USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 45 HIS : no HD1:sc= 0 K(o=0.0022,f=-1.4) USER MOD Set 1.2: A 46 CYS SG : rot -109:sc= 0.00219 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0855 USER MOD Single : A 3 SER OG : rot 57:sc= 0.318 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.08 K(o=-0.08,f=-0.93) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.16) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.443 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -5.65! C(o=-5.6!,f=-6.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.25 K(o=-3.2,f=-7.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.6!) USER MOD Single : A 54 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.21) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.409 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.638 -23.745 20.166 1.00 0.00 N ATOM 2 CA GLY A 1 25.845 -24.444 19.172 1.00 0.00 C ATOM 3 C GLY A 1 26.645 -24.791 17.932 1.00 0.00 C ATOM 4 O GLY A 1 27.096 -23.905 17.207 1.00 0.00 O ATOM 0 H1 GLY A 1 26.046 -23.530 20.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.436 -24.344 20.457 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.000 -22.859 19.760 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.443 -25.358 19.609 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.993 -23.825 18.890 1.00 0.00 H new ATOM 8 N SER A 2 26.823 -26.086 17.689 1.00 0.00 N ATOM 9 CA SER A 2 27.579 -26.549 16.531 1.00 0.00 C ATOM 10 C SER A 2 26.675 -26.683 15.309 1.00 0.00 C ATOM 11 O SER A 2 27.020 -26.235 14.216 1.00 0.00 O ATOM 12 CB SER A 2 28.247 -27.891 16.835 1.00 0.00 C ATOM 13 OG SER A 2 27.280 -28.908 17.035 1.00 0.00 O ATOM 0 H SER A 2 26.454 -26.833 18.278 1.00 0.00 H new ATOM 0 HA SER A 2 28.349 -25.809 16.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.906 -28.168 16.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.870 -27.797 17.724 1.00 0.00 H new ATOM 0 HG SER A 2 27.732 -29.756 17.226 1.00 0.00 H new ATOM 19 N SER A 3 25.516 -27.302 15.505 1.00 0.00 N ATOM 20 CA SER A 3 24.562 -27.500 14.419 1.00 0.00 C ATOM 21 C SER A 3 23.477 -26.427 14.447 1.00 0.00 C ATOM 22 O SER A 3 22.380 -26.652 14.956 1.00 0.00 O ATOM 23 CB SER A 3 23.926 -28.887 14.517 1.00 0.00 C ATOM 24 OG SER A 3 23.389 -29.113 15.809 1.00 0.00 O ATOM 0 H SER A 3 25.214 -27.675 16.405 1.00 0.00 H new ATOM 0 HA SER A 3 25.102 -27.422 13.475 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.137 -28.982 13.771 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.672 -29.649 14.292 1.00 0.00 H new ATOM 0 HG SER A 3 22.742 -28.408 16.022 1.00 0.00 H new ATOM 30 N GLY A 4 23.794 -25.259 13.897 1.00 0.00 N ATOM 31 CA GLY A 4 22.837 -24.168 13.869 1.00 0.00 C ATOM 32 C GLY A 4 23.492 -22.830 13.590 1.00 0.00 C ATOM 33 O GLY A 4 24.661 -22.770 13.209 1.00 0.00 O ATOM 0 H GLY A 4 24.696 -25.049 13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.085 -24.367 13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.315 -24.122 14.825 1.00 0.00 H new ATOM 37 N SER A 5 22.736 -21.753 13.778 1.00 0.00 N ATOM 38 CA SER A 5 23.248 -20.408 13.538 1.00 0.00 C ATOM 39 C SER A 5 23.554 -19.701 14.855 1.00 0.00 C ATOM 40 O SER A 5 22.672 -19.104 15.472 1.00 0.00 O ATOM 41 CB SER A 5 22.238 -19.591 12.731 1.00 0.00 C ATOM 42 OG SER A 5 22.364 -19.852 11.344 1.00 0.00 O ATOM 0 H SER A 5 21.767 -21.785 14.096 1.00 0.00 H new ATOM 0 HA SER A 5 24.173 -20.494 12.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.227 -19.831 13.059 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.391 -18.528 12.920 1.00 0.00 H new ATOM 0 HG SER A 5 21.707 -19.319 10.850 1.00 0.00 H new ATOM 48 N SER A 6 24.812 -19.773 15.279 1.00 0.00 N ATOM 49 CA SER A 6 25.236 -19.144 16.524 1.00 0.00 C ATOM 50 C SER A 6 26.363 -18.146 16.273 1.00 0.00 C ATOM 51 O SER A 6 27.303 -18.429 15.532 1.00 0.00 O ATOM 52 CB SER A 6 25.693 -20.205 17.527 1.00 0.00 C ATOM 53 OG SER A 6 24.588 -20.769 18.212 1.00 0.00 O ATOM 0 H SER A 6 25.555 -20.261 14.778 1.00 0.00 H new ATOM 0 HA SER A 6 24.383 -18.606 16.938 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.241 -20.990 17.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.381 -19.759 18.245 1.00 0.00 H new ATOM 0 HG SER A 6 24.906 -21.445 18.846 1.00 0.00 H new ATOM 59 N GLY A 7 26.259 -16.976 16.897 1.00 0.00 N ATOM 60 CA GLY A 7 27.275 -15.954 16.728 1.00 0.00 C ATOM 61 C GLY A 7 27.411 -15.503 15.287 1.00 0.00 C ATOM 62 O GLY A 7 26.968 -16.192 14.370 1.00 0.00 O ATOM 0 H GLY A 7 25.490 -16.718 17.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.029 -15.095 17.352 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.234 -16.338 17.077 1.00 0.00 H new ATOM 66 N GLY A 8 28.025 -14.341 15.088 1.00 0.00 N ATOM 67 CA GLY A 8 28.205 -13.818 13.746 1.00 0.00 C ATOM 68 C GLY A 8 27.497 -12.493 13.540 1.00 0.00 C ATOM 69 O GLY A 8 26.311 -12.362 13.841 1.00 0.00 O ATOM 0 H GLY A 8 28.401 -13.753 15.832 1.00 0.00 H new ATOM 0 HA2 GLY A 8 29.269 -13.692 13.548 1.00 0.00 H new ATOM 0 HA3 GLY A 8 27.830 -14.543 13.024 1.00 0.00 H new ATOM 73 N TYR A 9 28.226 -11.508 13.027 1.00 0.00 N ATOM 74 CA TYR A 9 27.662 -10.186 12.786 1.00 0.00 C ATOM 75 C TYR A 9 28.141 -9.625 11.450 1.00 0.00 C ATOM 76 O TYR A 9 29.225 -9.949 10.965 1.00 0.00 O ATOM 77 CB TYR A 9 28.042 -9.231 13.919 1.00 0.00 C ATOM 78 CG TYR A 9 28.045 -9.881 15.284 1.00 0.00 C ATOM 79 CD1 TYR A 9 26.864 -10.050 15.996 1.00 0.00 C ATOM 80 CD2 TYR A 9 29.228 -10.326 15.861 1.00 0.00 C ATOM 81 CE1 TYR A 9 26.861 -10.643 17.244 1.00 0.00 C ATOM 82 CE2 TYR A 9 29.234 -10.922 17.107 1.00 0.00 C ATOM 83 CZ TYR A 9 28.049 -11.078 17.795 1.00 0.00 C ATOM 84 OH TYR A 9 28.051 -11.669 19.037 1.00 0.00 O ATOM 0 H TYR A 9 29.209 -11.601 12.770 1.00 0.00 H new ATOM 0 HA TYR A 9 26.577 -10.283 12.751 1.00 0.00 H new ATOM 0 HB2 TYR A 9 29.032 -8.820 13.720 1.00 0.00 H new ATOM 0 HB3 TYR A 9 27.344 -8.394 13.926 1.00 0.00 H new ATOM 0 HD1 TYR A 9 25.932 -9.712 15.567 1.00 0.00 H new ATOM 0 HD2 TYR A 9 30.158 -10.204 15.326 1.00 0.00 H new ATOM 0 HE1 TYR A 9 25.934 -10.765 17.785 1.00 0.00 H new ATOM 0 HE2 TYR A 9 30.162 -11.264 17.540 1.00 0.00 H new ATOM 0 HH TYR A 9 28.967 -11.919 19.279 1.00 0.00 H new ATOM 94 N PRO A 10 27.314 -8.762 10.842 1.00 0.00 N ATOM 95 CA PRO A 10 26.021 -8.369 11.410 1.00 0.00 C ATOM 96 C PRO A 10 25.008 -9.508 11.386 1.00 0.00 C ATOM 97 O PRO A 10 25.018 -10.342 10.482 1.00 0.00 O ATOM 98 CB PRO A 10 25.564 -7.228 10.498 1.00 0.00 C ATOM 99 CG PRO A 10 26.255 -7.480 9.202 1.00 0.00 C ATOM 100 CD PRO A 10 27.578 -8.103 9.551 1.00 0.00 C ATOM 0 HA PRO A 10 26.106 -8.086 12.459 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.481 -7.228 10.376 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.838 -6.257 10.911 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.666 -8.144 8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.395 -6.552 8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 10 27.898 -8.818 8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.365 -7.354 9.636 1.00 0.00 H new ATOM 108 N ASN A 11 24.133 -9.537 12.387 1.00 0.00 N ATOM 109 CA ASN A 11 23.112 -10.574 12.480 1.00 0.00 C ATOM 110 C ASN A 11 22.249 -10.603 11.223 1.00 0.00 C ATOM 111 O ASN A 11 22.085 -9.588 10.546 1.00 0.00 O ATOM 112 CB ASN A 11 22.233 -10.345 13.711 1.00 0.00 C ATOM 113 CG ASN A 11 22.822 -10.960 14.965 1.00 0.00 C ATOM 114 OD1 ASN A 11 23.389 -12.052 14.927 1.00 0.00 O ATOM 115 ND2 ASN A 11 22.691 -10.260 16.086 1.00 0.00 N ATOM 0 H ASN A 11 24.111 -8.854 13.145 1.00 0.00 H new ATOM 0 HA ASN A 11 23.615 -11.536 12.575 1.00 0.00 H new ATOM 0 HB2 ASN A 11 22.098 -9.274 13.864 1.00 0.00 H new ATOM 0 HB3 ASN A 11 21.245 -10.768 13.532 1.00 0.00 H new ATOM 0 HD21 ASN A 11 23.068 -10.624 16.961 1.00 0.00 H new ATOM 0 HD22 ASN A 11 22.213 -9.359 16.072 1.00 0.00 H new ATOM 122 N GLY A 12 21.698 -11.774 10.916 1.00 0.00 N ATOM 123 CA GLY A 12 20.858 -11.913 9.741 1.00 0.00 C ATOM 124 C GLY A 12 19.529 -11.199 9.890 1.00 0.00 C ATOM 125 O GLY A 12 18.535 -11.801 10.299 1.00 0.00 O ATOM 0 H GLY A 12 21.819 -12.628 11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 12 21.385 -11.516 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 12 20.679 -12.971 9.549 1.00 0.00 H new ATOM 129 N THR A 13 19.510 -9.912 9.560 1.00 0.00 N ATOM 130 CA THR A 13 18.294 -9.115 9.663 1.00 0.00 C ATOM 131 C THR A 13 17.814 -8.664 8.288 1.00 0.00 C ATOM 132 O THR A 13 18.619 -8.405 7.393 1.00 0.00 O ATOM 133 CB THR A 13 18.509 -7.875 10.551 1.00 0.00 C ATOM 134 OG1 THR A 13 18.946 -8.275 11.855 1.00 0.00 O ATOM 135 CG2 THR A 13 17.227 -7.064 10.668 1.00 0.00 C ATOM 0 H THR A 13 20.323 -9.399 9.219 1.00 0.00 H new ATOM 0 HA THR A 13 17.536 -9.752 10.118 1.00 0.00 H new ATOM 0 HB THR A 13 19.274 -7.252 10.087 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.082 -7.481 12.412 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.404 -6.193 11.300 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.913 -6.736 9.677 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.445 -7.681 11.111 1.00 0.00 H new ATOM 143 N SER A 14 16.498 -8.572 8.126 1.00 0.00 N ATOM 144 CA SER A 14 15.911 -8.155 6.858 1.00 0.00 C ATOM 145 C SER A 14 15.497 -6.687 6.908 1.00 0.00 C ATOM 146 O SER A 14 15.337 -6.112 7.984 1.00 0.00 O ATOM 147 CB SER A 14 14.700 -9.027 6.522 1.00 0.00 C ATOM 148 OG SER A 14 13.765 -9.035 7.587 1.00 0.00 O ATOM 0 H SER A 14 15.818 -8.781 8.857 1.00 0.00 H new ATOM 0 HA SER A 14 16.664 -8.276 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.221 -8.656 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 14 15.028 -10.046 6.314 1.00 0.00 H new ATOM 0 HG SER A 14 13.000 -9.598 7.346 1.00 0.00 H new ATOM 154 N ALA A 15 15.326 -6.087 5.734 1.00 0.00 N ATOM 155 CA ALA A 15 14.929 -4.688 5.642 1.00 0.00 C ATOM 156 C ALA A 15 13.686 -4.526 4.774 1.00 0.00 C ATOM 157 O ALA A 15 13.490 -5.265 3.810 1.00 0.00 O ATOM 158 CB ALA A 15 16.073 -3.850 5.091 1.00 0.00 C ATOM 0 H ALA A 15 15.456 -6.549 4.834 1.00 0.00 H new ATOM 0 HA ALA A 15 14.687 -4.338 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.762 -2.807 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.936 -3.932 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.342 -4.209 4.098 1.00 0.00 H new ATOM 164 N ALA A 16 12.849 -3.554 5.124 1.00 0.00 N ATOM 165 CA ALA A 16 11.625 -3.295 4.375 1.00 0.00 C ATOM 166 C ALA A 16 11.770 -2.055 3.499 1.00 0.00 C ATOM 167 O ALA A 16 12.183 -0.994 3.970 1.00 0.00 O ATOM 168 CB ALA A 16 10.448 -3.137 5.326 1.00 0.00 C ATOM 0 H ALA A 16 12.996 -2.934 5.920 1.00 0.00 H new ATOM 0 HA ALA A 16 11.439 -4.149 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.541 -2.944 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.323 -4.052 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.635 -2.302 6.001 1.00 0.00 H new ATOM 174 N LEU A 17 11.429 -2.195 2.223 1.00 0.00 N ATOM 175 CA LEU A 17 11.521 -1.086 1.280 1.00 0.00 C ATOM 176 C LEU A 17 10.135 -0.644 0.822 1.00 0.00 C ATOM 177 O LEU A 17 9.393 -1.420 0.220 1.00 0.00 O ATOM 178 CB LEU A 17 12.367 -1.488 0.070 1.00 0.00 C ATOM 179 CG LEU A 17 12.495 -0.441 -1.036 1.00 0.00 C ATOM 180 CD1 LEU A 17 11.383 -0.607 -2.060 1.00 0.00 C ATOM 181 CD2 LEU A 17 12.477 0.962 -0.448 1.00 0.00 C ATOM 0 H LEU A 17 11.086 -3.066 1.817 1.00 0.00 H new ATOM 0 HA LEU A 17 12.000 -0.249 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.368 -1.742 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.941 -2.393 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 17 13.450 -0.589 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.491 0.147 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.444 -1.600 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.417 -0.487 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.569 1.694 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.539 1.122 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.310 1.077 0.245 1.00 0.00 H new ATOM 193 N ARG A 18 9.794 0.609 1.109 1.00 0.00 N ATOM 194 CA ARG A 18 8.498 1.154 0.725 1.00 0.00 C ATOM 195 C ARG A 18 8.479 1.521 -0.756 1.00 0.00 C ATOM 196 O ARG A 18 9.293 2.320 -1.217 1.00 0.00 O ATOM 197 CB ARG A 18 8.169 2.386 1.570 1.00 0.00 C ATOM 198 CG ARG A 18 8.203 2.125 3.067 1.00 0.00 C ATOM 199 CD ARG A 18 7.074 1.201 3.497 1.00 0.00 C ATOM 200 NE ARG A 18 5.836 1.932 3.753 1.00 0.00 N ATOM 201 CZ ARG A 18 5.559 2.526 4.909 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.428 2.475 5.909 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.411 3.172 5.065 1.00 0.00 N ATOM 0 H ARG A 18 10.397 1.265 1.606 1.00 0.00 H new ATOM 0 HA ARG A 18 7.743 0.388 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.878 3.179 1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.179 2.750 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.161 1.682 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.126 3.070 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.901 0.455 2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.370 0.662 4.397 1.00 0.00 H new ATOM 0 HE ARG A 18 5.146 1.990 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.312 1.979 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.213 2.932 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.740 3.213 4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.199 3.628 5.952 1.00 0.00 H new ATOM 217 N GLU A 19 7.545 0.930 -1.495 1.00 0.00 N ATOM 218 CA GLU A 19 7.422 1.194 -2.924 1.00 0.00 C ATOM 219 C GLU A 19 6.348 2.244 -3.193 1.00 0.00 C ATOM 220 O GLU A 19 5.390 2.380 -2.430 1.00 0.00 O ATOM 221 CB GLU A 19 7.089 -0.096 -3.677 1.00 0.00 C ATOM 222 CG GLU A 19 7.995 -1.262 -3.316 1.00 0.00 C ATOM 223 CD GLU A 19 9.367 -1.153 -3.953 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.772 -0.025 -4.302 1.00 0.00 O ATOM 225 OE2 GLU A 19 10.035 -2.198 -4.103 1.00 0.00 O ATOM 0 H GLU A 19 6.863 0.266 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 19 8.378 1.578 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.055 -0.372 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.160 0.090 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.104 -1.311 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.525 -2.194 -3.631 1.00 0.00 H new ATOM 232 N THR A 20 6.514 2.987 -4.283 1.00 0.00 N ATOM 233 CA THR A 20 5.562 4.026 -4.652 1.00 0.00 C ATOM 234 C THR A 20 4.913 3.724 -5.998 1.00 0.00 C ATOM 235 O THR A 20 5.567 3.235 -6.918 1.00 0.00 O ATOM 236 CB THR A 20 6.237 5.409 -4.720 1.00 0.00 C ATOM 237 OG1 THR A 20 7.142 5.458 -5.829 1.00 0.00 O ATOM 238 CG2 THR A 20 6.989 5.708 -3.432 1.00 0.00 C ATOM 0 H THR A 20 7.300 2.888 -4.926 1.00 0.00 H new ATOM 0 HA THR A 20 4.796 4.042 -3.877 1.00 0.00 H new ATOM 0 HB THR A 20 5.460 6.162 -4.852 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.566 6.341 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.457 6.690 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.293 5.698 -2.594 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.757 4.950 -3.275 1.00 0.00 H new ATOM 246 N GLY A 21 3.621 4.018 -6.106 1.00 0.00 N ATOM 247 CA GLY A 21 2.905 3.771 -7.344 1.00 0.00 C ATOM 248 C GLY A 21 1.790 4.771 -7.579 1.00 0.00 C ATOM 249 O GLY A 21 1.955 5.965 -7.331 1.00 0.00 O ATOM 0 H GLY A 21 3.057 4.423 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.605 3.809 -8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.488 2.764 -7.324 1.00 0.00 H new ATOM 253 N VAL A 22 0.651 4.283 -8.061 1.00 0.00 N ATOM 254 CA VAL A 22 -0.496 5.142 -8.330 1.00 0.00 C ATOM 255 C VAL A 22 -1.805 4.376 -8.177 1.00 0.00 C ATOM 256 O VAL A 22 -1.912 3.221 -8.592 1.00 0.00 O ATOM 257 CB VAL A 22 -0.427 5.742 -9.746 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.755 4.686 -10.790 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.368 6.932 -9.867 1.00 0.00 C ATOM 0 H VAL A 22 0.498 3.297 -8.273 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.465 5.950 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 22 0.590 6.092 -9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.701 5.129 -11.785 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.038 3.868 -10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.761 4.303 -10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.306 7.344 -10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.390 6.609 -9.669 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.082 7.697 -9.144 1.00 0.00 H new ATOM 269 N ILE A 23 -2.798 5.025 -7.580 1.00 0.00 N ATOM 270 CA ILE A 23 -4.101 4.405 -7.374 1.00 0.00 C ATOM 271 C ILE A 23 -4.802 4.145 -8.703 1.00 0.00 C ATOM 272 O ILE A 23 -5.533 4.997 -9.206 1.00 0.00 O ATOM 273 CB ILE A 23 -5.008 5.281 -6.490 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.266 5.704 -5.220 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.287 4.535 -6.139 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.061 4.573 -4.236 1.00 0.00 C ATOM 0 H ILE A 23 -2.725 5.980 -7.230 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.923 3.456 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.275 6.178 -7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.295 6.115 -5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.824 6.503 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.917 5.168 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.822 4.280 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.039 3.622 -5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.529 4.945 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.029 4.176 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.477 3.782 -4.707 1.00 0.00 H new ATOM 288 N GLU A 24 -4.575 2.962 -9.264 1.00 0.00 N ATOM 289 CA GLU A 24 -5.186 2.590 -10.534 1.00 0.00 C ATOM 290 C GLU A 24 -6.706 2.530 -10.410 1.00 0.00 C ATOM 291 O GLU A 24 -7.430 3.113 -11.217 1.00 0.00 O ATOM 292 CB GLU A 24 -4.649 1.237 -11.008 1.00 0.00 C ATOM 293 CG GLU A 24 -4.773 1.024 -12.507 1.00 0.00 C ATOM 294 CD GLU A 24 -4.398 2.258 -13.304 1.00 0.00 C ATOM 295 OE1 GLU A 24 -3.256 2.739 -13.153 1.00 0.00 O ATOM 296 OE2 GLU A 24 -5.248 2.742 -14.081 1.00 0.00 O ATOM 0 H GLU A 24 -3.973 2.245 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.928 3.353 -11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.600 1.152 -10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.185 0.441 -10.491 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.133 0.194 -12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.797 0.739 -12.746 1.00 0.00 H new ATOM 303 N LYS A 25 -7.183 1.821 -9.393 1.00 0.00 N ATOM 304 CA LYS A 25 -8.616 1.685 -9.160 1.00 0.00 C ATOM 305 C LYS A 25 -8.930 1.706 -7.668 1.00 0.00 C ATOM 306 O LYS A 25 -8.079 1.379 -6.839 1.00 0.00 O ATOM 307 CB LYS A 25 -9.133 0.385 -9.782 1.00 0.00 C ATOM 308 CG LYS A 25 -10.539 0.498 -10.345 1.00 0.00 C ATOM 309 CD LYS A 25 -11.581 0.036 -9.340 1.00 0.00 C ATOM 310 CE LYS A 25 -12.986 0.114 -9.919 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.272 -1.024 -10.837 1.00 0.00 N ATOM 0 H LYS A 25 -6.598 1.331 -8.716 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.117 2.531 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.455 0.078 -10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.115 -0.401 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.737 1.532 -10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.618 -0.100 -11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.367 -0.989 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.521 0.652 -8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.714 0.117 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.105 1.054 -10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.239 -0.934 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.594 -1.013 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.184 -1.920 -10.317 1.00 0.00 H new ATOM 325 N LEU A 26 -10.155 2.093 -7.331 1.00 0.00 N ATOM 326 CA LEU A 26 -10.581 2.155 -5.937 1.00 0.00 C ATOM 327 C LEU A 26 -12.029 1.697 -5.789 1.00 0.00 C ATOM 328 O LEU A 26 -12.883 2.026 -6.614 1.00 0.00 O ATOM 329 CB LEU A 26 -10.428 3.579 -5.400 1.00 0.00 C ATOM 330 CG LEU A 26 -10.285 3.713 -3.883 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.819 3.674 -3.480 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.940 4.997 -3.397 1.00 0.00 C ATOM 0 H LEU A 26 -10.871 2.369 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.946 1.484 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.553 4.030 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.294 4.160 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.792 2.870 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.737 3.771 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.380 2.727 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.288 4.496 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.829 5.076 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.462 5.853 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.000 4.984 -3.653 1.00 0.00 H new ATOM 344 N LEU A 27 -12.299 0.938 -4.733 1.00 0.00 N ATOM 345 CA LEU A 27 -13.644 0.436 -4.475 1.00 0.00 C ATOM 346 C LEU A 27 -14.096 0.791 -3.062 1.00 0.00 C ATOM 347 O LEU A 27 -13.403 1.507 -2.338 1.00 0.00 O ATOM 348 CB LEU A 27 -13.690 -1.080 -4.671 1.00 0.00 C ATOM 349 CG LEU A 27 -13.351 -1.586 -6.074 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.863 -1.874 -6.193 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.166 -2.828 -6.404 1.00 0.00 C ATOM 0 H LEU A 27 -11.604 0.657 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.324 0.909 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.999 -1.539 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.689 -1.430 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.607 -0.807 -6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.641 -2.233 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.299 -0.961 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.580 -2.635 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.912 -3.174 -7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.942 -3.613 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.228 -2.588 -6.362 1.00 0.00 H new ATOM 363 N THR A 28 -15.262 0.284 -2.674 1.00 0.00 N ATOM 364 CA THR A 28 -15.807 0.547 -1.348 1.00 0.00 C ATOM 365 C THR A 28 -15.209 -0.397 -0.312 1.00 0.00 C ATOM 366 O THR A 28 -15.353 -0.185 0.892 1.00 0.00 O ATOM 367 CB THR A 28 -17.340 0.404 -1.332 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.937 1.437 -2.123 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.875 0.473 0.090 1.00 0.00 C ATOM 0 H THR A 28 -15.847 -0.311 -3.260 1.00 0.00 H new ATOM 0 HA THR A 28 -15.543 1.574 -1.096 1.00 0.00 H new ATOM 0 HB THR A 28 -17.596 -0.568 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.912 1.338 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.960 0.370 0.076 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.441 -0.333 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.608 1.432 0.533 1.00 0.00 H new ATOM 377 N SER A 29 -14.536 -1.441 -0.787 1.00 0.00 N ATOM 378 CA SER A 29 -13.918 -2.420 0.100 1.00 0.00 C ATOM 379 C SER A 29 -12.396 -2.334 0.028 1.00 0.00 C ATOM 380 O SER A 29 -11.710 -2.412 1.047 1.00 0.00 O ATOM 381 CB SER A 29 -14.378 -3.832 -0.265 1.00 0.00 C ATOM 382 OG SER A 29 -15.713 -4.058 0.154 1.00 0.00 O ATOM 0 H SER A 29 -14.405 -1.630 -1.781 1.00 0.00 H new ATOM 0 HA SER A 29 -14.229 -2.197 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.303 -3.975 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.719 -4.564 0.201 1.00 0.00 H new ATOM 0 HG SER A 29 -15.984 -4.967 -0.093 1.00 0.00 H new ATOM 388 N TYR A 30 -11.876 -2.172 -1.184 1.00 0.00 N ATOM 389 CA TYR A 30 -10.436 -2.078 -1.391 1.00 0.00 C ATOM 390 C TYR A 30 -10.119 -1.318 -2.676 1.00 0.00 C ATOM 391 O TYR A 30 -11.014 -0.797 -3.340 1.00 0.00 O ATOM 392 CB TYR A 30 -9.815 -3.475 -1.445 1.00 0.00 C ATOM 393 CG TYR A 30 -10.645 -4.477 -2.215 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.232 -4.137 -3.428 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.843 -5.764 -1.729 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.991 -5.049 -4.134 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.600 -6.683 -2.430 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.172 -6.321 -3.632 1.00 0.00 C ATOM 399 OH TYR A 30 -12.928 -7.233 -4.332 1.00 0.00 O ATOM 0 H TYR A 30 -12.430 -2.103 -2.037 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.009 -1.530 -0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.827 -3.407 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.672 -3.840 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.092 -3.142 -3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.398 -6.050 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.441 -4.768 -5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.743 -7.679 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.955 -8.081 -3.841 1.00 0.00 H new ATOM 409 N GLY A 31 -8.836 -1.260 -3.020 1.00 0.00 N ATOM 410 CA GLY A 31 -8.422 -0.563 -4.224 1.00 0.00 C ATOM 411 C GLY A 31 -7.130 -1.112 -4.795 1.00 0.00 C ATOM 412 O GLY A 31 -6.365 -1.776 -4.095 1.00 0.00 O ATOM 0 H GLY A 31 -8.076 -1.683 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.209 -0.640 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.296 0.497 -4.002 1.00 0.00 H new ATOM 416 N PHE A 32 -6.885 -0.835 -6.072 1.00 0.00 N ATOM 417 CA PHE A 32 -5.677 -1.307 -6.739 1.00 0.00 C ATOM 418 C PHE A 32 -4.676 -0.170 -6.921 1.00 0.00 C ATOM 419 O PHE A 32 -5.053 1.001 -6.967 1.00 0.00 O ATOM 420 CB PHE A 32 -6.025 -1.919 -8.098 1.00 0.00 C ATOM 421 CG PHE A 32 -6.931 -3.113 -8.003 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.298 -2.951 -7.845 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.417 -4.397 -8.073 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.134 -4.048 -7.757 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.248 -5.498 -7.986 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.609 -5.323 -7.829 1.00 0.00 C ATOM 0 H PHE A 32 -7.507 -0.286 -6.665 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.220 -2.072 -6.111 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.501 -1.160 -8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.104 -2.211 -8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.715 -1.956 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.354 -4.540 -8.197 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.198 -3.908 -7.632 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.834 -6.494 -8.041 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.261 -6.181 -7.763 1.00 0.00 H new ATOM 436 N ILE A 33 -3.400 -0.525 -7.025 1.00 0.00 N ATOM 437 CA ILE A 33 -2.345 0.465 -7.203 1.00 0.00 C ATOM 438 C ILE A 33 -1.377 0.046 -8.304 1.00 0.00 C ATOM 439 O ILE A 33 -0.690 -0.968 -8.186 1.00 0.00 O ATOM 440 CB ILE A 33 -1.555 0.687 -5.899 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.483 1.204 -4.797 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.409 1.660 -6.133 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.001 0.881 -3.400 1.00 0.00 C ATOM 0 H ILE A 33 -3.072 -1.490 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.833 1.397 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.136 -0.267 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.585 2.285 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.475 0.776 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.140 1.807 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.263 1.256 -6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.807 2.616 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.707 1.278 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.926 -0.200 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.022 1.332 -3.239 1.00 0.00 H new ATOM 455 N GLN A 34 -1.329 0.833 -9.374 1.00 0.00 N ATOM 456 CA GLN A 34 -0.444 0.543 -10.496 1.00 0.00 C ATOM 457 C GLN A 34 0.970 1.041 -10.217 1.00 0.00 C ATOM 458 O GLN A 34 1.303 2.191 -10.507 1.00 0.00 O ATOM 459 CB GLN A 34 -0.981 1.188 -11.775 1.00 0.00 C ATOM 460 CG GLN A 34 -0.022 1.097 -12.951 1.00 0.00 C ATOM 461 CD GLN A 34 -0.288 -0.109 -13.830 1.00 0.00 C ATOM 462 OE1 GLN A 34 -1.113 -0.057 -14.743 1.00 0.00 O ATOM 463 NE2 GLN A 34 0.410 -1.206 -13.558 1.00 0.00 N ATOM 0 H GLN A 34 -1.892 1.676 -9.488 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.409 -0.538 -10.629 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.922 0.709 -12.046 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.202 2.237 -11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.102 2.004 -13.551 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.001 1.051 -12.578 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.084 -1.205 -12.792 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.272 -2.049 -14.115 1.00 0.00 H new ATOM 472 N CYS A 35 1.798 0.168 -9.653 1.00 0.00 N ATOM 473 CA CYS A 35 3.177 0.520 -9.333 1.00 0.00 C ATOM 474 C CYS A 35 3.785 1.389 -10.429 1.00 0.00 C ATOM 475 O CYS A 35 3.477 1.222 -11.610 1.00 0.00 O ATOM 476 CB CYS A 35 4.016 -0.745 -9.144 1.00 0.00 C ATOM 477 SG CYS A 35 3.916 -1.455 -7.484 1.00 0.00 S ATOM 0 H CYS A 35 1.539 -0.788 -9.408 1.00 0.00 H new ATOM 0 HA CYS A 35 3.175 1.089 -8.403 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.694 -1.494 -9.868 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.058 -0.514 -9.367 1.00 0.00 H new ATOM 0 HG CYS A 35 4.657 -2.522 -7.423 1.00 0.00 H new ATOM 483 N SER A 36 4.648 2.318 -10.031 1.00 0.00 N ATOM 484 CA SER A 36 5.295 3.217 -10.979 1.00 0.00 C ATOM 485 C SER A 36 6.724 2.768 -11.265 1.00 0.00 C ATOM 486 O SER A 36 7.388 3.303 -12.152 1.00 0.00 O ATOM 487 CB SER A 36 5.297 4.648 -10.437 1.00 0.00 C ATOM 488 OG SER A 36 3.987 5.189 -10.422 1.00 0.00 O ATOM 0 H SER A 36 4.915 2.468 -9.058 1.00 0.00 H new ATOM 0 HA SER A 36 4.731 3.190 -11.911 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.709 4.658 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.945 5.272 -11.052 1.00 0.00 H new ATOM 0 HG SER A 36 4.015 6.103 -10.070 1.00 0.00 H new ATOM 494 N GLU A 37 7.191 1.781 -10.505 1.00 0.00 N ATOM 495 CA GLU A 37 8.542 1.260 -10.677 1.00 0.00 C ATOM 496 C GLU A 37 8.519 -0.092 -11.383 1.00 0.00 C ATOM 497 O GLU A 37 9.356 -0.371 -12.241 1.00 0.00 O ATOM 498 CB GLU A 37 9.238 1.128 -9.320 1.00 0.00 C ATOM 499 CG GLU A 37 9.137 2.376 -8.460 1.00 0.00 C ATOM 500 CD GLU A 37 10.321 2.539 -7.527 1.00 0.00 C ATOM 501 OE1 GLU A 37 10.702 1.546 -6.872 1.00 0.00 O ATOM 502 OE2 GLU A 37 10.867 3.659 -7.452 1.00 0.00 O ATOM 0 H GLU A 37 6.654 1.327 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 37 9.099 1.963 -11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.803 0.288 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.290 0.893 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.064 3.252 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.220 2.335 -7.873 1.00 0.00 H new ATOM 509 N ARG A 38 7.554 -0.929 -11.014 1.00 0.00 N ATOM 510 CA ARG A 38 7.421 -2.253 -11.610 1.00 0.00 C ATOM 511 C ARG A 38 6.255 -2.292 -12.593 1.00 0.00 C ATOM 512 O ARG A 38 5.901 -3.352 -13.108 1.00 0.00 O ATOM 513 CB ARG A 38 7.221 -3.308 -10.521 1.00 0.00 C ATOM 514 CG ARG A 38 5.799 -3.369 -9.987 1.00 0.00 C ATOM 515 CD ARG A 38 5.569 -4.624 -9.159 1.00 0.00 C ATOM 516 NE ARG A 38 5.605 -5.834 -9.977 1.00 0.00 N ATOM 517 CZ ARG A 38 5.652 -7.061 -9.473 1.00 0.00 C ATOM 518 NH1 ARG A 38 5.668 -7.241 -8.159 1.00 0.00 N ATOM 519 NH2 ARG A 38 5.683 -8.112 -10.282 1.00 0.00 N ATOM 0 H ARG A 38 6.853 -0.713 -10.305 1.00 0.00 H new ATOM 0 HA ARG A 38 8.339 -2.473 -12.154 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.493 -4.285 -10.919 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.902 -3.100 -9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.600 -2.488 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.095 -3.347 -10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.330 -4.690 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.604 -4.555 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 38 5.593 -5.730 -10.992 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.644 -6.436 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.704 -8.185 -7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.671 -7.978 -11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.719 -9.054 -9.893 1.00 0.00 H new ATOM 533 N GLN A 39 5.661 -1.130 -12.846 1.00 0.00 N ATOM 534 CA GLN A 39 4.534 -1.033 -13.765 1.00 0.00 C ATOM 535 C GLN A 39 3.626 -2.253 -13.645 1.00 0.00 C ATOM 536 O GLN A 39 3.266 -2.872 -14.645 1.00 0.00 O ATOM 537 CB GLN A 39 5.033 -0.894 -15.205 1.00 0.00 C ATOM 538 CG GLN A 39 6.319 -1.657 -15.479 1.00 0.00 C ATOM 539 CD GLN A 39 6.092 -3.147 -15.638 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.066 -3.577 -16.167 1.00 0.00 O ATOM 541 NE2 GLN A 39 7.050 -3.945 -15.182 1.00 0.00 N ATOM 0 H GLN A 39 5.942 -0.243 -12.427 1.00 0.00 H new ATOM 0 HA GLN A 39 3.958 -0.147 -13.500 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.258 -1.248 -15.885 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.192 0.162 -15.425 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.783 -1.266 -16.384 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.020 -1.485 -14.662 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.884 -3.546 -14.751 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.952 -4.957 -15.263 1.00 0.00 H new ATOM 550 N ALA A 40 3.261 -2.593 -12.413 1.00 0.00 N ATOM 551 CA ALA A 40 2.395 -3.738 -12.162 1.00 0.00 C ATOM 552 C ALA A 40 1.164 -3.329 -11.360 1.00 0.00 C ATOM 553 O ALA A 40 1.265 -2.579 -10.389 1.00 0.00 O ATOM 554 CB ALA A 40 3.162 -4.832 -11.433 1.00 0.00 C ATOM 0 H ALA A 40 3.552 -2.092 -11.574 1.00 0.00 H new ATOM 0 HA ALA A 40 2.059 -4.125 -13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.502 -5.681 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.007 -5.152 -12.043 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.527 -4.448 -10.481 1.00 0.00 H new ATOM 560 N ARG A 41 0.003 -3.827 -11.772 1.00 0.00 N ATOM 561 CA ARG A 41 -1.248 -3.512 -11.093 1.00 0.00 C ATOM 562 C ARG A 41 -1.348 -4.257 -9.764 1.00 0.00 C ATOM 563 O ARG A 41 -1.750 -5.420 -9.722 1.00 0.00 O ATOM 564 CB ARG A 41 -2.440 -3.870 -11.981 1.00 0.00 C ATOM 565 CG ARG A 41 -2.889 -2.734 -12.886 1.00 0.00 C ATOM 566 CD ARG A 41 -3.491 -3.257 -14.181 1.00 0.00 C ATOM 567 NE ARG A 41 -4.350 -2.266 -14.824 1.00 0.00 N ATOM 568 CZ ARG A 41 -5.605 -2.032 -14.457 1.00 0.00 C ATOM 569 NH1 ARG A 41 -6.144 -2.713 -13.455 1.00 0.00 N ATOM 570 NH2 ARG A 41 -6.322 -1.114 -15.092 1.00 0.00 N ATOM 0 H ARG A 41 -0.097 -4.450 -12.573 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.263 -2.441 -10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.178 -4.731 -12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.275 -4.172 -11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.623 -2.120 -12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.039 -2.090 -13.113 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.691 -3.541 -14.864 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.069 -4.158 -13.975 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.965 -1.724 -15.597 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.595 -3.418 -12.964 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.108 -2.531 -13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.910 -0.588 -15.862 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.286 -0.935 -14.810 1.00 0.00 H new ATOM 584 N LEU A 42 -0.980 -3.579 -8.683 1.00 0.00 N ATOM 585 CA LEU A 42 -1.027 -4.176 -7.353 1.00 0.00 C ATOM 586 C LEU A 42 -2.430 -4.079 -6.762 1.00 0.00 C ATOM 587 O LEU A 42 -3.298 -3.396 -7.306 1.00 0.00 O ATOM 588 CB LEU A 42 -0.023 -3.488 -6.427 1.00 0.00 C ATOM 589 CG LEU A 42 1.377 -4.102 -6.379 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.177 -3.520 -5.225 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.290 -5.617 -6.260 1.00 0.00 C ATOM 0 H LEU A 42 -0.646 -2.615 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.763 -5.230 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.069 -2.446 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.432 -3.487 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 42 1.892 -3.859 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.170 -3.969 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.269 -2.441 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.667 -3.731 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.295 -6.038 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.756 -5.880 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.756 -6.020 -7.121 1.00 0.00 H new ATOM 603 N PHE A 43 -2.645 -4.766 -5.645 1.00 0.00 N ATOM 604 CA PHE A 43 -3.942 -4.756 -4.979 1.00 0.00 C ATOM 605 C PHE A 43 -3.793 -4.401 -3.502 1.00 0.00 C ATOM 606 O PHE A 43 -3.246 -5.176 -2.718 1.00 0.00 O ATOM 607 CB PHE A 43 -4.623 -6.119 -5.121 1.00 0.00 C ATOM 608 CG PHE A 43 -5.495 -6.478 -3.953 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.398 -5.562 -3.438 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.412 -7.732 -3.369 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.201 -5.891 -2.362 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.213 -8.066 -2.293 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.109 -7.144 -1.790 1.00 0.00 C ATOM 0 H PHE A 43 -1.938 -5.337 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.561 -3.997 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.226 -6.122 -6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.859 -6.887 -5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.475 -4.581 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.713 -8.457 -3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.900 -5.168 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.138 -9.047 -1.847 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.737 -7.403 -0.950 1.00 0.00 H new ATOM 623 N PHE A 44 -4.284 -3.223 -3.131 1.00 0.00 N ATOM 624 CA PHE A 44 -4.204 -2.764 -1.749 1.00 0.00 C ATOM 625 C PHE A 44 -5.573 -2.819 -1.078 1.00 0.00 C ATOM 626 O PHE A 44 -6.593 -2.514 -1.696 1.00 0.00 O ATOM 627 CB PHE A 44 -3.654 -1.337 -1.695 1.00 0.00 C ATOM 628 CG PHE A 44 -4.723 -0.281 -1.719 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.220 0.192 -2.923 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.230 0.238 -0.539 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.204 1.162 -2.949 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.213 1.209 -0.559 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.700 1.672 -1.766 1.00 0.00 C ATOM 0 H PHE A 44 -4.741 -2.570 -3.767 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.528 -3.428 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.059 -1.220 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.983 -1.183 -2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.834 -0.202 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.853 -0.120 0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.585 1.521 -3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.600 1.605 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.467 2.432 -1.784 1.00 0.00 H new ATOM 643 N HIS A 45 -5.587 -3.212 0.192 1.00 0.00 N ATOM 644 CA HIS A 45 -6.831 -3.308 0.949 1.00 0.00 C ATOM 645 C HIS A 45 -7.086 -2.028 1.739 1.00 0.00 C ATOM 646 O HIS A 45 -6.157 -1.421 2.274 1.00 0.00 O ATOM 647 CB HIS A 45 -6.784 -4.506 1.898 1.00 0.00 C ATOM 648 CG HIS A 45 -8.099 -5.208 2.042 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.282 -4.545 2.291 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.413 -6.522 1.969 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.267 -5.422 2.366 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.767 -6.629 2.175 1.00 0.00 N ATOM 0 H HIS A 45 -4.752 -3.469 0.718 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.648 -3.446 0.241 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.040 -5.216 1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.452 -4.168 2.880 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.727 -7.335 1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.305 -5.191 2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.299 -7.499 2.180 1.00 0.00 H new ATOM 661 N CYS A 46 -8.350 -1.623 1.807 1.00 0.00 N ATOM 662 CA CYS A 46 -8.727 -0.414 2.530 1.00 0.00 C ATOM 663 C CYS A 46 -8.204 -0.452 3.963 1.00 0.00 C ATOM 664 O CYS A 46 -8.170 0.570 4.649 1.00 0.00 O ATOM 665 CB CYS A 46 -10.248 -0.251 2.534 1.00 0.00 C ATOM 666 SG CYS A 46 -11.102 -1.323 3.713 1.00 0.00 S ATOM 0 H CYS A 46 -9.130 -2.114 1.370 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.278 0.439 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.491 0.787 2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.627 -0.455 1.533 1.00 0.00 H new ATOM 0 HG CYS A 46 -11.753 -2.245 3.068 1.00 0.00 H new ATOM 672 N SER A 47 -7.798 -1.636 4.408 1.00 0.00 N ATOM 673 CA SER A 47 -7.282 -1.809 5.761 1.00 0.00 C ATOM 674 C SER A 47 -5.813 -1.404 5.837 1.00 0.00 C ATOM 675 O SER A 47 -5.334 -0.964 6.882 1.00 0.00 O ATOM 676 CB SER A 47 -7.446 -3.262 6.211 1.00 0.00 C ATOM 677 OG SER A 47 -6.789 -3.490 7.445 1.00 0.00 O ATOM 0 H SER A 47 -7.816 -2.491 3.851 1.00 0.00 H new ATOM 0 HA SER A 47 -7.855 -1.164 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.506 -3.498 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.041 -3.930 5.451 1.00 0.00 H new ATOM 0 HG SER A 47 -6.910 -4.425 7.712 1.00 0.00 H new ATOM 683 N GLN A 48 -5.105 -1.556 4.723 1.00 0.00 N ATOM 684 CA GLN A 48 -3.690 -1.207 4.663 1.00 0.00 C ATOM 685 C GLN A 48 -3.489 0.289 4.880 1.00 0.00 C ATOM 686 O GLN A 48 -2.683 0.702 5.714 1.00 0.00 O ATOM 687 CB GLN A 48 -3.097 -1.624 3.316 1.00 0.00 C ATOM 688 CG GLN A 48 -3.394 -3.067 2.941 1.00 0.00 C ATOM 689 CD GLN A 48 -2.881 -4.055 3.970 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.960 -3.755 4.730 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.475 -5.242 3.998 1.00 0.00 N ATOM 0 H GLN A 48 -5.487 -1.918 3.850 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.175 -1.743 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.487 -0.968 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.017 -1.479 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.470 -3.194 2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.942 -3.288 1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.235 -5.448 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.172 -5.948 4.668 1.00 0.00 H new ATOM 700 N TYR A 49 -4.226 1.095 4.124 1.00 0.00 N ATOM 701 CA TYR A 49 -4.126 2.546 4.232 1.00 0.00 C ATOM 702 C TYR A 49 -4.329 3.001 5.674 1.00 0.00 C ATOM 703 O TYR A 49 -5.352 2.706 6.291 1.00 0.00 O ATOM 704 CB TYR A 49 -5.157 3.218 3.323 1.00 0.00 C ATOM 705 CG TYR A 49 -5.003 4.720 3.240 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.759 5.299 3.024 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.102 5.559 3.375 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.614 6.671 2.948 1.00 0.00 C ATOM 709 CE2 TYR A 49 -5.967 6.932 3.299 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.720 7.483 3.085 1.00 0.00 C ATOM 711 OH TYR A 49 -4.580 8.849 3.008 1.00 0.00 O ATOM 0 H TYR A 49 -4.899 0.769 3.430 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.125 2.840 3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.075 2.797 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.157 2.983 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.891 4.666 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.079 5.130 3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.639 7.105 2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.832 7.570 3.406 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.455 9.275 3.124 1.00 0.00 H new ATOM 721 N ASN A 50 -3.347 3.721 6.205 1.00 0.00 N ATOM 722 CA ASN A 50 -3.416 4.218 7.574 1.00 0.00 C ATOM 723 C ASN A 50 -4.349 5.421 7.670 1.00 0.00 C ATOM 724 O ASN A 50 -5.050 5.599 8.665 1.00 0.00 O ATOM 725 CB ASN A 50 -2.021 4.599 8.072 1.00 0.00 C ATOM 726 CG ASN A 50 -2.068 5.545 9.256 1.00 0.00 C ATOM 727 OD1 ASN A 50 -2.578 5.199 10.322 1.00 0.00 O ATOM 728 ND2 ASN A 50 -1.536 6.748 9.074 1.00 0.00 N ATOM 0 H ASN A 50 -2.493 3.974 5.708 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.813 3.422 8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.479 3.696 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.463 5.065 7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.540 7.428 9.835 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.124 6.992 8.174 1.00 0.00 H new ATOM 735 N GLY A 51 -4.353 6.244 6.626 1.00 0.00 N ATOM 736 CA GLY A 51 -5.204 7.420 6.612 1.00 0.00 C ATOM 737 C GLY A 51 -6.673 7.071 6.478 1.00 0.00 C ATOM 738 O GLY A 51 -7.159 6.145 7.126 1.00 0.00 O ATOM 0 H GLY A 51 -3.783 6.118 5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.051 7.987 7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.911 8.067 5.785 1.00 0.00 H new ATOM 742 N ASN A 52 -7.383 7.815 5.636 1.00 0.00 N ATOM 743 CA ASN A 52 -8.806 7.581 5.421 1.00 0.00 C ATOM 744 C ASN A 52 -9.124 7.494 3.931 1.00 0.00 C ATOM 745 O ASN A 52 -9.057 8.492 3.212 1.00 0.00 O ATOM 746 CB ASN A 52 -9.631 8.696 6.066 1.00 0.00 C ATOM 747 CG ASN A 52 -11.085 8.307 6.251 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.991 9.062 5.896 1.00 0.00 O ATOM 749 ND2 ASN A 52 -11.315 7.124 6.808 1.00 0.00 N ATOM 0 H ASN A 52 -6.996 8.585 5.091 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.067 6.630 5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.200 8.950 7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.573 9.591 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.273 6.808 6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.533 6.531 7.087 1.00 0.00 H new ATOM 756 N LEU A 53 -9.472 6.296 3.475 1.00 0.00 N ATOM 757 CA LEU A 53 -9.803 6.079 2.071 1.00 0.00 C ATOM 758 C LEU A 53 -10.496 7.302 1.479 1.00 0.00 C ATOM 759 O LEU A 53 -10.146 7.759 0.391 1.00 0.00 O ATOM 760 CB LEU A 53 -10.699 4.848 1.922 1.00 0.00 C ATOM 761 CG LEU A 53 -9.982 3.521 1.673 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.534 3.421 0.223 1.00 0.00 C ATOM 763 CD2 LEU A 53 -8.793 3.373 2.611 1.00 0.00 C ATOM 0 H LEU A 53 -9.532 5.460 4.057 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.874 5.912 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.300 4.749 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.390 5.024 1.098 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.681 2.709 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.026 2.470 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.404 3.481 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.851 4.240 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.295 2.423 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.092 4.191 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.139 3.399 3.644 1.00 0.00 H new ATOM 775 N GLN A 54 -11.478 7.828 2.203 1.00 0.00 N ATOM 776 CA GLN A 54 -12.219 8.999 1.749 1.00 0.00 C ATOM 777 C GLN A 54 -11.281 10.031 1.132 1.00 0.00 C ATOM 778 O GLN A 54 -11.528 10.532 0.035 1.00 0.00 O ATOM 779 CB GLN A 54 -12.989 9.624 2.914 1.00 0.00 C ATOM 780 CG GLN A 54 -14.301 8.920 3.223 1.00 0.00 C ATOM 781 CD GLN A 54 -15.328 9.090 2.121 1.00 0.00 C ATOM 782 OE1 GLN A 54 -15.604 10.206 1.681 1.00 0.00 O ATOM 783 NE2 GLN A 54 -15.900 7.980 1.669 1.00 0.00 N ATOM 0 H GLN A 54 -11.779 7.462 3.106 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.927 8.677 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.360 9.609 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.193 10.670 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.111 7.858 3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.707 9.310 4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.641 7.076 2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.599 8.032 0.928 1.00 0.00 H new ATOM 792 N ASP A 55 -10.204 10.344 1.844 1.00 0.00 N ATOM 793 CA ASP A 55 -9.228 11.317 1.366 1.00 0.00 C ATOM 794 C ASP A 55 -8.530 10.812 0.107 1.00 0.00 C ATOM 795 O ASP A 55 -8.205 11.591 -0.790 1.00 0.00 O ATOM 796 CB ASP A 55 -8.194 11.610 2.454 1.00 0.00 C ATOM 797 CG ASP A 55 -8.755 12.469 3.570 1.00 0.00 C ATOM 798 OD1 ASP A 55 -9.470 11.923 4.436 1.00 0.00 O ATOM 799 OD2 ASP A 55 -8.480 13.687 3.577 1.00 0.00 O ATOM 0 H ASP A 55 -9.985 9.938 2.754 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.758 12.238 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.832 10.670 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.335 12.113 2.009 1.00 0.00 H new ATOM 804 N LEU A 56 -8.302 9.505 0.046 1.00 0.00 N ATOM 805 CA LEU A 56 -7.642 8.896 -1.103 1.00 0.00 C ATOM 806 C LEU A 56 -8.541 8.942 -2.335 1.00 0.00 C ATOM 807 O LEU A 56 -9.752 9.134 -2.226 1.00 0.00 O ATOM 808 CB LEU A 56 -7.262 7.448 -0.789 1.00 0.00 C ATOM 809 CG LEU A 56 -6.045 6.897 -1.534 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.845 7.811 -1.346 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.724 5.487 -1.061 1.00 0.00 C ATOM 0 H LEU A 56 -8.565 8.846 0.779 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.737 9.465 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.075 7.366 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.118 6.812 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.281 6.857 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.989 7.403 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.078 8.802 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.606 7.884 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.856 5.111 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.508 5.502 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.578 4.837 -1.249 1.00 0.00 H new ATOM 823 N LYS A 57 -7.940 8.762 -3.506 1.00 0.00 N ATOM 824 CA LYS A 57 -8.685 8.779 -4.759 1.00 0.00 C ATOM 825 C LYS A 57 -7.874 8.141 -5.883 1.00 0.00 C ATOM 826 O LYS A 57 -6.658 7.982 -5.772 1.00 0.00 O ATOM 827 CB LYS A 57 -9.056 10.215 -5.136 1.00 0.00 C ATOM 828 CG LYS A 57 -7.899 11.193 -5.019 1.00 0.00 C ATOM 829 CD LYS A 57 -8.218 12.517 -5.693 1.00 0.00 C ATOM 830 CE LYS A 57 -7.412 13.658 -5.091 1.00 0.00 C ATOM 831 NZ LYS A 57 -7.854 14.983 -5.607 1.00 0.00 N ATOM 0 H LYS A 57 -6.938 8.603 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.597 8.199 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.430 10.228 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.871 10.551 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.671 11.365 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.007 10.759 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.006 12.444 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.282 12.730 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.511 13.640 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.355 13.515 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.280 15.734 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.735 15.010 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.856 15.132 -5.369 1.00 0.00 H new ATOM 845 N VAL A 58 -8.555 7.778 -6.965 1.00 0.00 N ATOM 846 CA VAL A 58 -7.898 7.160 -8.110 1.00 0.00 C ATOM 847 C VAL A 58 -7.106 8.188 -8.911 1.00 0.00 C ATOM 848 O VAL A 58 -7.657 9.181 -9.383 1.00 0.00 O ATOM 849 CB VAL A 58 -8.917 6.475 -9.041 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.291 6.182 -10.395 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.448 5.201 -8.402 1.00 0.00 C ATOM 0 H VAL A 58 -9.562 7.901 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.216 6.408 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.756 7.154 -9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.026 5.698 -11.039 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.964 7.115 -10.854 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.433 5.522 -10.264 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.166 4.730 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.621 4.515 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.937 5.444 -7.459 1.00 0.00 H new ATOM 861 N GLY A 59 -5.808 7.942 -9.060 1.00 0.00 N ATOM 862 CA GLY A 59 -4.961 8.855 -9.805 1.00 0.00 C ATOM 863 C GLY A 59 -4.081 9.697 -8.902 1.00 0.00 C ATOM 864 O GLY A 59 -3.613 10.764 -9.299 1.00 0.00 O ATOM 0 H GLY A 59 -5.328 7.127 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.333 8.286 -10.491 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.585 9.510 -10.413 1.00 0.00 H new ATOM 868 N ASP A 60 -3.857 9.218 -7.683 1.00 0.00 N ATOM 869 CA ASP A 60 -3.029 9.934 -6.720 1.00 0.00 C ATOM 870 C ASP A 60 -1.854 9.072 -6.268 1.00 0.00 C ATOM 871 O ASP A 60 -1.978 7.854 -6.139 1.00 0.00 O ATOM 872 CB ASP A 60 -3.864 10.356 -5.511 1.00 0.00 C ATOM 873 CG ASP A 60 -4.592 11.666 -5.738 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.335 11.765 -6.737 1.00 0.00 O ATOM 875 OD2 ASP A 60 -4.418 12.592 -4.918 1.00 0.00 O ATOM 0 H ASP A 60 -4.238 8.337 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.636 10.826 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.590 9.575 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.215 10.451 -4.640 1.00 0.00 H new ATOM 880 N ASP A 61 -0.715 9.713 -6.029 1.00 0.00 N ATOM 881 CA ASP A 61 0.483 9.006 -5.591 1.00 0.00 C ATOM 882 C ASP A 61 0.343 8.545 -4.143 1.00 0.00 C ATOM 883 O ASP A 61 -0.255 9.234 -3.316 1.00 0.00 O ATOM 884 CB ASP A 61 1.713 9.903 -5.737 1.00 0.00 C ATOM 885 CG ASP A 61 2.343 9.802 -7.112 1.00 0.00 C ATOM 886 OD1 ASP A 61 3.214 8.928 -7.304 1.00 0.00 O ATOM 887 OD2 ASP A 61 1.964 10.597 -7.997 1.00 0.00 O ATOM 0 H ASP A 61 -0.596 10.721 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 61 0.607 8.127 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.429 10.938 -5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.450 9.630 -4.982 1.00 0.00 H new ATOM 892 N VAL A 62 0.897 7.375 -3.843 1.00 0.00 N ATOM 893 CA VAL A 62 0.834 6.822 -2.496 1.00 0.00 C ATOM 894 C VAL A 62 1.959 5.820 -2.260 1.00 0.00 C ATOM 895 O VAL A 62 2.323 5.059 -3.155 1.00 0.00 O ATOM 896 CB VAL A 62 -0.517 6.130 -2.236 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.567 7.148 -1.816 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.969 5.363 -3.470 1.00 0.00 C ATOM 0 H VAL A 62 1.395 6.791 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 62 0.945 7.658 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.390 5.418 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.515 6.640 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.244 7.648 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.695 7.886 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.925 4.880 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.080 6.053 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.226 4.606 -3.720 1.00 0.00 H new ATOM 908 N GLU A 63 2.505 5.827 -1.048 1.00 0.00 N ATOM 909 CA GLU A 63 3.590 4.919 -0.694 1.00 0.00 C ATOM 910 C GLU A 63 3.054 3.690 0.036 1.00 0.00 C ATOM 911 O GLU A 63 2.177 3.796 0.893 1.00 0.00 O ATOM 912 CB GLU A 63 4.621 5.635 0.180 1.00 0.00 C ATOM 913 CG GLU A 63 5.973 4.943 0.219 1.00 0.00 C ATOM 914 CD GLU A 63 6.769 5.288 1.462 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.229 5.130 2.577 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.934 5.717 1.319 1.00 0.00 O ATOM 0 H GLU A 63 2.214 6.451 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 63 4.071 4.593 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.754 6.652 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.233 5.712 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.826 3.864 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.546 5.224 -0.665 1.00 0.00 H new ATOM 923 N PHE A 64 3.589 2.524 -0.311 1.00 0.00 N ATOM 924 CA PHE A 64 3.164 1.274 0.309 1.00 0.00 C ATOM 925 C PHE A 64 4.320 0.280 0.376 1.00 0.00 C ATOM 926 O PHE A 64 5.416 0.554 -0.111 1.00 0.00 O ATOM 927 CB PHE A 64 1.997 0.664 -0.470 1.00 0.00 C ATOM 928 CG PHE A 64 2.198 0.677 -1.959 1.00 0.00 C ATOM 929 CD1 PHE A 64 2.036 1.847 -2.683 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.548 -0.481 -2.634 1.00 0.00 C ATOM 931 CE1 PHE A 64 2.220 1.862 -4.052 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.735 -0.472 -4.003 1.00 0.00 C ATOM 933 CZ PHE A 64 2.569 0.701 -4.714 1.00 0.00 C ATOM 0 H PHE A 64 4.317 2.418 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 64 2.837 1.494 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.849 -0.364 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.085 1.210 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.763 2.758 -2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.676 -1.401 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.091 2.781 -4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.011 -1.381 -4.517 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.712 0.710 -5.784 1.00 0.00 H new ATOM 943 N GLU A 65 4.066 -0.875 0.984 1.00 0.00 N ATOM 944 CA GLU A 65 5.085 -1.908 1.116 1.00 0.00 C ATOM 945 C GLU A 65 4.617 -3.218 0.489 1.00 0.00 C ATOM 946 O GLU A 65 3.612 -3.795 0.907 1.00 0.00 O ATOM 947 CB GLU A 65 5.430 -2.130 2.590 1.00 0.00 C ATOM 948 CG GLU A 65 6.117 -3.458 2.862 1.00 0.00 C ATOM 949 CD GLU A 65 7.541 -3.496 2.340 1.00 0.00 C ATOM 950 OE1 GLU A 65 8.343 -2.628 2.741 1.00 0.00 O ATOM 951 OE2 GLU A 65 7.851 -4.394 1.531 1.00 0.00 O ATOM 0 H GLU A 65 3.163 -1.118 1.392 1.00 0.00 H new ATOM 0 HA GLU A 65 5.977 -1.571 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.076 -1.320 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.515 -2.076 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.122 -3.647 3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.543 -4.261 2.400 1.00 0.00 H new ATOM 958 N VAL A 66 5.351 -3.683 -0.516 1.00 0.00 N ATOM 959 CA VAL A 66 5.012 -4.924 -1.201 1.00 0.00 C ATOM 960 C VAL A 66 5.311 -6.135 -0.324 1.00 0.00 C ATOM 961 O VAL A 66 6.456 -6.366 0.064 1.00 0.00 O ATOM 962 CB VAL A 66 5.784 -5.063 -2.527 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.433 -6.373 -3.215 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.493 -3.879 -3.438 1.00 0.00 C ATOM 0 H VAL A 66 6.185 -3.218 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 66 3.943 -4.886 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 66 6.852 -5.071 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.988 -6.453 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.695 -7.207 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.364 -6.399 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.046 -3.993 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.425 -3.839 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.799 -2.956 -2.945 1.00 0.00 H new ATOM 974 N SER A 67 4.273 -6.906 -0.016 1.00 0.00 N ATOM 975 CA SER A 67 4.423 -8.092 0.819 1.00 0.00 C ATOM 976 C SER A 67 3.729 -9.294 0.185 1.00 0.00 C ATOM 977 O SER A 67 3.109 -9.180 -0.873 1.00 0.00 O ATOM 978 CB SER A 67 3.849 -7.836 2.214 1.00 0.00 C ATOM 979 OG SER A 67 4.531 -8.600 3.194 1.00 0.00 O ATOM 0 H SER A 67 3.319 -6.731 -0.332 1.00 0.00 H new ATOM 0 HA SER A 67 5.487 -8.312 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.929 -6.776 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.788 -8.087 2.226 1.00 0.00 H new ATOM 0 HG SER A 67 4.147 -8.417 4.077 1.00 0.00 H new ATOM 985 N SER A 68 3.839 -10.446 0.838 1.00 0.00 N ATOM 986 CA SER A 68 3.226 -11.671 0.338 1.00 0.00 C ATOM 987 C SER A 68 2.052 -12.089 1.217 1.00 0.00 C ATOM 988 O SER A 68 2.120 -12.009 2.443 1.00 0.00 O ATOM 989 CB SER A 68 4.261 -12.796 0.279 1.00 0.00 C ATOM 990 OG SER A 68 3.632 -14.065 0.222 1.00 0.00 O ATOM 0 H SER A 68 4.347 -10.557 1.715 1.00 0.00 H new ATOM 0 HA SER A 68 2.853 -11.478 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.898 -12.663 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.907 -12.746 1.155 1.00 0.00 H new ATOM 0 HG SER A 68 4.315 -14.767 0.184 1.00 0.00 H new ATOM 996 N ASP A 69 0.975 -12.537 0.580 1.00 0.00 N ATOM 997 CA ASP A 69 -0.215 -12.969 1.303 1.00 0.00 C ATOM 998 C ASP A 69 -0.001 -14.344 1.929 1.00 0.00 C ATOM 999 O ASP A 69 0.961 -15.040 1.607 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.423 -13.005 0.365 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.737 -13.096 1.115 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.956 -12.275 2.030 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.547 -13.988 0.787 1.00 0.00 O ATOM 0 H ASP A 69 0.902 -12.610 -0.435 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.406 -12.251 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.424 -12.109 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.332 -13.858 -0.307 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.904 -14.727 2.826 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.813 -16.017 3.499 1.00 0.00 C ATOM 1010 C ARG A 70 -1.807 -17.011 2.907 1.00 0.00 C ATOM 1011 O ARG A 70 -1.870 -18.166 3.327 1.00 0.00 O ATOM 1012 CB ARG A 70 -1.070 -15.853 4.998 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.315 -14.690 5.622 1.00 0.00 C ATOM 1014 CD ARG A 70 1.184 -14.944 5.641 1.00 0.00 C ATOM 1015 NE ARG A 70 1.827 -14.517 4.401 1.00 0.00 N ATOM 1016 CZ ARG A 70 3.066 -14.855 4.062 1.00 0.00 C ATOM 1017 NH1 ARG A 70 3.791 -15.621 4.865 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.582 -14.427 2.917 1.00 0.00 N ATOM 0 H ARG A 70 -1.707 -14.162 3.103 1.00 0.00 H new ATOM 0 HA ARG A 70 0.194 -16.406 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.138 -15.711 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.789 -16.774 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.523 -13.778 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.671 -14.528 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.631 -14.414 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.370 -16.006 5.799 1.00 0.00 H new ATOM 0 HE ARG A 70 1.296 -13.927 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.398 -15.952 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.742 -15.879 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.027 -13.838 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.534 -14.687 2.658 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.584 -16.553 1.931 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.577 -17.401 1.283 1.00 0.00 C ATOM 1034 C ARG A 71 -3.211 -17.647 -0.178 1.00 0.00 C ATOM 1035 O ARG A 71 -3.360 -18.758 -0.688 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.963 -16.759 1.371 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.415 -16.481 2.795 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.787 -17.763 3.522 1.00 0.00 C ATOM 1039 NE ARG A 71 -4.638 -18.368 4.190 1.00 0.00 N ATOM 1040 CZ ARG A 71 -4.623 -19.617 4.642 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -5.691 -20.390 4.499 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -3.539 -20.095 5.239 1.00 0.00 N ATOM 0 H ARG A 71 -2.545 -15.599 1.572 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.594 -18.359 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.957 -15.824 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.689 -17.414 0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.619 -15.972 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.272 -15.808 2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.563 -17.550 4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.208 -18.474 2.811 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.800 -17.800 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.527 -20.026 4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.677 -21.349 4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.716 -19.503 5.351 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.529 -21.054 5.586 1.00 0.00 H new ATOM 1056 N THR A 72 -2.731 -16.603 -0.847 1.00 0.00 N ATOM 1057 CA THR A 72 -2.346 -16.705 -2.249 1.00 0.00 C ATOM 1058 C THR A 72 -0.846 -16.496 -2.423 1.00 0.00 C ATOM 1059 O THR A 72 -0.277 -16.844 -3.457 1.00 0.00 O ATOM 1060 CB THR A 72 -3.100 -15.679 -3.115 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.714 -14.350 -2.747 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.604 -15.838 -2.955 1.00 0.00 C ATOM 0 H THR A 72 -2.600 -15.677 -0.440 1.00 0.00 H new ATOM 0 HA THR A 72 -2.611 -17.710 -2.577 1.00 0.00 H new ATOM 0 HB THR A 72 -2.841 -15.856 -4.159 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.196 -13.703 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.116 -15.103 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.899 -16.841 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.877 -15.684 -1.911 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.210 -15.926 -1.404 1.00 0.00 N ATOM 1071 CA GLY A 73 1.219 -15.681 -1.465 1.00 0.00 C ATOM 1072 C GLY A 73 1.593 -14.701 -2.560 1.00 0.00 C ATOM 1073 O GLY A 73 2.758 -14.608 -2.949 1.00 0.00 O ATOM 0 H GLY A 73 -0.659 -15.630 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.560 -15.295 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.739 -16.624 -1.632 1.00 0.00 H new ATOM 1077 N LYS A 74 0.604 -13.970 -3.061 1.00 0.00 N ATOM 1078 CA LYS A 74 0.833 -12.992 -4.118 1.00 0.00 C ATOM 1079 C LYS A 74 1.321 -11.668 -3.539 1.00 0.00 C ATOM 1080 O LYS A 74 1.049 -11.330 -2.387 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.450 -12.768 -4.921 1.00 0.00 C ATOM 1082 CG LYS A 74 -0.922 -14.002 -5.671 1.00 0.00 C ATOM 1083 CD LYS A 74 -1.677 -13.630 -6.936 1.00 0.00 C ATOM 1084 CE LYS A 74 -2.692 -14.698 -7.314 1.00 0.00 C ATOM 1085 NZ LYS A 74 -3.481 -14.314 -8.517 1.00 0.00 N ATOM 0 H LYS A 74 -0.366 -14.036 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 74 1.605 -13.385 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.239 -12.440 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.286 -11.960 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.064 -14.623 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.565 -14.598 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.187 -12.678 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.971 -13.491 -7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.175 -15.639 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.368 -14.869 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.161 -15.068 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.995 -13.430 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.839 -14.176 -9.323 1.00 0.00 H new ATOM 1099 N PRO A 75 2.058 -10.900 -4.355 1.00 0.00 N ATOM 1100 CA PRO A 75 2.597 -9.600 -3.945 1.00 0.00 C ATOM 1101 C PRO A 75 1.507 -8.547 -3.778 1.00 0.00 C ATOM 1102 O PRO A 75 1.046 -7.956 -4.755 1.00 0.00 O ATOM 1103 CB PRO A 75 3.531 -9.224 -5.098 1.00 0.00 C ATOM 1104 CG PRO A 75 2.991 -9.958 -6.277 1.00 0.00 C ATOM 1105 CD PRO A 75 2.421 -11.241 -5.741 1.00 0.00 C ATOM 0 HA PRO A 75 3.093 -9.652 -2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.535 -8.148 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.559 -9.517 -4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.224 -9.372 -6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.776 -10.155 -7.007 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.553 -11.566 -6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.150 -12.051 -5.778 1.00 0.00 H new ATOM 1113 N ILE A 76 1.099 -8.317 -2.534 1.00 0.00 N ATOM 1114 CA ILE A 76 0.064 -7.334 -2.240 1.00 0.00 C ATOM 1115 C ILE A 76 0.645 -6.123 -1.517 1.00 0.00 C ATOM 1116 O ILE A 76 1.763 -6.171 -1.006 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.060 -7.940 -1.379 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.488 -8.507 -0.079 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.797 -9.022 -2.156 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.486 -8.541 1.057 1.00 0.00 C ATOM 0 H ILE A 76 1.469 -8.798 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.352 -7.019 -3.197 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.770 -7.152 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.124 -9.518 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.372 -7.908 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.588 -9.441 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.233 -8.590 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.098 -9.811 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.011 -8.955 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.832 -7.529 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.335 -9.164 0.776 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.123 -5.040 -1.477 1.00 0.00 N ATOM 1133 CA ALA A 77 0.314 -3.818 -0.813 1.00 0.00 C ATOM 1134 C ALA A 77 -0.152 -3.785 0.638 1.00 0.00 C ATOM 1135 O ALA A 77 -1.243 -4.255 0.962 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.201 -2.597 -1.562 1.00 0.00 C ATOM 0 H ALA A 77 -1.051 -4.984 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 77 1.404 -3.801 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.133 -1.692 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.185 -2.606 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.291 -2.618 -1.587 1.00 0.00 H new ATOM 1142 N VAL A 78 0.682 -3.227 1.510 1.00 0.00 N ATOM 1143 CA VAL A 78 0.355 -3.133 2.928 1.00 0.00 C ATOM 1144 C VAL A 78 0.902 -1.845 3.533 1.00 0.00 C ATOM 1145 O VAL A 78 1.861 -1.264 3.024 1.00 0.00 O ATOM 1146 CB VAL A 78 0.913 -4.334 3.714 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.173 -5.609 3.338 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.407 -4.483 3.468 1.00 0.00 C ATOM 0 H VAL A 78 1.589 -2.833 1.259 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.732 -3.134 3.003 1.00 0.00 H new ATOM 0 HB VAL A 78 0.759 -4.153 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.581 -6.447 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.886 -5.497 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.293 -5.798 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.785 -5.336 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.587 -4.641 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.921 -3.578 3.792 1.00 0.00 H new ATOM 1158 N LYS A 79 0.287 -1.403 4.625 1.00 0.00 N ATOM 1159 CA LYS A 79 0.712 -0.184 5.303 1.00 0.00 C ATOM 1160 C LYS A 79 0.787 0.985 4.326 1.00 0.00 C ATOM 1161 O LYS A 79 1.794 1.691 4.262 1.00 0.00 O ATOM 1162 CB LYS A 79 2.075 -0.394 5.967 1.00 0.00 C ATOM 1163 CG LYS A 79 2.099 -1.551 6.952 1.00 0.00 C ATOM 1164 CD LYS A 79 3.521 -1.954 7.303 1.00 0.00 C ATOM 1165 CE LYS A 79 4.055 -3.006 6.343 1.00 0.00 C ATOM 1166 NZ LYS A 79 3.740 -4.387 6.803 1.00 0.00 N ATOM 0 H LYS A 79 -0.508 -1.871 5.060 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.027 0.052 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.823 -0.570 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.362 0.520 6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.565 -1.269 7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.573 -2.405 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.166 -1.076 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.550 -2.341 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.626 -2.846 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.135 -2.893 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.121 -5.075 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.170 -4.549 7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.709 -4.503 6.873 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.286 1.185 3.567 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.342 2.270 2.593 1.00 0.00 C ATOM 1182 C LEU A 80 -0.306 3.627 3.288 1.00 0.00 C ATOM 1183 O LEU A 80 -0.781 3.773 4.415 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.608 2.153 1.743 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.427 2.354 0.238 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.278 1.014 -0.465 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.599 3.134 -0.341 1.00 0.00 C ATOM 0 H LEU A 80 -1.128 0.611 3.607 1.00 0.00 H new ATOM 0 HA LEU A 80 0.531 2.190 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.042 1.167 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.332 2.884 2.103 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.516 2.930 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.150 1.177 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.407 0.491 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.170 0.412 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.453 3.268 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.524 2.584 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.660 4.110 0.141 1.00 0.00 H new ATOM 1199 N VAL A 81 0.258 4.620 2.608 1.00 0.00 N ATOM 1200 CA VAL A 81 0.353 5.967 3.158 1.00 0.00 C ATOM 1201 C VAL A 81 0.491 7.005 2.050 1.00 0.00 C ATOM 1202 O VAL A 81 1.323 6.866 1.153 1.00 0.00 O ATOM 1203 CB VAL A 81 1.549 6.097 4.120 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.348 5.217 5.344 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.846 5.745 3.407 1.00 0.00 C ATOM 0 H VAL A 81 0.656 4.517 1.675 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.569 6.149 3.710 1.00 0.00 H new ATOM 0 HB VAL A 81 1.614 7.133 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.203 5.322 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.440 5.521 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.256 4.176 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.681 5.842 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.794 4.719 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.994 6.421 2.565 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.331 8.046 2.117 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.302 9.111 1.121 1.00 0.00 C ATOM 1217 C LYS A 82 1.019 9.872 1.177 1.00 0.00 C ATOM 1218 O LYS A 82 1.480 10.254 2.254 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.469 10.075 1.340 1.00 0.00 C ATOM 1220 CG LYS A 82 -1.967 10.728 0.062 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.440 11.090 0.158 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.786 12.262 -0.747 1.00 0.00 C ATOM 1223 NZ LYS A 82 -3.412 13.566 -0.132 1.00 0.00 N ATOM 0 H LYS A 82 -1.027 8.175 2.852 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.397 8.655 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.293 9.535 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.161 10.852 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.383 11.626 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.812 10.051 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.046 10.227 -0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.688 11.340 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.271 12.149 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.855 12.254 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.664 14.340 -0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.923 13.686 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.388 13.584 0.047 1.00 0.00 H new ATOM 1237 N ILE A 83 1.621 10.091 0.013 1.00 0.00 N ATOM 1238 CA ILE A 83 2.886 10.810 -0.069 1.00 0.00 C ATOM 1239 C ILE A 83 2.688 12.302 0.176 1.00 0.00 C ATOM 1240 O ILE A 83 3.273 12.874 1.096 1.00 0.00 O ATOM 1241 CB ILE A 83 3.559 10.611 -1.440 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.483 9.142 -1.861 1.00 0.00 C ATOM 1243 CG2 ILE A 83 5.005 11.080 -1.393 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.544 8.745 -2.864 1.00 0.00 C ATOM 0 H ILE A 83 1.253 9.781 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 83 3.532 10.400 0.707 1.00 0.00 H new ATOM 0 HB ILE A 83 3.027 11.209 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.578 8.513 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.499 8.945 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.467 10.933 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.036 12.138 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.550 10.506 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.430 7.691 -3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.436 9.348 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.532 8.910 -2.433 1.00 0.00 H new ATOM 1256 N SER A 84 1.857 12.927 -0.652 1.00 0.00 N ATOM 1257 CA SER A 84 1.583 14.353 -0.527 1.00 0.00 C ATOM 1258 C SER A 84 0.978 14.673 0.837 1.00 0.00 C ATOM 1259 O SER A 84 0.009 14.046 1.261 1.00 0.00 O ATOM 1260 CB SER A 84 0.634 14.811 -1.638 1.00 0.00 C ATOM 1261 OG SER A 84 0.831 16.180 -1.944 1.00 0.00 O ATOM 0 H SER A 84 1.362 12.468 -1.417 1.00 0.00 H new ATOM 0 HA SER A 84 2.528 14.889 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.797 14.208 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.399 14.649 -1.328 1.00 0.00 H new ATOM 0 HG SER A 84 0.215 16.448 -2.657 1.00 0.00 H new ATOM 1267 N GLY A 85 1.560 15.655 1.519 1.00 0.00 N ATOM 1268 CA GLY A 85 1.067 16.041 2.828 1.00 0.00 C ATOM 1269 C GLY A 85 1.062 17.544 3.025 1.00 0.00 C ATOM 1270 O GLY A 85 1.973 18.117 3.622 1.00 0.00 O ATOM 0 H GLY A 85 2.363 16.190 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.055 15.657 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.686 15.579 3.597 1.00 0.00 H new ATOM 1274 N PRO A 86 0.015 18.209 2.513 1.00 0.00 N ATOM 1275 CA PRO A 86 -0.130 19.663 2.622 1.00 0.00 C ATOM 1276 C PRO A 86 -0.419 20.112 4.050 1.00 0.00 C ATOM 1277 O PRO A 86 -1.193 19.476 4.766 1.00 0.00 O ATOM 1278 CB PRO A 86 -1.323 19.970 1.713 1.00 0.00 C ATOM 1279 CG PRO A 86 -2.111 18.706 1.683 1.00 0.00 C ATOM 1280 CD PRO A 86 -1.108 17.591 1.788 1.00 0.00 C ATOM 0 HA PRO A 86 0.784 20.186 2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.916 20.797 2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.996 20.256 0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.823 18.670 2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.687 18.627 0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.513 16.736 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.803 17.231 0.805 1.00 0.00 H new ATOM 1288 N SER A 87 0.207 21.210 4.459 1.00 0.00 N ATOM 1289 CA SER A 87 0.019 21.742 5.804 1.00 0.00 C ATOM 1290 C SER A 87 -1.377 22.336 5.963 1.00 0.00 C ATOM 1291 O SER A 87 -1.652 23.439 5.489 1.00 0.00 O ATOM 1292 CB SER A 87 1.076 22.806 6.107 1.00 0.00 C ATOM 1293 OG SER A 87 2.276 22.214 6.574 1.00 0.00 O ATOM 0 H SER A 87 0.849 21.749 3.878 1.00 0.00 H new ATOM 0 HA SER A 87 0.128 20.920 6.512 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.280 23.387 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.694 23.500 6.856 1.00 0.00 H new ATOM 0 HG SER A 87 2.936 22.914 6.759 1.00 0.00 H new ATOM 1299 N SER A 88 -2.255 21.597 6.633 1.00 0.00 N ATOM 1300 CA SER A 88 -3.624 22.048 6.852 1.00 0.00 C ATOM 1301 C SER A 88 -3.777 22.671 8.237 1.00 0.00 C ATOM 1302 O SER A 88 -3.988 21.969 9.225 1.00 0.00 O ATOM 1303 CB SER A 88 -4.600 20.880 6.696 1.00 0.00 C ATOM 1304 OG SER A 88 -5.890 21.225 7.170 1.00 0.00 O ATOM 0 H SER A 88 -2.043 20.683 7.034 1.00 0.00 H new ATOM 0 HA SER A 88 -3.853 22.807 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.660 20.590 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.227 20.015 7.245 1.00 0.00 H new ATOM 0 HG SER A 88 -6.495 20.462 7.057 1.00 0.00 H new ATOM 1310 N GLY A 89 -3.667 23.994 8.299 1.00 0.00 N ATOM 1311 CA GLY A 89 -3.794 24.690 9.566 1.00 0.00 C ATOM 1312 C GLY A 89 -3.512 26.175 9.443 1.00 0.00 C ATOM 1313 O GLY A 89 -3.018 26.636 8.414 1.00 0.00 O ATOM 0 H GLY A 89 -3.492 24.596 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.801 24.546 9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.106 24.251 10.289 1.00 0.00 H new TER 1317 GLY A 89