C TYR A 13 2.707 8.927 -10.061 1.00 0.00 C ATOM 132 O TYR A 13 1.931 9.839 -10.347 1.00 0.00 O ATOM 133 CB TYR A 13 2.954 7.428 -8.074 1.00 0.00 C ATOM 134 CG TYR A 13 3.453 7.231 -6.660 1.00 0.00 C ATOM 135 CD1 TYR A 13 2.822 7.849 -5.588 1.00 0.00 C ATOM 136 CD2 TYR A 13 4.555 6.427 -6.398 1.00 0.00 C ATOM 137 CE1 TYR A 13 3.275 7.672 -4.295 1.00 0.00 C ATOM 138 CE2 TYR A 13 5.014 6.244 -5.108 1.00 0.00 C ATOM 139 CZ TYR A 13 4.371 6.869 -4.060 1.00 0.00 C ATOM 140 OH TYR A 13 4.825 6.690 -2.773 1.00 0.00 O ATOM 0 H TYR A 13 1.940 9.601 -7.259 1.00 0.00 H new ATOM 0 HA TYR A 13 4.369 8.912 -8.716 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.873 7.287 -8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.387 6.659 -8.713 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.963 8.478 -5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.061 5.937 -7.216 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.773 8.160 -3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.872 5.615 -4.921 1.00 0.00 H new ATOM 0 HH TYR A 13 4.948 5.733 -2.600 1.00 0.00 H new ATOM 150 N SER A 14 3.090 8.002 -10.936 1.00 0.00 N ATOM 151 CA SER A 14 2.612 8.008 -12.313 1.00 0.00 C ATOM 152 C SER A 14 3.091 6.767 -13.060 1.00 0.00 C ATOM 153 O SER A 14 3.755 5.902 -12.488 1.00 0.00 O ATOM 154 CB SER A 14 3.090 9.268 -13.036 1.00 0.00 C ATOM 155 OG SER A 14 2.189 10.343 -12.837 1.00 0.00 O ATOM 0 H SER A 14 3.730 7.239 -10.715 1.00 0.00 H new ATOM 0 HA SER A 14 1.522 8.001 -12.293 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.079 9.546 -12.673 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.188 9.064 -14.102 1.00 0.00 H new ATOM 0 HG SER A 14 2.053 10.482 -11.877 1.00 0.00 H new ATOM 161 N SER A 15 2.750 6.686 -14.342 1.00 0.00 N ATOM 162 CA SER A 15 3.142 5.550 -15.168 1.00 0.00 C ATOM 163 C SER A 15 4.660 5.414 -15.219 1.00 0.00 C ATOM 164 O SER A 15 5.203 4.323 -15.042 1.00 0.00 O ATOM 165 CB SER A 15 2.584 5.705 -16.584 1.00 0.00 C ATOM 166 OG SER A 15 2.518 4.454 -17.246 1.00 0.00 O ATOM 0 H SER A 15 2.203 7.394 -14.832 1.00 0.00 H new ATOM 0 HA SER A 15 2.729 4.647 -14.720 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.590 6.149 -16.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.214 6.389 -17.154 1.00 0.00 H new ATOM 0 HG SER A 15 2.157 4.580 -18.148 1.00 0.00 H new ATOM 172 N SER A 16 5.340 6.530 -15.463 1.00 0.00 N ATOM 173 CA SER A 16 6.796 6.536 -15.542 1.00 0.00 C ATOM 174 C SER A 16 7.402 5.626 -14.477 1.00 0.00 C ATOM 175 O SER A 16 8.218 4.755 -14.780 1.00 0.00 O ATOM 176 CB SER A 16 7.331 7.959 -15.377 1.00 0.00 C ATOM 177 OG SER A 16 7.188 8.700 -16.577 1.00 0.00 O ATOM 0 H SER A 16 4.906 7.441 -15.609 1.00 0.00 H new ATOM 0 HA SER A 16 7.083 6.159 -16.524 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.796 8.461 -14.570 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.382 7.925 -15.090 1.00 0.00 H new ATOM 0 HG SER A 16 7.536 9.607 -16.445 1.00 0.00 H new ATOM 183 N ASP A 17 6.997 5.836 -13.230 1.00 0.00 N ATOM 184 CA ASP A 17 7.498 5.035 -12.119 1.00 0.00 C ATOM 185 C ASP A 17 6.980 3.603 -12.204 1.00 0.00 C ATOM 186 O ASP A 17 5.949 3.341 -12.824 1.00 0.00 O ATOM 187 CB ASP A 17 7.087 5.661 -10.785 1.00 0.00 C ATOM 188 CG ASP A 17 5.744 6.361 -10.863 1.00 0.00 C ATOM 189 OD1 ASP A 17 5.670 7.432 -11.501 1.00 0.00 O ATOM 190 OD2 ASP A 17 4.767 5.838 -10.287 1.00 0.00 O ATOM 0 H ASP A 17 6.323 6.554 -12.963 1.00 0.00 H new ATOM 0 HA ASP A 17 8.586 5.013 -12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.045 4.885 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.848 6.376 -10.472 1.00 0.00 H new ATOM 195 N ASP A 18 7.701 2.680 -11.578 1.00 0.00 N ATOM 196 CA ASP A 18 7.315 1.274 -11.583 1.00 0.00 C ATOM 197 C ASP A 18 6.087 1.045 -10.707 1.00 0.00 C ATOM 198 O ASP A 18 5.430 0.007 -10.799 1.00 0.00 O ATOM 199 CB ASP A 18 8.474 0.402 -11.096 1.00 0.00 C ATOM 200 CG ASP A 18 9.681 0.482 -12.009 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.176 1.605 -12.241 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.131 -0.578 -12.492 1.00 0.00 O ATOM 0 H ASP A 18 8.557 2.880 -11.060 1.00 0.00 H new ATOM 0 HA ASP A 18 7.067 0.995 -12.607 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.761 0.712 -10.091 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.142 -0.634 -11.027 1.00 0.00 H new ATOM 207 N VAL A 19 5.783 2.020 -9.856 1.00 0.00 N ATOM 208 CA VAL A 19 4.634 1.925 -8.964 1.00 0.00 C ATOM 209 C VAL A 19 3.330 1.870 -9.750 1.00 0.00 C ATOM 210 O VAL A 19 3.113 2.662 -10.668 1.00 0.00 O ATOM 211 CB VAL A 19 4.582 3.115 -7.987 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.304 3.076 -7.164 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.807 3.117 -7.085 1.00 0.00 C ATOM 0 H VAL A 19 6.317 2.885 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 19 4.751 1.002 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 19 4.584 4.038 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.286 3.924 -6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.442 3.127 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.267 2.148 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.754 3.964 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.839 2.190 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.707 3.198 -7.694 1.00 0.00 H new ATOM 223 N ILE A 20 2.463 0.931 -9.385 1.00 0.00 N ATOM 224 CA ILE A 20 1.179 0.774 -10.056 1.00 0.00 C ATOM 225 C ILE A 20 0.103 1.626 -9.390 1.00 0.00 C ATOM 226 O ILE A 20 -0.172 1.476 -8.200 1.00 0.00 O ATOM 227 CB ILE A 20 0.723 -0.697 -10.062 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.644 -1.535 -10.951 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.719 -0.802 -10.536 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.482 -3.026 -10.752 1.00 0.00 C ATOM 0 H ILE A 20 2.627 0.267 -8.628 1.00 0.00 H new ATOM 0 HA ILE A 20 1.318 1.107 -11.085 1.00 0.00 H new ATOM 0 HB ILE A 20 0.780 -1.084 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.447 -1.292 -11.995 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.679 -1.260 -10.749 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.027 -1.848 -10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.364 -0.233 -9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.800 -0.401 -11.546 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.165 -3.558 -11.414 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.707 -3.281 -9.717 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.456 -3.314 -10.982 1.00 0.00 H new ATOM 242 N GLU A 21 -0.503 2.518 -10.167 1.00 0.00 N ATOM 243 CA GLU A 21 -1.550 3.393 -9.651 1.00 0.00 C ATOM 244 C GLU A 21 -2.792 2.591 -9.275 1.00 0.00 C ATOM 245 O GLU A 21 -3.631 2.288 -10.125 1.00 0.00 O ATOM 246 CB GLU A 21 -1.912 4.458 -10.688 1.00 0.00 C ATOM 247 CG GLU A 21 -2.760 5.588 -10.130 1.00 0.00 C ATOM 248 CD GLU A 21 -1.925 6.730 -9.585 1.00 0.00 C ATOM 249 OE1 GLU A 21 -0.907 7.076 -10.220 1.00 0.00 O ATOM 250 OE2 GLU A 21 -2.288 7.277 -8.523 1.00 0.00 O ATOM 0 H GLU A 21 -0.288 2.654 -11.155 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.170 3.883 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.995 4.875 -11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.448 3.985 -11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.417 5.965 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.399 5.200 -9.337 1.00 0.00 H new ATOM 257 N LEU A 22 -2.903 2.249 -7.996 1.00 0.00 N ATOM 258 CA LEU A 22 -4.043 1.481 -7.505 1.00 0.00 C ATOM 259 C LEU A 22 -5.241 2.389 -7.248 1.00 0.00 C ATOM 260 O LEU A 22 -5.109 3.454 -6.642 1.00 0.00 O ATOM 261 CB LEU A 22 -3.667 0.738 -6.222 1.00 0.00 C ATOM 262 CG LEU A 22 -2.788 -0.501 -6.398 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.459 -1.117 -5.047 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.475 -1.519 -7.297 1.00 0.00 C ATOM 0 H LEU A 22 -2.218 2.491 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.318 0.756 -8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.151 1.434 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.585 0.439 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.855 -0.197 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.833 -1.998 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.926 -0.389 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.382 -1.407 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.835 -2.394 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.423 -1.818 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.660 -1.075 -8.275 1.00 0.00 H new ATOM 276 N THR A 23 -6.412 1.961 -7.710 1.00 0.00 N ATOM 277 CA THR A 23 -7.634 2.735 -7.529 1.00 0.00 C ATOM 278 C THR A 23 -8.765 1.860 -7.002 1.00 0.00 C ATOM 279 O THR A 23 -8.729 0.633 -7.096 1.00 0.00 O ATOM 280 CB THR A 23 -8.082 3.394 -8.847 1.00 0.00 C ATOM 281 OG1 THR A 23 -8.963 2.517 -9.558 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.881 3.730 -9.719 1.00 0.00 C ATOM 0 H THR A 23 -6.540 1.082 -8.212 1.00 0.00 H new ATOM 0 HA THR A 23 -7.410 3.514 -6.800 1.00 0.00 H new ATOM 0 HB THR A 23 -8.607 4.319 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.454 2.017 -10.230 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.222 4.194 -10.644 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.226 4.420 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.333 2.817 -9.952 1.00 0.00 H new ATOM 290 N PRO A 24 -9.795 2.503 -6.433 1.00 0.00 N ATOM 291 CA PRO A 24 -10.958 1.802 -5.880 1.00 0.00 C ATOM 292 C PRO A 24 -11.824 1.170 -6.965 1.00 0.00 C ATOM 293 O PRO A 24 -12.972 0.801 -6.719 1.00 0.00 O ATOM 294 CB PRO A 24 -11.729 2.909 -5.157 1.00 0.00 C ATOM 295 CG PRO A 24 -11.331 4.164 -5.854 1.00 0.00 C ATOM 296 CD PRO A 24 -9.905 3.964 -6.286 1.00 0.00 C ATOM 0 HA PRO A 24 -10.666 0.975 -5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.805 2.747 -5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.471 2.945 -4.099 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.975 4.355 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.421 5.024 -5.190 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.693 4.479 -7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.203 4.347 -5.545 1.00 0.00 H new ATOM 304 N SER A 25 -11.266 1.049 -8.165 1.00 0.00 N ATOM 305 CA SER A 25 -11.989 0.465 -9.289 1.00 0.00 C ATOM 306 C SER A 25 -11.290 -0.796 -9.788 1.00 0.00 C ATOM 307 O SER A 25 -11.912 -1.661 -10.403 1.00 0.00 O ATOM 308 CB SER A 25 -12.110 1.479 -10.427 1.00 0.00 C ATOM 309 OG SER A 25 -13.295 2.247 -10.302 1.00 0.00 O ATOM 0 H SER A 25 -10.316 1.347 -8.384 1.00 0.00 H new ATOM 0 HA SER A 25 -12.988 0.194 -8.946 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.243 2.139 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.110 0.958 -11.384 1.00 0.00 H new ATOM 0 HG SER A 25 -13.348 2.889 -11.041 1.00 0.00 H new ATOM 315 N ASN A 26 -9.992 -0.892 -9.517 1.00 0.00 N ATOM 316 CA ASN A 26 -9.207 -2.046 -9.939 1.00 0.00 C ATOM 317 C ASN A 26 -8.492 -2.682 -8.750 1.00 0.00 C ATOM 318 O ASN A 26 -8.006 -3.810 -8.835 1.00 0.00 O ATOM 319 CB ASN A 26 -8.186 -1.634 -11.002 1.00 0.00 C ATOM 320 CG ASN A 26 -7.711 -0.205 -10.823 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.418 0.743 -11.163 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.506 -0.045 -10.287 1.00 0.00 N ATOM 0 H ASN A 26 -9.462 -0.185 -9.007 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.889 -2.781 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.330 -2.307 -10.960 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.630 -1.745 -11.991 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.133 0.893 -10.143 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.954 -0.860 -10.020 1.00 0.00 H new ATOM 329 N PHE A 27 -8.432 -1.950 -7.643 1.00 0.00 N ATOM 330 CA PHE A 27 -7.777 -2.441 -6.436 1.00 0.00 C ATOM 331 C PHE A 27 -8.044 -3.930 -6.240 1.00 0.00 C ATOM 332 O PHE A 27 -7.235 -4.645 -5.650 1.00 0.00 O ATOM 333 CB PHE A 27 -8.260 -1.659 -5.213 1.00 0.00 C ATOM 334 CG PHE A 27 -7.494 -1.973 -3.960 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.598 -3.218 -3.362 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.670 -1.022 -3.380 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.894 -3.510 -2.209 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.963 -1.309 -2.227 1.00 0.00 C ATOM 339 CZ PHE A 27 -6.077 -2.554 -1.640 1.00 0.00 C ATOM 0 H PHE A 27 -8.829 -1.014 -7.556 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.703 -2.294 -6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.181 -0.592 -5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.316 -1.874 -5.048 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.237 -3.970 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.579 -0.046 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.983 -4.485 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.322 -0.560 -1.786 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.528 -2.779 -0.738 1.00 0.00 H new ATOM 349 N ASN A 28 -9.187 -4.391 -6.738 1.00 0.00 N ATOM 350 CA ASN A 28 -9.563 -5.795 -6.617 1.00 0.00 C ATOM 351 C ASN A 28 -8.990 -6.613 -7.771 1.00 0.00 C ATOM 352 O ASN A 28 -8.511 -7.730 -7.575 1.00 0.00 O ATOM 353 CB ASN A 28 -11.086 -5.935 -6.585 1.00 0.00 C ATOM 354 CG ASN A 28 -11.530 -7.354 -6.283 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.893 -7.676 -5.152 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.501 -8.210 -7.298 1.00 0.00 N ATOM 0 H ASN A 28 -9.869 -3.813 -7.229 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.150 -6.177 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.494 -5.261 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.497 -5.625 -7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.787 -9.179 -7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.193 -7.899 -8.219 1.00 0.00 H new ATOM 363 N ARG A 29 -9.043 -6.049 -8.973 1.00 0.00 N ATOM 364 CA ARG A 29 -8.531 -6.726 -10.158 1.00 0.00 C ATOM 365 C ARG A 29 -7.014 -6.586 -10.250 1.00 0.00 C ATOM 366 O ARG A 29 -6.380 -7.172 -11.127 1.00 0.00 O ATOM 367 CB ARG A 29 -9.183 -6.156 -11.419 1.00 0.00 C ATOM 368 CG ARG A 29 -10.521 -6.795 -11.753 1.00 0.00 C ATOM 369 CD ARG A 29 -11.639 -6.232 -10.889 1.00 0.00 C ATOM 370 NE ARG A 29 -12.931 -6.277 -11.568 1.00 0.00 N ATOM 371 CZ ARG A 29 -13.962 -5.507 -11.237 1.00 0.00 C ATOM 372 NH1 ARG A 29 -13.852 -4.637 -10.243 1.00 0.00 N ATOM 373 NH2 ARG A 29 -15.106 -5.606 -11.902 1.00 0.00 N ATOM 0 H ARG A 29 -9.435 -5.125 -9.152 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.778 -7.785 -10.076 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.324 -5.083 -11.292 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.505 -6.291 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.753 -6.627 -12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.456 -7.873 -11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.698 -6.798 -9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.406 -5.201 -10.621 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.048 -6.935 -12.338 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.974 -4.557 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.645 -4.047 -9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.194 -6.274 -12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.897 -5.014 -11.647 1.00 0.00 H new ATOM 387 N GLU A 30 -6.440 -5.807 -9.339 1.00 0.00 N ATOM 388 CA GLU A 30 -4.998 -5.590 -9.319 1.00 0.00 C ATOM 389 C GLU A 30 -4.351 -6.339 -8.157 1.00 0.00 C ATOM 390 O GLU A 30 -3.356 -7.042 -8.334 1.00 0.00 O ATOM 391 CB GLU A 30 -4.686 -4.096 -9.214 1.00 0.00 C ATOM 392 CG GLU A 30 -4.577 -3.401 -10.561 1.00 0.00 C ATOM 393 CD GLU A 30 -3.229 -3.616 -11.222 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.758 -4.773 -11.243 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.646 -2.630 -11.718 1.00 0.00 O ATOM 0 H GLU A 30 -6.951 -5.316 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.586 -5.975 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.466 -3.611 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.750 -3.966 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.363 -3.769 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.746 -2.332 -10.429 1.00 0.00 H new ATOM 402 N VAL A 31 -4.923 -6.182 -6.968 1.00 0.00 N ATOM 403 CA VAL A 31 -4.404 -6.842 -5.776 1.00 0.00 C ATOM 404 C VAL A 31 -5.228 -8.078 -5.430 1.00 0.00 C ATOM 405 O VAL A 31 -4.730 -9.202 -5.483 1.00 0.00 O ATOM 406 CB VAL A 31 -4.394 -5.890 -4.566 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.910 -6.615 -3.320 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.528 -4.672 -4.854 1.00 0.00 C ATOM 0 H VAL A 31 -5.747 -5.603 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.380 -7.142 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.413 -5.549 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.910 -5.926 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.574 -7.452 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.899 -6.987 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.532 -4.010 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.507 -4.992 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.924 -4.140 -5.719 1.00 0.00 H new ATOM 418 N ILE A 32 -6.490 -7.860 -5.076 1.00 0.00 N ATOM 419 CA ILE A 32 -7.383 -8.957 -4.723 1.00 0.00 C ATOM 420 C ILE A 32 -7.326 -10.069 -5.764 1.00 0.00 C ATOM 421 O ILE A 32 -7.439 -11.249 -5.432 1.00 0.00 O ATOM 422 CB ILE A 32 -8.839 -8.474 -4.583 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.920 -7.307 -3.596 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.735 -9.618 -4.134 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.454 -7.663 -2.201 1.00 0.00 C ATOM 0 H ILE A 32 -6.917 -6.935 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.043 -9.344 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.186 -8.127 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.317 -6.481 -3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.950 -6.953 -3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.761 -9.261 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.696 -10.421 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.391 -9.993 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.539 -6.789 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.073 -8.468 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.414 -7.988 -2.237 1.00 0.00 H new ATOM 437 N GLN A 33 -7.149 -9.685 -7.024 1.00 0.00 N ATOM 438 CA GLN A 33 -7.075 -10.651 -8.113 1.00 0.00 C ATOM 439 C GLN A 33 -5.626 -11.008 -8.428 1.00 0.00 C ATOM 440 O GLN A 33 -5.288 -11.322 -9.570 1.00 0.00 O ATOM 441 CB GLN A 33 -7.760 -10.095 -9.363 1.00 0.00 C ATOM 442 CG GLN A 33 -9.277 -10.075 -9.268 1.00 0.00 C ATOM 443 CD GLN A 33 -9.821 -11.179 -8.383 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.186 -10.828 -7.156 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -9.912 -12.334 -8.798 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.054 -8.712 -7.316 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.592 -11.557 -7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.402 -9.081 -9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.466 -10.694 -10.225 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.600 -9.110 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.701 -10.173 -10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.619 -12.559 -9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.280 -13.066 -8.191 1.00 0.00 H new ATOM 454 N SER A 34 -4.775 -10.956 -7.409 1.00 0.00 N ATOM 455 CA SER A 34 -3.361 -11.270 -7.579 1.00 0.00 C ATOM 456 C SER A 34 -2.893 -12.260 -6.516 1.00 0.00 C ATOM 457 O SER A 34 -2.390 -11.867 -5.464 1.00 0.00 O ATOM 458 CB SER A 34 -2.521 -9.993 -7.507 1.00 0.00 C ATOM 459 OG SER A 34 -1.137 -10.288 -7.569 1.00 0.00 O ATOM 0 H SER A 34 -5.039 -10.700 -6.458 1.00 0.00 H new ATOM 0 HA SER A 34 -3.231 -11.727 -8.560 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.792 -9.329 -8.328 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.741 -9.461 -6.582 1.00 0.00 H new ATOM 0 HG SER A 34 -0.623 -9.513 -7.259 1.00 0.00 H new ATOM 465 N ASP A 35 -3.062 -13.547 -6.801 1.00 0.00 N ATOM 466 CA ASP A 35 -2.656 -14.595 -5.871 1.00 0.00 C ATOM 467 C ASP A 35 -1.258 -14.325 -5.324 1.00 0.00 C ATOM 468 O ASP A 35 -0.925 -14.737 -4.214 1.00 0.00 O ATOM 469 CB ASP A 35 -2.693 -15.960 -6.561 1.00 0.00 C ATOM 470 CG ASP A 35 -4.039 -16.644 -6.419 1.00 0.00 C ATOM 471 OD1 ASP A 35 -4.609 -16.605 -5.309 1.00 0.00 O ATOM 472 OD2 ASP A 35 -4.521 -17.219 -7.417 1.00 0.00 O ATOM 0 H ASP A 35 -3.477 -13.889 -7.668 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.358 -14.599 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.462 -15.836 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.918 -16.599 -6.138 1.00 0.00 H new ATOM 477 N GLY A 36 -0.443 -13.631 -6.113 1.00 0.00 N ATOM 478 CA GLY A 36 0.910 -13.319 -5.691 1.00 0.00 C ATOM 479 C GLY A 36 0.945 -12.369 -4.510 1.00 0.00 C ATOM 480 O GLY A 36 0.036 -12.366 -3.679 1.00 0.00 O ATOM 0 H GLY A 36 -0.696 -13.279 -7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.427 -14.242 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.455 -12.877 -6.525 1.00 0.00 H new ATOM 484 N LEU A 37 1.996 -11.561 -4.434 1.00 0.00 N ATOM 485 CA LEU A 37 2.147 -10.602 -3.345 1.00 0.00 C ATOM 486 C LEU A 37 1.920 -9.177 -3.839 1.00 0.00 C ATOM 487 O LEU A 37 2.317 -8.824 -4.949 1.00 0.00 O ATOM 488 CB LEU A 37 3.539 -10.723 -2.723 1.00 0.00 C ATOM 489 CG LEU A 37 3.652 -10.327 -1.250 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.105 -11.430 -0.357 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.098 -10.016 -0.891 1.00 0.00 C ATOM 0 H LEU A 37 2.757 -11.550 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 37 1.396 -10.828 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.874 -11.755 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.228 -10.105 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 37 3.057 -9.428 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.194 -11.130 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.056 -11.605 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.673 -12.346 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.160 -9.736 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.715 -10.897 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.457 -9.192 -1.507 1.00 0.00 H new ATOM 503 N TRP A 38 1.282 -8.363 -3.006 1.00 0.00 N ATOM 504 CA TRP A 38 1.004 -6.975 -3.358 1.00 0.00 C ATOM 505 C TRP A 38 1.335 -6.043 -2.197 1.00 0.00 C ATOM 506 O TRP A 38 0.987 -6.318 -1.048 1.00 0.00 O ATOM 507 CB TRP A 38 -0.463 -6.812 -3.757 1.00 0.00 C ATOM 508 CG TRP A 38 -0.681 -6.830 -5.239 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.963 -7.919 -6.013 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.634 -5.707 -6.126 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.093 -7.541 -7.328 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.897 -6.189 -7.423 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.397 -4.341 -5.950 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.927 -5.352 -8.536 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.427 -3.512 -7.056 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.692 -4.019 -8.335 1.00 0.00 C ATOM 0 H TRP A 38 0.948 -8.639 -2.083 1.00 0.00 H new ATOM 0 HA TRP A 38 1.635 -6.708 -4.206 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.047 -7.612 -3.301 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.840 -5.872 -3.353 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.068 -8.929 -5.646 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.302 -8.166 -8.107 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.194 -3.940 -4.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.129 -5.741 -9.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.243 -2.455 -6.932 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.711 -3.345 -9.178 1.00 0.00 H new ATOM 527 N LEU A 39 2.008 -4.939 -2.504 1.00 0.00 N ATOM 528 CA LEU A 39 2.386 -3.966 -1.485 1.00 0.00 C ATOM 529 C LEU A 39 1.712 -2.621 -1.741 1.00 0.00 C ATOM 530 O LEU A 39 2.155 -1.844 -2.586 1.00 0.00 O ATOM 531 CB LEU A 39 3.905 -3.790 -1.457 1.00 0.00 C ATOM 532 CG LEU A 39 4.666 -4.685 -0.478 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.163 -4.609 -0.738 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.351 -4.293 0.958 1.00 0.00 C ATOM 0 H LEU A 39 2.303 -4.696 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 39 2.052 -4.342 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.290 -3.973 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.126 -2.750 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 39 4.344 -5.715 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.688 -5.252 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.373 -4.940 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.502 -3.581 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.901 -4.940 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.644 -3.257 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.281 -4.401 1.138 1.00 0.00 H new ATOM 546 N VAL A 40 0.640 -2.353 -1.002 1.00 0.00 N ATOM 547 CA VAL A 40 -0.094 -1.101 -1.146 1.00 0.00 C ATOM 548 C VAL A 40 0.277 -0.117 -0.042 1.00 0.00 C ATOM 549 O VAL A 40 0.258 -0.460 1.140 1.00 0.00 O ATOM 550 CB VAL A 40 -1.616 -1.336 -1.121 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.362 -0.023 -1.304 1.00 0.00 C ATOM 552 CG2 VAL A 40 -2.017 -2.341 -2.189 1.00 0.00 C ATOM 0 H VAL A 40 0.261 -2.986 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 40 0.184 -0.680 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.887 -1.747 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.436 -0.209 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.097 0.662 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.089 0.420 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.096 -2.495 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.734 -1.961 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.510 -3.288 -2.006 1.00 0.00 H new ATOM 562 N GLU A 41 0.612 1.107 -0.436 1.00 0.00 N ATOM 563 CA GLU A 41 0.987 2.141 0.522 1.00 0.00 C ATOM 564 C GLU A 41 0.070 3.355 0.399 1.00 0.00 C ATOM 565 O GLU A 41 0.024 4.009 -0.643 1.00 0.00 O ATOM 566 CB GLU A 41 2.442 2.563 0.307 1.00 0.00 C ATOM 567 CG GLU A 41 2.791 3.895 0.951 1.00 0.00 C ATOM 568 CD GLU A 41 4.285 4.154 0.982 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.000 3.419 1.695 1.00 0.00 O ATOM 570 OE2 GLU A 41 4.738 5.092 0.294 1.00 0.00 O ATOM 0 H GLU A 41 0.632 1.407 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 41 0.881 1.727 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.099 1.791 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.640 2.624 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.298 4.699 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.401 3.916 1.969 1.00 0.00 H new ATOM 577 N PHE A 42 -0.658 3.650 1.471 1.00 0.00 N ATOM 578 CA PHE A 42 -1.575 4.784 1.484 1.00 0.00 C ATOM 579 C PHE A 42 -0.841 6.073 1.842 1.00 0.00 C ATOM 580 O PHE A 42 -0.556 6.333 3.011 1.00 0.00 O ATOM 581 CB PHE A 42 -2.711 4.537 2.479 1.00 0.00 C ATOM 582 CG PHE A 42 -3.516 3.306 2.176 1.00 0.00 C ATOM 583 CD1 PHE A 42 -3.047 2.050 2.526 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.744 3.405 1.540 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.786 0.916 2.249 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.487 2.274 1.261 1.00 0.00 C ATOM 587 CZ PHE A 42 -5.007 1.028 1.615 1.00 0.00 C ATOM 0 H PHE A 42 -0.631 3.120 2.342 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.995 4.892 0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.293 4.450 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.374 5.403 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.092 1.956 3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.124 4.376 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.409 -0.057 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.443 2.364 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.586 0.143 1.396 1.00 0.00 H new ATOM 597 N TYR A 43 -0.538 6.875 0.828 1.00 0.00 N ATOM 598 CA TYR A 43 0.165 8.135 1.034 1.00 0.00 C ATOM 599 C TYR A 43 -0.780 9.321 0.861 1.00 0.00 C ATOM 600 O TYR A 43 -1.973 9.147 0.615 1.00 0.00 O ATOM 601 CB TYR A 43 1.336 8.256 0.057 1.00 0.00 C ATOM 602 CG TYR A 43 0.909 8.477 -1.376 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.534 9.738 -1.823 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.880 7.425 -2.283 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.143 9.945 -3.132 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.491 7.623 -3.594 1.00 0.00 C ATOM 607 CZ TYR A 43 0.123 8.884 -4.014 1.00 0.00 C ATOM 608 OH TYR A 43 -0.266 9.085 -5.318 1.00 0.00 O ATOM 0 H TYR A 43 -0.768 6.675 -0.145 1.00 0.00 H new ATOM 0 HA TYR A 43 0.549 8.145 2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.974 9.083 0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.939 7.350 0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.548 10.571 -1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.166 6.436 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.145 10.932 -3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.475 6.794 -4.286 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.223 8.237 -5.807 1.00 0.00 H new ATOM 618 N ALA A 44 -0.235 10.526 0.990 1.00 0.00 N ATOM 619 CA ALA A 44 -1.028 11.742 0.846 1.00 0.00 C ATOM 620 C ALA A 44 -0.252 12.816 0.091 1.00 0.00 C ATOM 621 O ALA A 44 0.821 13.250 0.509 1.00 0.00 O ATOM 622 CB ALA A 44 -1.455 12.258 2.212 1.00 0.00 C ATOM 0 H ALA A 44 0.751 10.687 1.194 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.919 11.500 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.046 13.166 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.054 11.500 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.571 12.479 2.810 1.00 0.00 H new ATOM 628 N PRO A 45 -0.806 13.255 -1.049 1.00 0.00 N ATOM 629 CA PRO A 45 -0.182 14.284 -1.886 1.00 0.00 C ATOM 630 C PRO A 45 -0.207 15.660 -1.229 1.00 0.00 C ATOM 631 O PRO A 45 0.199 16.653 -1.832 1.00 0.00 O ATOM 632 CB PRO A 45 -1.043 14.281 -3.152 1.00 0.00 C ATOM 633 CG PRO A 45 -2.369 13.767 -2.708 1.00 0.00 C ATOM 634 CD PRO A 45 -2.083 12.782 -1.608 1.00 0.00 C ATOM 0 HA PRO A 45 0.872 14.076 -2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.128 15.282 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.610 13.644 -3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.003 14.579 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.898 13.289 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.873 12.778 -0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.002 11.765 -1.991 1.00 0.00 H new ATOM 642 N TRP A 46 -0.685 15.710 0.009 1.00 0.00 N ATOM 643 CA TRP A 46 -0.762 16.965 0.748 1.00 0.00 C ATOM 644 C TRP A 46 0.142 16.931 1.975 1.00 0.00 C ATOM 645 O TRP A 46 0.532 17.975 2.499 1.00 0.00 O ATOM 646 CB TRP A 46 -2.206 17.244 1.170 1.00 0.00 C ATOM 647 CG TRP A 46 -2.809 16.141 1.986 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.783 15.269 1.591 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.481 15.795 3.336 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.079 14.401 2.615 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.293 14.702 3.695 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.578 16.301 4.275 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.229 14.109 4.954 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.515 15.711 5.523 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.336 14.625 5.853 1.00 0.00 C ATOM 0 H TRP A 46 -1.025 14.897 0.522 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.421 17.766 0.092 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.237 18.170 1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.814 17.401 0.279 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.251 15.262 0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.772 13.654 2.577 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.941 17.138 4.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.861 13.272 5.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.821 16.094 6.257 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.263 14.186 6.837 1.00 0.00 H new ATOM 666 N CYS A 47 0.472 15.727 2.427 1.00 0.00 N ATOM 667 CA CYS A 47 1.332 15.558 3.594 1.00 0.00 C ATOM 668 C CYS A 47 2.796 15.771 3.226 1.00 0.00 C ATOM 669 O CYS A 47 3.126 16.022 2.067 1.00 0.00 O ATOM 670 CB CYS A 47 1.142 14.164 4.194 1.00 0.00 C ATOM 671 SG CYS A 47 1.308 14.107 5.994 1.00 0.00 S ATOM 0 H CYS A 47 0.158 14.854 2.004 1.00 0.00 H new ATOM 0 HA CYS A 47 1.050 16.307 4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.155 13.793 3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.872 13.487 3.751 1.00 0.00 H new ATOM 0 HG CYS A 47 1.826 12.968 6.346 1.00 0.00 H new ATOM 677 N GLY A 48 3.672 15.672 4.222 1.00 0.00 N ATOM 678 CA GLY A 48 5.091 15.859 3.983 1.00 0.00 C ATOM 679 C GLY A 48 5.852 14.548 3.952 1.00 0.00 C ATOM 680 O GLY A 48 6.325 14.122 2.898 1.00 0.00 O ATOM 0 H GLY A 48 3.424 15.466 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.231 16.379 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.506 16.498 4.762 1.00 0.00 H new ATOM 684 N HIS A 49 5.971 13.908 5.110 1.00 0.00 N ATOM 685 CA HIS A 49 6.681 12.637 5.211 1.00 0.00 C ATOM 686 C HIS A 49 6.270 11.694 4.085 1.00 0.00 C ATOM 687 O HIS A 49 7.012 10.779 3.726 1.00 0.00 O ATOM 688 CB HIS A 49 6.409 11.983 6.566 1.00 0.00 C ATOM 689 CG HIS A 49 4.967 12.022 6.970 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.545 12.456 8.209 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.847 11.679 6.291 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.228 12.377 8.275 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.780 11.909 7.124 1.00 0.00 N ATOM 0 H HIS A 49 5.586 14.247 5.991 1.00 0.00 H new ATOM 0 HA HIS A 49 7.749 12.837 5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.741 10.945 6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.005 12.484 7.329 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.154 12.786 8.957 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.801 11.296 5.282 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.621 12.649 9.126 1.00 0.00 H new ATOM 702 N CYS A 50 5.084 11.922 3.532 1.00 0.00 N ATOM 703 CA CYS A 50 4.573 11.091 2.448 1.00 0.00 C ATOM 704 C CYS A 50 5.188 11.500 1.114 1.00 0.00 C ATOM 705 O CYS A 50 5.644 10.653 0.345 1.00 0.00 O ATOM 706 CB CYS A 50 3.049 11.194 2.373 1.00 0.00 C ATOM 707 SG CYS A 50 2.180 10.193 3.603 1.00 0.00 S ATOM 0 H CYS A 50 4.458 12.676 3.817 1.00 0.00 H new ATOM 0 HA CYS A 50 4.850 10.057 2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.759 12.237 2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.724 10.891 1.378 1.00 0.00 H new ATOM 0 HG CYS A 50 1.559 10.973 4.437 1.00 0.00 H new ATOM 713 N GLN A 51 5.196 12.801 0.845 1.00 0.00 N ATOM 714 CA GLN A 51 5.754 13.321 -0.398 1.00 0.00 C ATOM 715 C GLN A 51 7.215 12.912 -0.552 1.00 0.00 C ATOM 716 O GLN A 51 7.717 12.778 -1.668 1.00 0.00 O ATOM 717 CB GLN A 51 5.632 14.846 -0.438 1.00 0.00 C ATOM 718 CG GLN A 51 4.196 15.339 -0.523 1.00 0.00 C ATOM 719 CD GLN A 51 4.080 16.835 -0.309 1.00 0.00 C ATOM 720 OE1 GLN A 51 5.076 17.558 -0.344 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.859 17.308 -0.085 1.00 0.00 N ATOM 0 H GLN A 51 4.823 13.515 1.471 1.00 0.00 H new ATOM 0 HA GLN A 51 5.188 12.896 -1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.098 15.263 0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.189 15.224 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.785 15.082 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.593 14.821 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.062 16.672 -0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.719 18.307 0.067 1.00 0.00 H new ATOM 730 N ARG A 52 7.892 12.716 0.575 1.00 0.00 N ATOM 731 CA ARG A 52 9.296 12.324 0.565 1.00 0.00 C ATOM 732 C ARG A 52 9.436 10.808 0.470 1.00 0.00 C ATOM 733 O ARG A 52 10.544 10.282 0.359 1.00 0.00 O ATOM 734 CB ARG A 52 9.999 12.835 1.824 1.00 0.00 C ATOM 735 CG ARG A 52 9.847 11.913 3.023 1.00 0.00 C ATOM 736 CD ARG A 52 10.763 12.327 4.164 1.00 0.00 C ATOM 737 NE ARG A 52 10.518 11.546 5.373 1.00 0.00 N ATOM 738 CZ ARG A 52 11.399 11.423 6.359 1.00 0.00 C ATOM 739 NH1 ARG A 52 12.577 12.027 6.280 1.00 0.00 N ATOM 740 NH2 ARG A 52 11.103 10.695 7.428 1.00 0.00 N ATOM 0 H ARG A 52 7.491 12.822 1.507 1.00 0.00 H new ATOM 0 HA ARG A 52 9.766 12.770 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.060 12.967 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.601 13.817 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.812 11.925 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.073 10.889 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.802 12.205 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.617 13.385 4.380 1.00 0.00 H new ATOM 0 HE ARG A 52 9.621 11.069 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.809 12.588 5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.251 11.931 7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.198 10.229 7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.780 10.601 8.185 1.00 0.00 H new ATOM 754 N LEU A 53 8.306 10.110 0.516 1.00 0.00 N ATOM 755 CA LEU A 53 8.303 8.654 0.436 1.00 0.00 C ATOM 756 C LEU A 53 8.022 8.187 -0.989 1.00 0.00 C ATOM 757 O LEU A 53 7.893 6.991 -1.248 1.00 0.00 O ATOM 758 CB LEU A 53 7.257 8.074 1.390 1.00 0.00 C ATOM 759 CG LEU A 53 7.325 6.564 1.623 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.645 6.184 2.276 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.154 6.103 2.478 1.00 0.00 C ATOM 0 H LEU A 53 7.381 10.529 0.608 1.00 0.00 H new ATOM 0 HA LEU A 53 9.291 8.297 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.355 8.575 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.267 8.318 1.004 1.00 0.00 H new ATOM 0 HG LEU A 53 7.263 6.064 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.676 5.106 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.470 6.479 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.737 6.694 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.219 5.026 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.185 6.611 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.218 6.341 1.972 1.00 0.00 H new ATOM 773 N THR A 54 7.930 9.141 -1.911 1.00 0.00 N ATOM 774 CA THR A 54 7.666 8.828 -3.310 1.00 0.00 C ATOM 775 C THR A 54 8.837 8.081 -3.937 1.00 0.00 C ATOM 776 O THR A 54 8.675 7.028 -4.554 1.00 0.00 O ATOM 777 CB THR A 54 7.388 10.104 -4.127 1.00 0.00 C ATOM 778 OG1 THR A 54 6.877 11.132 -3.272 1.00 0.00 O ATOM 779 CG2 THR A 54 6.392 9.825 -5.244 1.00 0.00 C ATOM 0 H THR A 54 8.034 10.136 -1.714 1.00 0.00 H new ATOM 0 HA THR A 54 6.781 8.192 -3.331 1.00 0.00 H new ATOM 0 HB THR A 54 8.326 10.435 -4.572 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.614 11.705 -2.973 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.211 10.740 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.796 9.063 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.454 9.472 -4.815 1.00 0.00 H new ATOM 787 N PRO A 55 10.048 8.637 -3.777 1.00 0.00 N ATOM 788 CA PRO A 55 11.271 8.039 -4.320 1.00 0.00 C ATOM 789 C PRO A 55 11.657 6.752 -3.598 1.00 0.00 C ATOM 790 O PRO A 55 12.130 5.800 -4.217 1.00 0.00 O ATOM 791 CB PRO A 55 12.328 9.121 -4.088 1.00 0.00 C ATOM 792 CG PRO A 55 11.814 9.911 -2.935 1.00 0.00 C ATOM 793 CD PRO A 55 10.315 9.891 -3.054 1.00 0.00 C ATOM 0 HA PRO A 55 11.156 7.754 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.301 8.683 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.455 9.747 -4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.136 9.476 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.194 10.932 -2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.834 9.901 -2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.944 10.757 -3.601 1.00 0.00 H new ATOM 801 N GLU A 56 11.452 6.732 -2.284 1.00 0.00 N ATOM 802 CA GLU A 56 11.780 5.562 -1.478 1.00 0.00 C ATOM 803 C GLU A 56 10.854 4.396 -1.811 1.00 0.00 C ATOM 804 O GLU A 56 11.303 3.263 -1.986 1.00 0.00 O ATOM 805 CB GLU A 56 11.682 5.897 0.011 1.00 0.00 C ATOM 806 CG GLU A 56 12.783 6.824 0.500 1.00 0.00 C ATOM 807 CD GLU A 56 12.384 7.598 1.742 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.714 7.011 2.617 1.00 0.00 O ATOM 809 OE2 GLU A 56 12.742 8.791 1.838 1.00 0.00 O ATOM 0 H GLU A 56 11.061 7.512 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 56 12.804 5.268 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.715 6.360 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.716 4.972 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.678 6.239 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.042 7.525 -0.293 1.00 0.00 H new ATOM 816 N TRP A 57 9.560 4.682 -1.896 1.00 0.00 N ATOM 817 CA TRP A 57 8.570 3.657 -2.206 1.00 0.00 C ATOM 818 C TRP A 57 8.729 3.163 -3.640 1.00 0.00 C ATOM 819 O TRP A 57 8.642 1.964 -3.908 1.00 0.00 O ATOM 820 CB TRP A 57 7.157 4.204 -1.996 1.00 0.00 C ATOM 821 CG TRP A 57 6.096 3.146 -2.051 1.00 0.00 C ATOM 822 CD1 TRP A 57 5.025 3.102 -2.897 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.005 1.980 -1.224 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.273 1.980 -2.646 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.854 1.275 -1.625 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.784 1.463 -0.186 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.465 0.081 -1.022 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.397 0.279 0.412 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.246 -0.402 -0.008 1.00 0.00 C ATOM 0 H TRP A 57 9.172 5.615 -1.755 1.00 0.00 H new ATOM 0 HA TRP A 57 8.731 2.816 -1.532 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.109 4.706 -1.030 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.950 4.956 -2.757 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.802 3.841 -3.653 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.421 1.715 -3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.673 1.980 0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.578 -0.445 -1.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.991 -0.129 1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.970 -1.326 0.478 1.00 0.00 H new ATOM 840 N LYS A 58 8.963 4.093 -4.559 1.00 0.00 N ATOM 841 CA LYS A 58 9.137 3.752 -5.966 1.00 0.00 C ATOM 842 C LYS A 58 10.275 2.754 -6.148 1.00 0.00 C ATOM 843 O LYS A 58 10.101 1.704 -6.766 1.00 0.00 O ATOM 844 CB LYS A 58 9.414 5.014 -6.787 1.00 0.00 C ATOM 845 CG LYS A 58 8.156 5.754 -7.209 1.00 0.00 C ATOM 846 CD LYS A 58 8.486 7.075 -7.883 1.00 0.00 C ATOM 847 CE LYS A 58 7.250 7.948 -8.034 1.00 0.00 C ATOM 848 NZ LYS A 58 7.573 9.265 -8.648 1.00 0.00 N ATOM 0 H LYS A 58 9.037 5.090 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 58 8.214 3.291 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.042 5.687 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.981 4.741 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.578 5.131 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.530 5.936 -6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.238 7.605 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.921 6.885 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.513 7.431 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.795 8.105 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.704 9.830 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.257 9.769 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.984 9.117 -9.592 1.00 0.00 H new ATOM 862 N LYS A 59 11.441 3.088 -5.605 1.00 0.00 N ATOM 863 CA LYS A 59 12.608 2.220 -5.704 1.00 0.00 C ATOM 864 C LYS A 59 12.222 0.761 -5.486 1.00 0.00 C ATOM 865 O LYS A 59 12.516 -0.100 -6.315 1.00 0.00 O ATOM 866 CB LYS A 59 13.668 2.636 -4.682 1.00 0.00 C ATOM 867 CG LYS A 59 14.662 3.653 -5.215 1.00 0.00 C ATOM 868 CD LYS A 59 15.697 4.025 -4.167 1.00 0.00 C ATOM 869 CE LYS A 59 15.248 5.220 -3.340 1.00 0.00 C ATOM 870 NZ LYS A 59 15.473 6.506 -4.056 1.00 0.00 N ATOM 0 H LYS A 59 11.603 3.954 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 59 13.020 2.322 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.172 3.051 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.210 1.750 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.163 3.247 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.130 4.549 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.874 3.173 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.644 4.254 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.190 5.118 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.790 5.231 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.154 7.296 -3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.486 6.615 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.936 6.506 -4.947 1.00 0.00 H new ATOM 884 N ALA A 60 11.560 0.490 -4.366 1.00 0.00 N ATOM 885 CA ALA A 60 11.130 -0.864 -4.041 1.00 0.00 C ATOM 886 C ALA A 60 10.226 -1.430 -5.131 1.00 0.00 C ATOM 887 O ALA A 60 10.305 -2.612 -5.465 1.00 0.00 O ATOM 888 CB ALA A 60 10.416 -0.883 -2.697 1.00 0.00 C ATOM 0 H ALA A 60 11.310 1.191 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 60 12.017 -1.495 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.100 -1.901 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.094 -0.529 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.542 -0.233 -2.740 1.00 0.00 H new ATOM 894 N ALA A 61 9.367 -0.579 -5.681 1.00 0.00 N ATOM 895 CA ALA A 61 8.449 -0.994 -6.734 1.00 0.00 C ATOM 896 C ALA A 61 9.205 -1.376 -8.002 1.00 0.00 C ATOM 897 O ALA A 61 8.798 -2.281 -8.731 1.00 0.00 O ATOM 898 CB ALA A 61 7.447 0.114 -7.028 1.00 0.00 C ATOM 0 H ALA A 61 9.288 0.402 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 61 7.909 -1.874 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.768 -0.210 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.877 0.337 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.979 1.009 -7.352 1.00 0.00 H new ATOM 904 N THR A 62 10.307 -0.679 -8.261 1.00 0.00 N ATOM 905 CA THR A 62 11.119 -0.944 -9.442 1.00 0.00 C ATOM 906 C THR A 62 11.787 -2.312 -9.355 1.00 0.00 C ATOM 907 O THR A 62 11.813 -3.064 -10.329 1.00 0.00 O ATOM 908 CB THR A 62 12.204 0.133 -9.632 1.00 0.00 C ATOM 909 OG1 THR A 62 11.606 1.434 -9.638 1.00 0.00 O ATOM 910 CG2 THR A 62 12.964 -0.087 -10.931 1.00 0.00 C ATOM 0 H THR A 62 10.658 0.074 -7.668 1.00 0.00 H new ATOM 0 HA THR A 62 10.445 -0.925 -10.299 1.00 0.00 H new ATOM 0 HB THR A 62 12.907 0.060 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.302 2.113 -9.758 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.725 0.686 -11.043 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.442 -1.066 -10.912 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.271 -0.038 -11.771 1.00 0.00 H new ATOM 918 N ALA A 63 12.326 -2.628 -8.182 1.00 0.00 N ATOM 919 CA ALA A 63 12.992 -3.907 -7.967 1.00 0.00 C ATOM 920 C ALA A 63 11.977 -5.034 -7.806 1.00 0.00 C ATOM 921 O ALA A 63 12.123 -6.104 -8.398 1.00 0.00 O ATOM 922 CB ALA A 63 13.898 -3.832 -6.747 1.00 0.00 C ATOM 0 H ALA A 63 12.315 -2.016 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 63 13.601 -4.124 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.389 -4.794 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.652 -3.060 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.303 -3.588 -5.867 1.00 0.00 H new ATOM 928 N LEU A 64 10.949 -4.788 -7.001 1.00 0.00 N ATOM 929 CA LEU A 64 9.909 -5.783 -6.762 1.00 0.00 C ATOM 930 C LEU A 64 8.822 -5.702 -7.828 1.00 0.00 C ATOM 931 O LEU A 64 7.771 -6.331 -7.708 1.00 0.00 O ATOM 932 CB LEU A 64 9.295 -5.583 -5.375 1.00 0.00 C ATOM 933 CG LEU A 64 10.281 -5.335 -4.233 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.556 -4.804 -3.007 1.00 0.00 C ATOM 935 CD2 LEU A 64 11.039 -6.611 -3.896 1.00 0.00 C ATOM 0 H LEU A 64 10.813 -3.908 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 64 10.367 -6.771 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.606 -4.740 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.703 -6.465 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 64 11.001 -4.583 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.274 -4.634 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.060 -3.866 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.813 -5.531 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.736 -6.416 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.333 -7.384 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.591 -6.948 -4.773 1.00 0.00 H new ATOM 947 N LYS A 65 9.083 -4.924 -8.874 1.00 0.00 N ATOM 948 CA LYS A 65 8.129 -4.763 -9.965 1.00 0.00 C ATOM 949 C LYS A 65 7.652 -6.119 -10.475 1.00 0.00 C ATOM 950 O LYS A 65 6.455 -6.332 -10.672 1.00 0.00 O ATOM 951 CB LYS A 65 8.763 -3.970 -11.110 1.00 0.00 C ATOM 952 CG LYS A 65 8.132 -4.247 -12.464 1.00 0.00 C ATOM 953 CD LYS A 65 8.889 -3.554 -13.584 1.00 0.00 C ATOM 954 CE LYS A 65 8.394 -2.132 -13.796 1.00 0.00 C ATOM 955 NZ LYS A 65 7.120 -2.096 -14.566 1.00 0.00 N ATOM 0 H LYS A 65 9.948 -4.395 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 65 7.268 -4.215 -9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.682 -2.905 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.826 -4.205 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.115 -5.322 -12.646 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.096 -3.908 -12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.953 -3.538 -13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.774 -4.122 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.247 -1.651 -12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.154 -1.558 -14.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.816 -1.109 -14.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.266 -2.532 -15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.387 -2.622 -14.049 1.00 0.00 H new ATOM 969 N ASP A 66 8.594 -7.032 -10.686 1.00 0.00 N ATOM 970 CA ASP A 66 8.268 -8.368 -11.170 1.00 0.00 C ATOM 971 C ASP A 66 8.101 -9.342 -10.008 1.00 0.00 C ATOM 972 O ASP A 66 7.453 -10.380 -10.142 1.00 0.00 O ATOM 973 CB ASP A 66 9.359 -8.869 -12.119 1.00 0.00 C ATOM 974 CG ASP A 66 9.187 -8.340 -13.529 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.837 -7.150 -13.678 1.00 0.00 O ATOM 976 OD2 ASP A 66 9.402 -9.116 -14.484 1.00 0.00 O ATOM 0 H ASP A 66 9.589 -6.871 -10.529 1.00 0.00 H new ATOM 0 HA ASP A 66 7.323 -8.311 -11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.335 -8.568 -11.738 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.347 -9.959 -12.139 1.00 0.00 H new ATOM 981 N VAL A 67 8.692 -9.001 -8.867 1.00 0.00 N ATOM 982 CA VAL A 67 8.609 -9.844 -7.681 1.00 0.00 C ATOM 983 C VAL A 67 7.319 -9.583 -6.910 1.00 0.00 C ATOM 984 O VAL A 67 6.442 -10.444 -6.836 1.00 0.00 O ATOM 985 CB VAL A 67 9.809 -9.615 -6.744 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.044 -10.837 -5.868 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.056 -9.278 -7.548 1.00 0.00 C ATOM 0 H VAL A 67 9.234 -8.146 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 67 8.620 -10.878 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 67 9.584 -8.770 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.896 -10.656 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.156 -11.028 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.248 -11.703 -6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.894 -9.119 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.287 -10.102 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.881 -8.371 -8.127 1.00 0.00 H new ATOM 997 N VAL A 68 7.210 -8.389 -6.337 1.00 0.00 N ATOM 998 CA VAL A 68 6.027 -8.013 -5.573 1.00 0.00 C ATOM 999 C VAL A 68 5.384 -6.752 -6.140 1.00 0.00 C ATOM 1000 O VAL A 68 5.995 -5.684 -6.157 1.00 0.00 O ATOM 1001 CB VAL A 68 6.368 -7.779 -4.089 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.145 -7.285 -3.331 1.00 0.00 C ATOM 1003 CG2 VAL A 68 6.917 -9.051 -3.462 1.00 0.00 C ATOM 0 H VAL A 68 7.927 -7.665 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 68 5.324 -8.842 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 68 7.138 -7.010 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.405 -7.125 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.801 -6.347 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.351 -8.028 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.153 -8.868 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.171 -9.843 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.821 -9.356 -3.989 1.00 0.00 H new ATOM 1013 N LYS A 69 4.146 -6.884 -6.604 1.00 0.00 N ATOM 1014 CA LYS A 69 3.417 -5.756 -7.172 1.00 0.00 C ATOM 1015 C LYS A 69 3.255 -4.640 -6.144 1.00 0.00 C ATOM 1016 O LYS A 69 2.374 -4.696 -5.285 1.00 0.00 O ATOM 1017 CB LYS A 69 2.042 -6.208 -7.669 1.00 0.00 C ATOM 1018 CG LYS A 69 2.098 -7.033 -8.944 1.00 0.00 C ATOM 1019 CD LYS A 69 2.111 -6.149 -10.180 1.00 0.00 C ATOM 1020 CE LYS A 69 2.646 -6.895 -11.392 1.00 0.00 C ATOM 1021 NZ LYS A 69 2.970 -5.970 -12.514 1.00 0.00 N ATOM 0 H LYS A 69 3.626 -7.762 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 69 3.992 -5.371 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.557 -6.794 -6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.420 -5.330 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.990 -7.659 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.239 -7.702 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.101 -5.795 -10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.726 -5.269 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.540 -7.452 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.908 -7.625 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.332 -6.517 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.112 -5.457 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.693 -5.289 -12.205 1.00 0.00 H new ATOM 1035 N VAL A 70 4.110 -3.627 -6.237 1.00 0.00 N ATOM 1036 CA VAL A 70 4.059 -2.497 -5.317 1.00 0.00 C ATOM 1037 C VAL A 70 3.220 -1.360 -5.889 1.00 0.00 C ATOM 1038 O VAL A 70 3.663 -0.631 -6.775 1.00 0.00 O ATOM 1039 CB VAL A 70 5.471 -1.968 -5.000 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.392 -0.718 -4.138 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.301 -3.045 -4.317 1.00 0.00 C ATOM 0 H VAL A 70 4.846 -3.566 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 70 3.598 -2.858 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 70 5.960 -1.703 -5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.399 -0.359 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.836 0.055 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.884 -0.953 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.295 -2.655 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.817 -3.342 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.386 -3.910 -4.974 1.00 0.00 H new ATOM 1051 N GLY A 71 2.002 -1.214 -5.374 1.00 0.00 N ATOM 1052 CA GLY A 71 1.119 -0.163 -5.844 1.00 0.00 C ATOM 1053 C GLY A 71 1.151 1.063 -4.954 1.00 0.00 C ATOM 1054 O GLY A 71 2.068 1.231 -4.150 1.00 0.00 O ATOM 0 H GLY A 71 1.612 -1.805 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.404 0.120 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.099 -0.545 -5.894 1.00 0.00 H new ATOM 1058 N ALA A 72 0.148 1.924 -5.098 1.00 0.00 N ATOM 1059 CA ALA A 72 0.065 3.141 -4.300 1.00 0.00 C ATOM 1060 C ALA A 72 -1.324 3.763 -4.390 1.00 0.00 C ATOM 1061 O ALA A 72 -1.794 4.101 -5.477 1.00 0.00 O ATOM 1062 CB ALA A 72 1.123 4.139 -4.748 1.00 0.00 C ATOM 0 H ALA A 72 -0.618 1.801 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 72 0.249 2.876 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.049 5.043 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.113 3.700 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.965 4.390 -5.797 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.978 3.909 -3.242 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.314 4.491 -3.192 1.00 0.00 C ATOM 1070 C VAL A 73 -3.304 5.827 -2.457 1.00 0.00 C ATOM 1071 O VAL A 73 -2.884 5.909 -1.304 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.312 3.544 -2.500 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.468 4.332 -1.901 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.821 2.498 -3.481 1.00 0.00 C ATOM 0 H VAL A 73 -1.604 3.632 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.630 4.650 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.796 3.029 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.163 3.646 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.084 5.039 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.986 4.875 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.525 1.837 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.321 2.993 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.982 1.914 -3.858 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.772 6.871 -3.133 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.817 8.205 -2.544 1.00 0.00 C ATOM 1086 C ASN A 74 -4.875 8.279 -1.447 1.00 0.00 C ATOM 1087 O ASN A 74 -6.027 8.628 -1.705 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.109 9.251 -3.622 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.219 10.652 -3.052 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.969 10.874 -1.868 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.596 11.606 -3.896 1.00 0.00 N ATOM 0 H ASN A 74 -4.125 6.819 -4.088 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.844 8.413 -2.100 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.318 9.227 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.038 8.995 -4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.688 12.568 -3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.793 11.376 -4.870 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.474 7.950 -0.224 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.386 7.982 0.913 1.00 0.00 C ATOM 1100 C ALA A 75 -6.262 9.230 0.879 1.00 0.00 C ATOM 1101 O ALA A 75 -7.448 9.177 1.204 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.606 7.917 2.217 1.00 0.00 C ATOM 0 H ALA A 75 -3.524 7.658 0.005 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.038 7.111 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.300 7.942 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.029 6.993 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.930 8.770 2.279 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.670 10.352 0.485 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.396 11.614 0.408 1.00 0.00 C ATOM 1110 C ASP A 76 -7.538 11.523 -0.599 1.00 0.00 C ATOM 1111 O ASP A 76 -8.664 11.935 -0.316 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.448 12.750 0.022 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.152 14.091 -0.056 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.840 14.457 0.920 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.017 14.773 -1.093 1.00 0.00 O ATOM 0 H ASP A 76 -4.689 10.413 0.214 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.818 11.822 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.640 12.809 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.991 12.526 -0.942 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.241 10.984 -1.776 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.242 10.838 -2.826 1.00 0.00 C ATOM 1122 C LYS A 77 -9.117 9.614 -2.578 1.00 0.00 C ATOM 1123 O LYS A 77 -10.336 9.728 -2.441 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.563 10.724 -4.193 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.504 10.295 -5.306 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.758 9.594 -6.428 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.035 10.589 -7.323 1.00 0.00 C ATOM 1128 NZ LYS A 77 -7.986 11.404 -8.128 1.00 0.00 N ATOM 0 H LYS A 77 -6.314 10.641 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.877 11.724 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.123 11.687 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.745 10.007 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.266 9.628 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.022 11.168 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.038 8.893 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.460 9.010 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.420 11.248 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.360 10.053 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.484 11.826 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.755 10.797 -8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.384 12.160 -7.535 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.489 8.444 -2.519 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.212 7.199 -2.284 1.00 0.00 C ATOM 1144 C HIS A 78 -9.485 7.002 -0.796 1.00 0.00 C ATOM 1145 O HIS A 78 -9.358 5.894 -0.275 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.417 6.013 -2.831 1.00 0.00 C ATOM 1147 CG HIS A 78 -8.051 6.152 -4.277 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.885 5.913 -4.922 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.938 6.587 -5.239 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -7.087 6.203 -6.249 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.334 6.607 -6.414 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.481 8.332 -2.631 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.167 7.258 -2.805 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.506 5.895 -2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.001 5.103 -2.699 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.965 6.867 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.347 6.115 -7.031 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.758 6.887 -7.298 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.860 8.083 -0.120 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.149 8.027 1.308 1.00 0.00 C ATOM 1162 C GLN A 79 -10.925 6.762 1.658 1.00 0.00 C ATOM 1163 O GLN A 79 -10.781 6.215 2.751 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.943 9.262 1.737 1.00 0.00 C ATOM 1165 CG GLN A 79 -10.070 10.454 2.095 1.00 0.00 C ATOM 1166 CD GLN A 79 -9.409 10.307 3.451 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -9.890 9.569 4.312 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -8.301 11.011 3.650 1.00 0.00 N ATOM 0 H GLN A 79 -9.971 9.007 -0.537 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.200 8.009 1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.619 9.547 0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.562 9.005 2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.302 10.579 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.677 11.359 2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.937 11.610 2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.813 10.953 4.544 1.00 0.00 H new ATOM 1177 N SER A 80 -11.749 6.301 0.722 1.00 0.00 N ATOM 1178 CA SER A 80 -12.552 5.103 0.932 1.00 0.00 C ATOM 1179 C SER A 80 -11.662 3.873 1.086 1.00 0.00 C ATOM 1180 O SER A 80 -11.812 3.097 2.031 1.00 0.00 O ATOM 1181 CB SER A 80 -13.522 4.901 -0.233 1.00 0.00 C ATOM 1182 OG SER A 80 -12.827 4.812 -1.465 1.00 0.00 O ATOM 0 H SER A 80 -11.878 6.740 -0.190 1.00 0.00 H new ATOM 0 HA SER A 80 -13.123 5.236 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.103 3.993 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.229 5.730 -0.270 1.00 0.00 H new ATOM 0 HG SER A 80 -13.469 4.681 -2.194 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.734 3.701 0.151 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.818 2.566 0.180 1.00 0.00 C ATOM 1190 C LEU A 81 -9.054 2.518 1.499 1.00 0.00 C ATOM 1191 O LEU A 81 -9.039 1.495 2.183 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.836 2.648 -0.989 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.418 2.370 -2.375 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.341 2.496 -3.442 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.055 0.989 -2.419 1.00 0.00 C ATOM 0 H LEU A 81 -10.596 4.334 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.406 1.653 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.393 3.644 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.027 1.940 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.191 3.111 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.774 2.295 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.931 3.506 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.545 1.778 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.464 0.808 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.302 0.234 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.856 0.934 -1.682 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.421 3.633 1.852 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.665 3.697 3.089 1.00 0.00 C ATOM 1209 C GLY A 82 -8.507 3.352 4.302 1.00 0.00 C ATOM 1210 O GLY A 82 -8.217 2.393 5.015 1.00 0.00 O ATOM 0 H GLY A 82 -8.418 4.493 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.820 3.011 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.254 4.700 3.209 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.553 4.138 4.537 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.423 3.896 5.673 1.00 0.00 C ATOM 1216 C GLY A 83 -11.022 2.504 5.658 1.00 0.00 C ATOM 1217 O GLY A 83 -11.132 1.858 6.700 1.00 0.00 O ATOM 0 H GLY A 83 -9.814 4.938 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.859 4.035 6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.226 4.634 5.676 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.412 2.041 4.474 1.00 0.00 N ATOM 1222 CA GLN A 84 -12.005 0.718 4.329 1.00 0.00 C ATOM 1223 C GLN A 84 -11.143 -0.343 5.006 1.00 0.00 C ATOM 1224 O GLN A 84 -11.617 -1.435 5.320 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.187 0.376 2.849 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.881 -0.955 2.613 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.583 -1.017 1.271 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.801 -1.184 1.201 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.816 -0.883 0.195 1.00 0.00 N ATOM 0 H GLN A 84 -11.328 2.563 3.602 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.981 0.731 4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.764 1.167 2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.210 0.357 2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.147 -1.759 2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.607 -1.128 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.811 -0.746 0.299 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.232 -0.917 -0.736 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.875 -0.014 5.226 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.945 -0.940 5.863 1.00 0.00 C ATOM 1240 C TYR A 85 -8.675 -0.533 7.308 1.00 0.00 C ATOM 1241 O TYR A 85 -8.564 -1.380 8.193 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.631 -0.992 5.082 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.694 -1.863 3.847 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.497 -1.514 2.768 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.953 -3.034 3.760 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.559 -2.306 1.638 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.007 -3.832 2.634 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.812 -3.464 1.576 1.00 0.00 C ATOM 1249 OH TYR A 85 -7.870 -4.257 0.452 1.00 0.00 O ATOM 0 H TYR A 85 -9.467 0.886 4.973 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.400 -1.930 5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.352 0.020 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.843 -1.362 5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.083 -0.608 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.323 -3.326 4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.188 -2.020 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.422 -4.739 2.582 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.630 -3.726 -0.336 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.572 0.772 7.539 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.317 1.271 8.878 1.00 0.00 C ATOM 1261 C GLY A 86 -7.189 2.283 8.915 1.00 0.00 C ATOM 1262 O GLY A 86 -6.559 2.484 9.953 1.00 0.00 O ATOM 0 H GLY A 86 -8.661 1.493 6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.225 1.729 9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.073 0.435 9.533 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.932 2.921 7.778 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.871 3.918 7.683 1.00 0.00 C ATOM 1268 C VAL A 87 -6.267 5.209 8.391 1.00 0.00 C ATOM 1269 O VAL A 87 -7.271 5.833 8.049 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.528 4.234 6.216 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.372 5.221 6.139 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.200 2.956 5.458 1.00 0.00 C ATOM 0 H VAL A 87 -7.444 2.766 6.909 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.993 3.494 8.170 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.399 4.693 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.143 5.433 5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.649 6.146 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.494 4.792 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.960 3.198 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.345 2.466 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.060 2.287 5.484 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.469 5.604 9.379 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.737 6.822 10.135 1.00 0.00 C ATOM 1284 C GLN A 88 -4.624 7.844 9.931 1.00 0.00 C ATOM 1285 O GLN A 88 -4.878 9.045 9.843 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.884 6.501 11.623 1.00 0.00 C ATOM 1287 CG GLN A 88 -6.977 5.487 11.922 1.00 0.00 C ATOM 1288 CD GLN A 88 -8.358 5.994 11.559 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -8.549 7.184 11.307 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -9.332 5.091 11.530 1.00 0.00 N ATOM 0 H GLN A 88 -4.633 5.099 9.674 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.670 7.250 9.769 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.934 6.121 12.000 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.096 7.422 12.166 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.775 4.568 11.372 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.954 5.235 12.982 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.129 4.115 11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.283 5.374 11.292 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.387 7.360 9.857 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.254 8.245 9.664 1.00 0.00 C ATOM 1301 C GLY A 89 -1.272 7.716 8.638 1.00 0.00 C ATOM 1302 O GLY A 89 -0.827 6.571 8.726 1.00 0.00 O ATOM 0 H GLY A 89 -3.150 6.370 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.612 9.225 9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.740 8.385 10.615 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.934 8.549 7.660 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.001 8.158 6.610 1.00 0.00 C ATOM 1308 C PHE A 90 1.401 8.685 6.904 1.00 0.00 C ATOM 1309 O PHE A 90 1.591 9.601 7.704 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.479 8.677 5.253 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.937 9.039 5.229 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.889 8.167 5.733 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.355 10.251 4.704 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.231 8.498 5.712 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.696 10.587 4.681 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.634 9.709 5.186 1.00 0.00 C ATOM 0 H PHE A 90 -1.292 9.500 7.573 1.00 0.00 H new ATOM 0 HA PHE A 90 0.038 7.069 6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.109 9.553 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.289 7.917 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.579 7.219 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.625 10.941 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.964 7.810 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.009 11.535 4.269 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.682 9.969 5.170 1.00 0.00 H new ATOM 1326 N PRO A 91 2.406 8.093 6.242 1.00 0.00 N ATOM 1327 CA PRO A 91 2.191 7.000 5.288 1.00 0.00 C ATOM 1328 C PRO A 91 1.751 5.711 5.973 1.00 0.00 C ATOM 1329 O PRO A 91 2.121 5.445 7.117 1.00 0.00 O ATOM 1330 CB PRO A 91 3.566 6.820 4.640 1.00 0.00 C ATOM 1331 CG PRO A 91 4.532 7.325 5.655 1.00 0.00 C ATOM 1332 CD PRO A 91 3.830 8.443 6.375 1.00 0.00 C ATOM 0 HA PRO A 91 1.397 7.229 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.756 5.774 4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.641 7.381 3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.819 6.534 6.348 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.447 7.680 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.134 8.501 7.420 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.050 9.411 5.925 1.00 0.00 H new ATOM 1340 N THR A 92 0.960 4.911 5.266 1.00 0.00 N ATOM 1341 CA THR A 92 0.469 3.649 5.805 1.00 0.00 C ATOM 1342 C THR A 92 0.655 2.514 4.805 1.00 0.00 C ATOM 1343 O THR A 92 -0.115 2.379 3.855 1.00 0.00 O ATOM 1344 CB THR A 92 -1.020 3.742 6.187 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.191 4.660 7.273 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.565 2.377 6.580 1.00 0.00 C ATOM 0 H THR A 92 0.645 5.115 4.317 1.00 0.00 H new ATOM 0 HA THR A 92 1.054 3.440 6.701 1.00 0.00 H new ATOM 0 HB THR A 92 -1.573 4.100 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.358 5.156 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.618 2.468 6.846 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.461 1.688 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.007 1.995 7.435 1.00 0.00 H new ATOM 1354 N ILE A 93 1.682 1.699 5.026 1.00 0.00 N ATOM 1355 CA ILE A 93 1.967 0.574 4.145 1.00 0.00 C ATOM 1356 C ILE A 93 1.225 -0.679 4.595 1.00 0.00 C ATOM 1357 O ILE A 93 1.127 -0.962 5.789 1.00 0.00 O ATOM 1358 CB ILE A 93 3.476 0.271 4.090 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.247 1.497 3.594 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.743 -0.928 3.192 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.729 1.441 3.895 1.00 0.00 C ATOM 0 H ILE A 93 2.330 1.797 5.808 1.00 0.00 H new ATOM 0 HA ILE A 93 1.625 0.858 3.150 1.00 0.00 H new ATOM 0 HB ILE A 93 3.820 0.031 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.106 1.594 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.825 2.391 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.814 -1.130 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.220 -1.800 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.387 -0.714 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.212 2.342 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.879 1.376 4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.165 0.565 3.414 1.00 0.00 H new ATOM 1373 N LYS A 94 0.703 -1.429 3.630 1.00 0.00 N ATOM 1374 CA LYS A 94 -0.029 -2.656 3.925 1.00 0.00 C ATOM 1375 C LYS A 94 0.401 -3.783 2.993 1.00 0.00 C ATOM 1376 O LYS A 94 0.396 -3.627 1.771 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.535 -2.418 3.796 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.137 -1.673 4.975 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.375 -2.599 6.157 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.388 -2.012 7.128 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.527 -2.846 8.355 1.00 0.00 N ATOM 0 H LYS A 94 0.773 -1.209 2.637 1.00 0.00 H new ATOM 0 HA LYS A 94 0.200 -2.950 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.728 -1.854 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.038 -3.379 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.471 -0.864 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.080 -1.215 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.730 -3.565 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.433 -2.778 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.082 -1.004 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.356 -1.926 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.034 -2.307 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.061 -3.709 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.583 -3.105 8.708 1.00 0.00 H new ATOM 1395 N ILE A 95 0.769 -4.919 3.576 1.00 0.00 N ATOM 1396 CA ILE A 95 1.199 -6.073 2.796 1.00 0.00 C ATOM 1397 C ILE A 95 0.025 -6.998 2.490 1.00 0.00 C ATOM 1398 O ILE A 95 -0.813 -7.261 3.353 1.00 0.00 O ATOM 1399 CB ILE A 95 2.291 -6.874 3.530 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.524 -5.999 3.765 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.660 -8.117 2.735 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.365 -6.445 4.941 1.00 0.00 C ATOM 0 H ILE A 95 0.778 -5.065 4.585 1.00 0.00 H new ATOM 0 HA ILE A 95 1.608 -5.688 1.862 1.00 0.00 H new ATOM 0 HB ILE A 95 1.902 -7.188 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.140 -6.004 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.204 -4.970 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.433 -8.673 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.778 -8.747 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.034 -7.824 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.222 -5.780 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.765 -6.414 5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.715 -7.463 4.772 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.028 -7.489 1.256 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.099 -8.385 0.836 1.00 0.00 C ATOM 1416 C PHE A 96 -0.542 -9.749 0.438 1.00 0.00 C ATOM 1417 O PHE A 96 0.380 -9.843 -0.372 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.872 -7.776 -0.335 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.811 -6.676 0.073 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.321 -5.454 0.505 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.182 -6.865 0.026 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.181 -4.440 0.881 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.048 -5.855 0.401 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.547 -4.641 0.830 1.00 0.00 C ATOM 0 H PHE A 96 0.658 -7.282 0.530 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.777 -8.521 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.162 -7.385 -1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.440 -8.562 -0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.254 -5.292 0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.579 -7.812 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.786 -3.492 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.115 -6.015 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.222 -3.851 1.125 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.108 -10.804 1.014 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.656 -12.149 0.708 1.00 0.00 C ATOM 1436 C GLY A 97 -1.586 -13.213 1.256 1.00 0.00 C ATOM 1437 O GLY A 97 -2.576 -13.569 0.617 1.00 0.00 O ATOM 0 H GLY A 97 -1.872 -10.752 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.574 -12.264 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.342 -12.296 1.121 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.268 -13.722 2.441 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.083 -14.751 3.074 1.00 0.00 C ATOM 1443 C ALA A 98 -3.567 -14.508 2.822 1.00 0.00 C ATOM 1444 O ALA A 98 -4.244 -15.328 2.203 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.801 -14.803 4.568 1.00 0.00 C ATOM 0 H ALA A 98 -0.451 -13.438 2.982 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.819 -15.712 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.417 -15.576 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.748 -15.033 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.036 -13.838 5.016 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.067 -13.376 3.307 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.473 -13.026 3.135 1.00 0.00 C ATOM 1453 C ASN A 99 -5.616 -11.671 2.448 1.00 0.00 C ATOM 1454 O ASN A 99 -5.422 -10.625 3.067 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.183 -13.001 4.489 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.687 -12.866 4.351 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.298 -12.107 5.253 1.00 0.00 O flip ATOM 1458 ND2 ASN A 99 -8.292 -13.437 3.444 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.520 -12.686 3.822 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.936 -13.784 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.952 -13.916 5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.799 -12.171 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.782 -14.011 2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.304 -13.337 3.364 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.956 -11.698 1.164 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.127 -10.473 0.391 1.00 0.00 C ATOM 1467 C LYS A 100 -7.194 -9.580 1.017 1.00 0.00 C ATOM 1468 O LYS A 100 -7.245 -8.380 0.752 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.509 -10.806 -1.053 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.327 -11.217 -1.915 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.297 -10.105 -2.015 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.246 -10.412 -3.070 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.404 -11.580 -2.691 1.00 0.00 N ATOM 0 H LYS A 100 -6.119 -12.555 0.636 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.179 -9.935 0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.243 -11.612 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.991 -9.938 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.862 -12.109 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.677 -11.481 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.795 -9.167 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.814 -9.967 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.736 -10.611 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.611 -9.538 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.745 -11.799 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.865 -11.355 -1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.013 -12.404 -2.512 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.042 -10.174 1.850 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.107 -9.431 2.515 1.00 0.00 C ATOM 1489 C ASN A 101 -8.567 -8.668 3.721 1.00 0.00 C ATOM 1490 O ASN A 101 -9.077 -7.605 4.077 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.222 -10.381 2.955 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.124 -10.786 1.806 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -11.540 -9.950 1.004 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.432 -12.076 1.721 1.00 0.00 N ATOM 0 H ASN A 101 -8.013 -11.167 2.081 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.512 -8.711 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.781 -11.273 3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.819 -9.901 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.036 -12.408 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.065 -12.734 2.408 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.532 -9.218 4.347 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.921 -8.590 5.512 1.00 0.00 C ATOM 1503 C LYS A 102 -5.399 -8.610 5.405 1.00 0.00 C ATOM 1504 O LYS A 102 -4.743 -9.600 5.727 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.362 -9.304 6.792 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.862 -9.522 6.880 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.268 -10.059 8.242 1.00 0.00 C ATOM 1508 CE LYS A 102 -9.259 -11.580 8.267 1.00 0.00 C ATOM 1509 NZ LYS A 102 -9.165 -12.112 9.655 1.00 0.00 N ATOM 0 H LYS A 102 -7.099 -10.098 4.067 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.252 -7.552 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.859 -10.269 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.037 -8.721 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.379 -8.582 6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.175 -10.221 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.587 -9.678 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.264 -9.696 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.166 -11.956 7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.418 -11.948 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.162 -13.152 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.287 -11.774 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.981 -11.782 10.209 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.823 -7.490 4.943 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.372 -7.353 4.786 1.00 0.00 C ATOM 1525 C PRO A 103 -2.646 -7.291 6.125 1.00 0.00 C ATOM 1526 O PRO A 103 -3.277 -7.217 7.179 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.220 -6.029 4.033 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.446 -5.255 4.377 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.544 -6.270 4.541 1.00 0.00 C ATOM 0 HA PRO A 103 -2.936 -8.207 4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.318 -5.500 4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.143 -6.191 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.302 -4.684 5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.690 -4.540 3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.266 -5.962 5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.097 -6.417 3.613 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.318 -7.322 6.076 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.508 -7.269 7.287 1.00 0.00 C ATOM 1539 C GLU A 104 0.075 -5.874 7.491 1.00 0.00 C ATOM 1540 O GLU A 104 0.372 -5.167 6.528 1.00 0.00 O ATOM 1541 CB GLU A 104 0.620 -8.301 7.218 1.00 0.00 C ATOM 1542 CG GLU A 104 0.139 -9.708 6.906 1.00 0.00 C ATOM 1543 CD GLU A 104 1.220 -10.568 6.279 1.00 0.00 C ATOM 1544 OE1 GLU A 104 1.729 -10.189 5.203 1.00 0.00 O ATOM 1545 OE2 GLU A 104 1.556 -11.619 6.864 1.00 0.00 O ATOM 0 H GLU A 104 -0.781 -7.384 5.211 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.152 -7.502 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.336 -7.994 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.151 -8.310 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.209 -10.181 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.715 -9.655 6.231 1.00 0.00 H new ATOM 1552 N ASP A 105 0.236 -5.485 8.751 1.00 0.00 N ATOM 1553 CA ASP A 105 0.784 -4.175 9.083 1.00 0.00 C ATOM 1554 C ASP A 105 2.282 -4.124 8.795 1.00 0.00 C ATOM 1555 O ASP A 105 3.087 -4.687 9.537 1.00 0.00 O ATOM 1556 CB ASP A 105 0.524 -3.848 10.554 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.948 -3.636 10.849 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.761 -4.501 10.461 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -1.288 -2.605 11.466 1.00 0.00 O ATOM 0 H ASP A 105 -0.005 -6.058 9.559 1.00 0.00 H new ATOM 0 HA ASP A 105 0.287 -3.432 8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.903 -4.659 11.176 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.079 -2.951 10.827 1.00 0.00 H new ATOM 1564 N TYR A 106 2.647 -3.447 7.712 1.00 0.00 N ATOM 1565 CA TYR A 106 4.047 -3.325 7.324 1.00 0.00 C ATOM 1566 C TYR A 106 4.908 -2.905 8.512 1.00 0.00 C ATOM 1567 O TYR A 106 4.789 -1.787 9.013 1.00 0.00 O ATOM 1568 CB TYR A 106 4.197 -2.311 6.188 1.00 0.00 C ATOM 1569 CG TYR A 106 5.617 -2.165 5.690 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.498 -1.277 6.295 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.078 -2.914 4.614 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.797 -1.140 5.843 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.374 -2.785 4.156 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.230 -1.896 4.774 1.00 0.00 C ATOM 1575 OH TYR A 106 9.522 -1.763 4.320 1.00 0.00 O ATOM 0 H TYR A 106 1.993 -2.975 7.088 1.00 0.00 H new ATOM 0 HA TYR A 106 4.388 -4.301 6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.559 -2.612 5.357 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.839 -1.340 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.162 -0.684 7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.410 -3.610 4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.469 -0.445 6.324 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.716 -3.376 3.319 1.00 0.00 H new ATOM 0 HH TYR A 106 9.946 -0.997 4.760 1.00 0.00 H new ATOM 1585 N GLN A 107 5.775 -3.810 8.956 1.00 0.00 N ATOM 1586 CA GLN A 107 6.655 -3.534 10.084 1.00 0.00 C ATOM 1587 C GLN A 107 8.114 -3.493 9.640 1.00 0.00 C ATOM 1588 O GLN A 107 8.998 -3.995 10.332 1.00 0.00 O ATOM 1589 CB GLN A 107 6.471 -4.593 11.173 1.00 0.00 C ATOM 1590 CG GLN A 107 5.194 -4.421 11.979 1.00 0.00 C ATOM 1591 CD GLN A 107 5.121 -5.361 13.166 1.00 0.00 C ATOM 1592 OE1 GLN A 107 6.130 -5.928 13.586 1.00 0.00 O ATOM 1593 NE2 GLN A 107 3.924 -5.532 13.714 1.00 0.00 N ATOM 0 H GLN A 107 5.886 -4.740 8.552 1.00 0.00 H new ATOM 0 HA GLN A 107 6.390 -2.557 10.488 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.469 -5.580 10.711 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.325 -4.559 11.849 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.127 -3.392 12.331 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.334 -4.593 11.331 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.114 -5.042 13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.814 -6.153 14.515 1.00 0.00 H new ATOM 1602 N GLY A 108 8.357 -2.892 8.479 1.00 0.00 N ATOM 1603 CA GLY A 108 9.710 -2.798 7.962 1.00 0.00 C ATOM 1604 C GLY A 108 10.196 -1.365 7.870 1.00 0.00 C ATOM 1605 O GLY A 108 9.716 -0.491 8.590 1.00 0.00 O ATOM 0 H GLY A 108 7.642 -2.469 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.382 -3.366 8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.751 -3.257 6.974 1.00 0.00 H new ATOM 1609 N GLY A 109 11.155 -1.123 6.981 1.00 0.00 N ATOM 1610 CA GLY A 109 11.693 0.214 6.815 1.00 0.00 C ATOM 1611 C GLY A 109 11.058 0.955 5.655 1.00 0.00 C ATOM 1612 O GLY A 109 10.746 0.357 4.625 1.00 0.00 O ATOM 0 H GLY A 109 11.569 -1.830 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.538 0.781 7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.770 0.152 6.657 1.00 0.00 H new ATOM 1616 N ARG A 110 10.865 2.259 5.822 1.00 0.00 N ATOM 1617 CA ARG A 110 10.260 3.081 4.781 1.00 0.00 C ATOM 1618 C ARG A 110 11.303 3.513 3.755 1.00 0.00 C ATOM 1619 O ARG A 110 11.310 4.660 3.305 1.00 0.00 O ATOM 1620 CB ARG A 110 9.594 4.313 5.397 1.00 0.00 C ATOM 1621 CG ARG A 110 8.647 3.986 6.540 1.00 0.00 C ATOM 1622 CD ARG A 110 7.241 3.703 6.034 1.00 0.00 C ATOM 1623 NE ARG A 110 6.508 2.809 6.926 1.00 0.00 N ATOM 1624 CZ ARG A 110 5.185 2.690 6.924 1.00 0.00 C ATOM 1625 NH1 ARG A 110 4.453 3.406 6.080 1.00 0.00 N ATOM 1626 NH2 ARG A 110 4.591 1.855 7.766 1.00 0.00 N ATOM 0 H ARG A 110 11.119 2.769 6.668 1.00 0.00 H new ATOM 0 HA ARG A 110 9.503 2.482 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.367 4.990 5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.043 4.844 4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 110 9.020 3.120 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.621 4.819 7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.696 4.642 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 110 7.296 3.259 5.040 1.00 0.00 H new ATOM 0 HE ARG A 110 7.041 2.245 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.906 4.049 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.437 3.313 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.150 1.303 8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.575 1.765 7.763 1.00 0.00 H new ATOM 1640 N THR A 111 12.184 2.588 3.388 1.00 0.00 N ATOM 1641 CA THR A 111 13.233 2.873 2.417 1.00 0.00 C ATOM 1642 C THR A 111 13.249 1.831 1.304 1.00 0.00 C ATOM 1643 O THR A 111 13.273 0.629 1.566 1.00 0.00 O ATOM 1644 CB THR A 111 14.620 2.916 3.085 1.00 0.00 C ATOM 1645 OG1 THR A 111 14.747 1.840 4.021 1.00 0.00 O ATOM 1646 CG2 THR A 111 14.837 4.243 3.797 1.00 0.00 C ATOM 0 H THR A 111 12.192 1.634 3.749 1.00 0.00 H new ATOM 0 HA THR A 111 13.013 3.852 1.991 1.00 0.00 H new ATOM 0 HB THR A 111 15.377 2.811 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 111 15.632 1.874 4.440 1.00 0.00 H new ATOM 0 HG21 THR A 111 15.823 4.250 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 111 14.769 5.058 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 111 14.074 4.373 4.564 1.00 0.00 H new ATOM 1654 N GLY A 112 13.237 2.301 0.060 1.00 0.00 N ATOM 1655 CA GLY A 112 13.252 1.396 -1.075 1.00 0.00 C ATOM 1656 C GLY A 112 14.078 0.152 -0.814 1.00 0.00 C ATOM 1657 O GLY A 112 13.686 -0.951 -1.191 1.00 0.00 O ATOM 0 H GLY A 112 13.217 3.292 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.230 1.105 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.650 1.917 -1.946 1.00 0.00 H new ATOM 1661 N GLU A 113 15.226 0.331 -0.168 1.00 0.00 N ATOM 1662 CA GLU A 113 16.111 -0.786 0.140 1.00 0.00 C ATOM 1663 C GLU A 113 15.452 -1.746 1.127 1.00 0.00 C ATOM 1664 O GLU A 113 15.416 -2.956 0.903 1.00 0.00 O ATOM 1665 CB GLU A 113 17.434 -0.275 0.715 1.00 0.00 C ATOM 1666 CG GLU A 113 17.303 1.038 1.468 1.00 0.00 C ATOM 1667 CD GLU A 113 18.504 1.328 2.347 1.00 0.00 C ATOM 1668 OE1 GLU A 113 18.662 0.645 3.380 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.285 2.239 2.002 1.00 0.00 O ATOM 0 H GLU A 113 15.565 1.238 0.152 1.00 0.00 H new ATOM 0 HA GLU A 113 16.310 -1.324 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.845 -1.030 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.149 -0.148 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.175 1.851 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 113 16.404 1.011 2.084 1.00 0.00 H new ATOM 1676 N ALA A 114 14.932 -1.197 2.220 1.00 0.00 N ATOM 1677 CA ALA A 114 14.273 -2.003 3.240 1.00 0.00 C ATOM 1678 C ALA A 114 13.017 -2.668 2.688 1.00 0.00 C ATOM 1679 O ALA A 114 12.767 -3.848 2.937 1.00 0.00 O ATOM 1680 CB ALA A 114 13.930 -1.146 4.450 1.00 0.00 C ATOM 0 H ALA A 114 14.954 -0.197 2.422 1.00 0.00 H new ATOM 0 HA ALA A 114 14.963 -2.789 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.438 -1.761 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.844 -0.723 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.262 -0.340 4.147 1.00 0.00 H new ATOM 1686 N ILE A 115 12.230 -1.905 1.937 1.00 0.00 N ATOM 1687 CA ILE A 115 11.000 -2.421 1.350 1.00 0.00 C ATOM 1688 C ILE A 115 11.275 -3.652 0.493 1.00 0.00 C ATOM 1689 O ILE A 115 10.534 -4.634 0.542 1.00 0.00 O ATOM 1690 CB ILE A 115 10.297 -1.356 0.488 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.902 -0.153 1.346 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.074 -1.950 -0.195 1.00 0.00 C ATOM 1693 CD1 ILE A 115 9.903 1.156 0.589 1.00 0.00 C ATOM 0 H ILE A 115 12.423 -0.927 1.721 1.00 0.00 H new ATOM 0 HA ILE A 115 10.346 -2.696 2.178 1.00 0.00 H new ATOM 0 HB ILE A 115 10.991 -1.018 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.908 -0.323 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.589 -0.077 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.588 -1.185 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.380 -2.778 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.376 -2.313 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.613 1.965 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.902 1.349 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.194 1.099 -0.237 1.00 0.00 H new ATOM 1705 N VAL A 116 12.347 -3.594 -0.291 1.00 0.00 N ATOM 1706 CA VAL A 116 12.722 -4.705 -1.157 1.00 0.00 C ATOM 1707 C VAL A 116 12.916 -5.986 -0.354 1.00 0.00 C ATOM 1708 O VAL A 116 12.485 -7.062 -0.769 1.00 0.00 O ATOM 1709 CB VAL A 116 14.017 -4.399 -1.933 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.578 -5.667 -2.557 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.762 -3.340 -2.996 1.00 0.00 C ATOM 0 H VAL A 116 12.971 -2.789 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 116 11.906 -4.843 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 116 14.756 -4.009 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.493 -5.431 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.799 -6.391 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.845 -6.089 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.687 -3.135 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.007 -3.700 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.409 -2.425 -2.521 1.00 0.00 H new ATOM 1721 N ASP A 117 13.565 -5.864 0.798 1.00 0.00 N ATOM 1722 CA ASP A 117 13.815 -7.012 1.662 1.00 0.00 C ATOM 1723 C ASP A 117 12.523 -7.488 2.319 1.00 0.00 C ATOM 1724 O ASP A 117 12.341 -8.681 2.560 1.00 0.00 O ATOM 1725 CB ASP A 117 14.847 -6.657 2.733 1.00 0.00 C ATOM 1726 CG ASP A 117 15.599 -7.873 3.238 1.00 0.00 C ATOM 1727 OD1 ASP A 117 15.013 -8.652 4.018 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.774 -8.046 2.851 1.00 0.00 O ATOM 0 H ASP A 117 13.928 -4.981 1.156 1.00 0.00 H new ATOM 0 HA ASP A 117 14.208 -7.821 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.557 -5.938 2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.346 -6.170 3.569 1.00 0.00 H new ATOM 1733 N ALA A 118 11.631 -6.547 2.608 1.00 0.00 N ATOM 1734 CA ALA A 118 10.356 -6.870 3.237 1.00 0.00 C ATOM 1735 C ALA A 118 9.469 -7.678 2.296 1.00 0.00 C ATOM 1736 O ALA A 118 8.934 -8.720 2.674 1.00 0.00 O ATOM 1737 CB ALA A 118 9.645 -5.598 3.674 1.00 0.00 C ATOM 0 H ALA A 118 11.767 -5.554 2.417 1.00 0.00 H new ATOM 0 HA ALA A 118 10.558 -7.480 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.695 -5.855 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.268 -5.060 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.462 -4.966 2.805 1.00 0.00 H new ATOM 1743 N ALA A 119 9.316 -7.189 1.070 1.00 0.00 N ATOM 1744 CA ALA A 119 8.494 -7.866 0.075 1.00 0.00 C ATOM 1745 C ALA A 119 8.980 -9.292 -0.160 1.00 0.00 C ATOM 1746 O ALA A 119 8.187 -10.235 -0.174 1.00 0.00 O ATOM 1747 CB ALA A 119 8.495 -7.085 -1.231 1.00 0.00 C ATOM 0 H ALA A 119 9.751 -6.326 0.742 1.00 0.00 H new ATOM 0 HA ALA A 119 7.474 -7.915 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.877 -7.602 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.094 -6.086 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.515 -7.006 -1.607 1.00 0.00 H new ATOM 1753 N LEU A 120 10.286 -9.444 -0.346 1.00 0.00 N ATOM 1754 CA LEU A 120 10.878 -10.757 -0.581 1.00 0.00 C ATOM 1755 C LEU A 120 10.589 -11.701 0.582 1.00 0.00 C ATOM 1756 O LEU A 120 10.046 -12.789 0.391 1.00 0.00 O ATOM 1757 CB LEU A 120 12.389 -10.628 -0.784 1.00 0.00 C ATOM 1758 CG LEU A 120 12.835 -9.832 -2.011 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.217 -9.237 -1.788 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.826 -10.714 -3.251 1.00 0.00 C ATOM 0 H LEU A 120 10.956 -8.675 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 120 10.430 -11.174 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.816 -10.160 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.813 -11.630 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 120 12.131 -9.015 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.518 -8.674 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.192 -8.572 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.933 -10.038 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.146 -10.131 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.508 -11.552 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.818 -11.092 -3.422 1.00 0.00 H new ATOM 1772 N SER A 121 10.953 -11.276 1.787 1.00 0.00 N ATOM 1773 CA SER A 121 10.734 -12.084 2.981 1.00 0.00 C ATOM 1774 C SER A 121 9.323 -12.663 2.994 1.00 0.00 C ATOM 1775 O SER A 121 9.123 -13.832 3.321 1.00 0.00 O ATOM 1776 CB SER A 121 10.965 -11.245 4.240 1.00 0.00 C ATOM 1777 OG SER A 121 11.427 -12.049 5.311 1.00 0.00 O ATOM 0 H SER A 121 11.401 -10.377 1.963 1.00 0.00 H new ATOM 0 HA SER A 121 11.446 -12.909 2.967 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.692 -10.461 4.030 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.037 -10.750 4.527 1.00 0.00 H new ATOM 0 HG SER A 121 11.569 -11.489 6.103 1.00 0.00 H new ATOM 1783 N ALA A 122 8.347 -11.835 2.636 1.00 0.00 N ATOM 1784 CA ALA A 122 6.954 -12.264 2.603 1.00 0.00 C ATOM 1785 C ALA A 122 6.694 -13.196 1.425 1.00 0.00 C ATOM 1786 O ALA A 122 6.047 -14.234 1.572 1.00 0.00 O ATOM 1787 CB ALA A 122 6.031 -11.056 2.537 1.00 0.00 C ATOM 0 H ALA A 122 8.495 -10.863 2.365 1.00 0.00 H new ATOM 0 HA ALA A 122 6.748 -12.815 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.994 -11.391 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.189 -10.429 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.248 -10.481 1.636 1.00 0.00 H new ATOM 1793 N LEU A 123 7.201 -12.820 0.256 1.00 0.00 N ATOM 1794 CA LEU A 123 7.023 -13.622 -0.949 1.00 0.00 C ATOM 1795 C LEU A 123 7.384 -15.082 -0.690 1.00 0.00 C ATOM 1796 O LEU A 123 6.556 -15.976 -0.860 1.00 0.00 O ATOM 1797 CB LEU A 123 7.881 -13.067 -2.087 1.00 0.00 C ATOM 1798 CG LEU A 123 7.460 -13.466 -3.502 1.00 0.00 C ATOM 1799 CD1 LEU A 123 7.699 -14.950 -3.732 1.00 0.00 C ATOM 1800 CD2 LEU A 123 5.998 -13.116 -3.741 1.00 0.00 C ATOM 0 H LEU A 123 7.739 -11.964 0.117 1.00 0.00 H new ATOM 0 HA LEU A 123 5.973 -13.572 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.876 -11.979 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.910 -13.391 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 123 8.068 -12.907 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 123 7.393 -15.215 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.758 -15.172 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 123 7.117 -15.528 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.715 -13.407 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.374 -13.648 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.856 -12.042 -3.619 1.00 0.00 H new ATOM 1812 N ARG A 124 8.626 -15.314 -0.275 1.00 0.00 N ATOM 1813 CA ARG A 124 9.096 -16.664 0.009 1.00 0.00 C ATOM 1814 C ARG A 124 8.178 -17.361 1.009 1.00 0.00 C ATOM 1815 O ARG A 124 7.839 -18.532 0.844 1.00 0.00 O ATOM 1816 CB ARG A 124 10.525 -16.625 0.553 1.00 0.00 C ATOM 1817 CG ARG A 124 10.730 -15.598 1.654 1.00 0.00 C ATOM 1818 CD ARG A 124 10.589 -16.223 3.033 1.00 0.00 C ATOM 1819 NE ARG A 124 11.423 -15.552 4.026 1.00 0.00 N ATOM 1820 CZ ARG A 124 11.425 -15.865 5.317 1.00 0.00 C ATOM 1821 NH1 ARG A 124 10.641 -16.835 5.769 1.00 0.00 N ATOM 1822 NH2 ARG A 124 12.212 -15.209 6.160 1.00 0.00 N ATOM 0 H ARG A 124 9.324 -14.585 -0.128 1.00 0.00 H new ATOM 0 HA ARG A 124 9.084 -17.229 -0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 124 10.786 -17.612 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 124 11.211 -16.409 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 124 11.719 -15.150 1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 124 10.003 -14.793 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 124 9.546 -16.179 3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 124 10.862 -17.277 2.983 1.00 0.00 H new ATOM 0 HE ARG A 124 12.038 -14.802 3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 124 10.035 -17.343 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 124 10.645 -17.073 6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 124 12.817 -14.463 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 124 12.212 -15.451 7.151 1.00 0.00 H new ATOM 1836 N SER A 125 7.781 -16.632 2.047 1.00 0.00 N ATOM 1837 CA SER A 125 6.906 -17.181 3.077 1.00 0.00 C ATOM 1838 C SER A 125 5.664 -17.811 2.454 1.00 0.00 C ATOM 1839 O SER A 125 5.275 -18.923 2.807 1.00 0.00 O ATOM 1840 CB SER A 125 6.497 -16.086 4.064 1.00 0.00 C ATOM 1841 OG SER A 125 5.544 -16.570 4.995 1.00 0.00 O ATOM 0 H SER A 125 8.051 -15.660 2.197 1.00 0.00 H new ATOM 0 HA SER A 125 7.455 -17.956 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 125 7.377 -15.723 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 125 6.081 -15.238 3.520 1.00 0.00 H new ATOM 0 HG SER A 125 5.300 -15.852 5.616 1.00 0.00 H new ATOM 1847 N GLY A 126 5.044 -17.089 1.525 1.00 0.00 N ATOM 1848 CA GLY A 126 3.852 -17.592 0.868 1.00 0.00 C ATOM 1849 C GLY A 126 2.725 -17.869 1.844 1.00 0.00 C ATOM 1850 O GLY A 126 2.902 -17.814 3.061 1.00 0.00 O ATOM 0 H GLY A 126 5.346 -16.165 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.516 -16.867 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.096 -18.508 0.330 1.00 0.00 H new ATOM 1854 N PRO A 127 1.534 -18.174 1.307 1.00 0.00 N ATOM 1855 CA PRO A 127 0.351 -18.466 2.121 1.00 0.00 C ATOM 1856 C PRO A 127 0.468 -19.795 2.860 1.00 0.00 C ATOM 1857 O PRO A 127 0.396 -20.863 2.251 1.00 0.00 O ATOM 1858 CB PRO A 127 -0.782 -18.524 1.093 1.00 0.00 C ATOM 1859 CG PRO A 127 -0.113 -18.889 -0.187 1.00 0.00 C ATOM 1860 CD PRO A 127 1.252 -18.258 -0.135 1.00 0.00 C ATOM 0 HA PRO A 127 0.200 -17.720 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -1.533 -19.263 1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.294 -17.565 1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -0.039 -19.971 -0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -0.680 -18.522 -1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 127 1.995 -18.863 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 127 1.258 -17.274 -0.604 1.00 0.00 H new ATOM 1868 N SER A 128 0.649 -19.722 4.175 1.00 0.00 N ATOM 1869 CA SER A 128 0.780 -20.920 4.996 1.00 0.00 C ATOM 1870 C SER A 128 -0.269 -21.959 4.611 1.00 0.00 C ATOM 1871 O SER A 128 0.064 -23.061 4.176 1.00 0.00 O ATOM 1872 CB SER A 128 0.644 -20.565 6.478 1.00 0.00 C ATOM 1873 OG SER A 128 1.837 -19.984 6.975 1.00 0.00 O ATOM 0 H SER A 128 0.708 -18.846 4.694 1.00 0.00 H new ATOM 0 HA SER A 128 1.768 -21.345 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 128 -0.186 -19.872 6.614 1.00 0.00 H new ATOM 0 HB3 SER A 128 0.407 -21.462 7.050 1.00 0.00 H new ATOM 0 HG SER A 128 1.724 -19.765 7.923 1.00 0.00 H new ATOM 1879 N SER A 129 -1.538 -21.599 4.776 1.00 0.00 N ATOM 1880 CA SER A 129 -2.636 -22.501 4.450 1.00 0.00 C ATOM 1881 C SER A 129 -3.978 -21.782 4.554 1.00 0.00 C ATOM 1882 O SER A 129 -4.133 -20.843 5.333 1.00 0.00 O ATOM 1883 CB SER A 129 -2.622 -23.714 5.382 1.00 0.00 C ATOM 1884 OG SER A 129 -3.627 -24.646 5.023 1.00 0.00 O ATOM 0 H SER A 129 -1.831 -20.690 5.133 1.00 0.00 H new ATOM 0 HA SER A 129 -2.502 -22.840 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 129 -1.645 -24.195 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 129 -2.775 -23.388 6.411 1.00 0.00 H new ATOM 0 HG SER A 129 -3.595 -25.412 5.633 1.00 0.00 H new ATOM 1890 N GLY A 130 -4.946 -22.231 3.760 1.00 0.00 N ATOM 1891 CA GLY A 130 -6.262 -21.620 3.777 1.00 0.00 C ATOM 1892 C GLY A 130 -7.350 -22.574 3.326 1.00 0.00 C ATOM 1893 O GLY A 130 -7.721 -22.594 2.153 1.00 0.00 O ATOM 0 H GLY A 130 -4.842 -23.007 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -6.484 -21.271 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -6.261 -20.743 3.129 1.00 0.00 H new TER 1897 GLY A 130