USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 937 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 67 HIS : no HD1:sc= -8.18 K(o=-9.7,f=-11!) USER MOD Set 1.2: A 112 GLN : amide:sc= -1.56 K(o=-9.7,f=-11!) USER MOD Set 2.1: A 91 ASN : amide:sc= -0.306 K(o=-1.1,f=1.2) USER MOD Set 2.2: A 93 GLN : amide:sc= -0.808 K(o=-1.1,f=1.2) USER MOD Set 3.1: A 52 SER OG : rot -121:sc= 0.229 USER MOD Set 3.2: A 54 CYS SG : rot 52:sc= 0.177 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 47:sc= 1.14 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 10 ASN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00303) USER MOD Single : A 12 ASN : amide:sc= -1.84! C(o=-1.8!,f=-1.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -111:sc= -3! (180deg=-6.52!) USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= 0.951 (180deg=-0.252) USER MOD Single : A 27 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-4!) USER MOD Single : A 28 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.082) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.0912 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0012 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-1.7) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.00814 K(o=0.0081,f=-0.95) USER MOD Single : A 72 CYS SG : rot 2:sc= -1.28 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 77 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.15) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= -0.0499 (180deg=-0.34) USER MOD Single : A 80 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -174:sc= 0.927 (180deg=0.919) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00232) USER MOD Single : A 94 THR OG1 : rot -170:sc= -0.816 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0593 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot -170:sc= -0.0468 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -152:sc= -0.969 (180deg=-2.33!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.53) USER MOD Single : A 113 ASN : amide:sc= -1.86 K(o=-1.9,f=-1.3) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 14:sc= 0.0613 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.861 -14.349 -16.776 1.00 0.00 N ATOM 2 CA GLY A 1 18.603 -14.348 -18.023 1.00 0.00 C ATOM 3 C GLY A 1 18.741 -15.736 -18.616 1.00 0.00 C ATOM 4 O GLY A 1 19.083 -16.687 -17.914 1.00 0.00 O ATOM 0 H1 GLY A 1 17.794 -13.377 -16.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.905 -14.723 -16.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.351 -14.947 -16.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.102 -13.698 -18.740 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.595 -13.929 -17.852 1.00 0.00 H new ATOM 8 N SER A 2 18.474 -15.853 -19.913 1.00 0.00 N ATOM 9 CA SER A 2 18.565 -17.136 -20.600 1.00 0.00 C ATOM 10 C SER A 2 19.902 -17.813 -20.311 1.00 0.00 C ATOM 11 O SER A 2 19.951 -18.994 -19.969 1.00 0.00 O ATOM 12 CB SER A 2 18.392 -16.945 -22.108 1.00 0.00 C ATOM 13 OG SER A 2 18.591 -18.164 -22.802 1.00 0.00 O ATOM 0 H SER A 2 18.193 -15.075 -20.509 1.00 0.00 H new ATOM 0 HA SER A 2 17.765 -17.777 -20.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.393 -16.563 -22.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.101 -16.199 -22.467 1.00 0.00 H new ATOM 0 HG SER A 2 18.473 -18.016 -23.764 1.00 0.00 H new ATOM 19 N SER A 3 20.984 -17.054 -20.452 1.00 0.00 N ATOM 20 CA SER A 3 22.322 -17.580 -20.210 1.00 0.00 C ATOM 21 C SER A 3 22.672 -17.516 -18.727 1.00 0.00 C ATOM 22 O SER A 3 22.378 -16.531 -18.050 1.00 0.00 O ATOM 23 CB SER A 3 23.355 -16.798 -21.024 1.00 0.00 C ATOM 24 OG SER A 3 24.590 -17.490 -21.081 1.00 0.00 O ATOM 0 H SER A 3 20.960 -16.074 -20.732 1.00 0.00 H new ATOM 0 HA SER A 3 22.337 -18.624 -20.523 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.979 -16.635 -22.034 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.506 -15.815 -20.578 1.00 0.00 H new ATOM 0 HG SER A 3 25.232 -16.970 -21.608 1.00 0.00 H new ATOM 30 N GLY A 4 23.303 -18.575 -18.227 1.00 0.00 N ATOM 31 CA GLY A 4 23.682 -18.619 -16.827 1.00 0.00 C ATOM 32 C GLY A 4 22.860 -19.617 -16.035 1.00 0.00 C ATOM 33 O GLY A 4 22.179 -20.465 -16.610 1.00 0.00 O ATOM 0 H GLY A 4 23.558 -19.402 -18.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.738 -18.878 -16.748 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.563 -17.627 -16.390 1.00 0.00 H new ATOM 37 N SER A 5 22.925 -19.516 -14.711 1.00 0.00 N ATOM 38 CA SER A 5 22.185 -20.420 -13.839 1.00 0.00 C ATOM 39 C SER A 5 20.687 -20.336 -14.114 1.00 0.00 C ATOM 40 O SER A 5 20.011 -19.415 -13.656 1.00 0.00 O ATOM 41 CB SER A 5 22.465 -20.090 -12.372 1.00 0.00 C ATOM 42 OG SER A 5 21.972 -18.804 -12.036 1.00 0.00 O ATOM 0 H SER A 5 23.482 -18.817 -14.219 1.00 0.00 H new ATOM 0 HA SER A 5 22.518 -21.437 -14.045 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.000 -20.840 -11.732 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.538 -20.132 -12.185 1.00 0.00 H new ATOM 0 HG SER A 5 21.061 -18.702 -12.382 1.00 0.00 H new ATOM 48 N SER A 6 20.175 -21.305 -14.867 1.00 0.00 N ATOM 49 CA SER A 6 18.757 -21.339 -15.208 1.00 0.00 C ATOM 50 C SER A 6 17.894 -21.242 -13.954 1.00 0.00 C ATOM 51 O SER A 6 18.203 -21.845 -12.926 1.00 0.00 O ATOM 52 CB SER A 6 18.426 -22.623 -15.971 1.00 0.00 C ATOM 53 OG SER A 6 18.742 -23.770 -15.201 1.00 0.00 O ATOM 0 H SER A 6 20.720 -22.076 -15.252 1.00 0.00 H new ATOM 0 HA SER A 6 18.540 -20.480 -15.844 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.367 -22.634 -16.228 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.982 -22.646 -16.908 1.00 0.00 H new ATOM 0 HG SER A 6 18.520 -24.577 -15.710 1.00 0.00 H new ATOM 59 N GLY A 7 16.810 -20.478 -14.046 1.00 0.00 N ATOM 60 CA GLY A 7 15.919 -20.315 -12.913 1.00 0.00 C ATOM 61 C GLY A 7 15.295 -18.934 -12.860 1.00 0.00 C ATOM 62 O GLY A 7 15.807 -18.023 -12.209 1.00 0.00 O ATOM 0 H GLY A 7 16.533 -19.969 -14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.130 -21.065 -12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.472 -20.496 -11.991 1.00 0.00 H new ATOM 66 N PRO A 8 14.163 -18.765 -13.559 1.00 0.00 N ATOM 67 CA PRO A 8 13.445 -17.488 -13.606 1.00 0.00 C ATOM 68 C PRO A 8 12.789 -17.142 -12.273 1.00 0.00 C ATOM 69 O PRO A 8 12.745 -17.967 -11.359 1.00 0.00 O ATOM 70 CB PRO A 8 12.380 -17.719 -14.681 1.00 0.00 C ATOM 71 CG PRO A 8 12.165 -19.193 -14.691 1.00 0.00 C ATOM 72 CD PRO A 8 13.496 -19.808 -14.357 1.00 0.00 C ATOM 0 HA PRO A 8 14.112 -16.653 -13.820 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.459 -17.186 -14.446 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.716 -17.361 -15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.408 -19.482 -13.962 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.813 -19.529 -15.666 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.381 -20.733 -13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.063 -20.051 -15.255 1.00 0.00 H new ATOM 80 N TYR A 9 12.281 -15.920 -12.168 1.00 0.00 N ATOM 81 CA TYR A 9 11.629 -15.465 -10.946 1.00 0.00 C ATOM 82 C TYR A 9 10.124 -15.324 -11.151 1.00 0.00 C ATOM 83 O TYR A 9 9.652 -15.162 -12.276 1.00 0.00 O ATOM 84 CB TYR A 9 12.221 -14.128 -10.495 1.00 0.00 C ATOM 85 CG TYR A 9 11.683 -12.939 -11.259 1.00 0.00 C ATOM 86 CD1 TYR A 9 10.438 -12.402 -10.960 1.00 0.00 C ATOM 87 CD2 TYR A 9 12.422 -12.353 -12.279 1.00 0.00 C ATOM 88 CE1 TYR A 9 9.943 -11.316 -11.656 1.00 0.00 C ATOM 89 CE2 TYR A 9 11.936 -11.266 -12.980 1.00 0.00 C ATOM 90 CZ TYR A 9 10.696 -10.752 -12.665 1.00 0.00 C ATOM 91 OH TYR A 9 10.207 -9.669 -13.360 1.00 0.00 O ATOM 0 H TYR A 9 12.308 -15.226 -12.915 1.00 0.00 H new ATOM 0 HA TYR A 9 11.803 -16.212 -10.172 1.00 0.00 H new ATOM 0 HB2 TYR A 9 12.017 -13.990 -9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 9 13.304 -14.163 -10.609 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.847 -12.841 -10.170 1.00 0.00 H new ATOM 0 HD2 TYR A 9 13.393 -12.754 -12.528 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.972 -10.911 -11.412 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.524 -10.822 -13.770 1.00 0.00 H new ATOM 0 HH TYR A 9 10.860 -9.392 -14.036 1.00 0.00 H new ATOM 101 N ASN A 10 9.375 -15.387 -10.055 1.00 0.00 N ATOM 102 CA ASN A 10 7.923 -15.267 -10.113 1.00 0.00 C ATOM 103 C ASN A 10 7.447 -14.042 -9.337 1.00 0.00 C ATOM 104 O ASN A 10 6.613 -13.274 -9.817 1.00 0.00 O ATOM 105 CB ASN A 10 7.263 -16.528 -9.552 1.00 0.00 C ATOM 106 CG ASN A 10 7.668 -17.778 -10.309 1.00 0.00 C ATOM 107 OD1 ASN A 10 6.957 -18.232 -11.205 1.00 0.00 O ATOM 108 ND2 ASN A 10 8.817 -18.340 -9.951 1.00 0.00 N ATOM 0 H ASN A 10 9.750 -15.521 -9.116 1.00 0.00 H new ATOM 0 HA ASN A 10 7.635 -15.148 -11.157 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.532 -16.639 -8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.179 -16.417 -9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.142 -19.183 -10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.374 -17.929 -9.202 1.00 0.00 H new ATOM 115 N LYS A 11 7.984 -13.866 -8.134 1.00 0.00 N ATOM 116 CA LYS A 11 7.617 -12.734 -7.291 1.00 0.00 C ATOM 117 C LYS A 11 7.493 -11.458 -8.116 1.00 0.00 C ATOM 118 O LYS A 11 8.147 -11.309 -9.148 1.00 0.00 O ATOM 119 CB LYS A 11 8.655 -12.539 -6.183 1.00 0.00 C ATOM 120 CG LYS A 11 8.346 -13.317 -4.916 1.00 0.00 C ATOM 121 CD LYS A 11 8.739 -14.779 -5.048 1.00 0.00 C ATOM 122 CE LYS A 11 10.243 -14.966 -4.912 1.00 0.00 C ATOM 123 NZ LYS A 11 10.682 -14.906 -3.490 1.00 0.00 N ATOM 0 H LYS A 11 8.675 -14.493 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 11 6.648 -12.949 -6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.633 -12.842 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.721 -11.478 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.878 -12.871 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.281 -13.244 -4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.228 -15.365 -4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.410 -15.160 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.530 -15.926 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.758 -14.195 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.707 -15.071 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.461 -13.968 -3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.184 -15.636 -2.942 1.00 0.00 H new ATOM 137 N ASN A 12 6.652 -10.539 -7.654 1.00 0.00 N ATOM 138 CA ASN A 12 6.443 -9.274 -8.350 1.00 0.00 C ATOM 139 C ASN A 12 7.534 -8.269 -7.991 1.00 0.00 C ATOM 140 O ASN A 12 7.956 -7.471 -8.826 1.00 0.00 O ATOM 141 CB ASN A 12 5.069 -8.698 -8.004 1.00 0.00 C ATOM 142 CG ASN A 12 4.795 -7.387 -8.716 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.577 -7.360 -9.927 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.807 -6.292 -7.965 1.00 0.00 N ATOM 0 H ASN A 12 6.104 -10.646 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 12 6.489 -9.466 -9.422 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.298 -9.421 -8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.004 -8.544 -6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.631 -5.381 -8.389 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.992 -6.362 -6.964 1.00 0.00 H new ATOM 151 N GLY A 13 7.986 -8.316 -6.741 1.00 0.00 N ATOM 152 CA GLY A 13 9.023 -7.406 -6.293 1.00 0.00 C ATOM 153 C GLY A 13 8.823 -6.960 -4.858 1.00 0.00 C ATOM 154 O GLY A 13 9.699 -6.326 -4.269 1.00 0.00 O ATOM 0 H GLY A 13 7.652 -8.968 -6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.994 -7.892 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.040 -6.531 -6.943 1.00 0.00 H new ATOM 158 N PHE A 14 7.666 -7.290 -4.293 1.00 0.00 N ATOM 159 CA PHE A 14 7.352 -6.917 -2.919 1.00 0.00 C ATOM 160 C PHE A 14 8.310 -7.590 -1.940 1.00 0.00 C ATOM 161 O PHE A 14 9.052 -8.502 -2.307 1.00 0.00 O ATOM 162 CB PHE A 14 5.909 -7.298 -2.582 1.00 0.00 C ATOM 163 CG PHE A 14 4.897 -6.296 -3.058 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.456 -6.308 -4.371 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.388 -5.341 -2.192 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.524 -5.387 -4.813 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.456 -4.418 -2.628 1.00 0.00 C ATOM 168 CZ PHE A 14 3.025 -4.440 -3.940 1.00 0.00 C ATOM 0 H PHE A 14 6.930 -7.815 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 14 7.466 -5.837 -2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.685 -8.268 -3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.815 -7.412 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.845 -7.045 -5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.723 -5.318 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.187 -5.408 -5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.065 -3.680 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.299 -3.718 -4.283 1.00 0.00 H new ATOM 178 N LYS A 15 8.289 -7.134 -0.693 1.00 0.00 N ATOM 179 CA LYS A 15 9.154 -7.691 0.341 1.00 0.00 C ATOM 180 C LYS A 15 8.468 -7.653 1.703 1.00 0.00 C ATOM 181 O LYS A 15 7.473 -6.952 1.889 1.00 0.00 O ATOM 182 CB LYS A 15 10.473 -6.918 0.401 1.00 0.00 C ATOM 183 CG LYS A 15 11.237 -6.915 -0.912 1.00 0.00 C ATOM 184 CD LYS A 15 12.647 -6.378 -0.735 1.00 0.00 C ATOM 185 CE LYS A 15 13.512 -7.337 0.068 1.00 0.00 C ATOM 186 NZ LYS A 15 14.964 -7.108 -0.173 1.00 0.00 N ATOM 0 H LYS A 15 7.682 -6.379 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 15 9.360 -8.731 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.268 -5.889 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.103 -7.351 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.280 -7.928 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.704 -6.307 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.099 -6.210 -1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.609 -5.412 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.297 -7.218 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.257 -8.364 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.520 -7.781 0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.174 -7.246 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.213 -6.136 0.102 1.00 0.00 H new ATOM 200 N VAL A 16 9.006 -8.411 2.653 1.00 0.00 N ATOM 201 CA VAL A 16 8.448 -8.462 3.998 1.00 0.00 C ATOM 202 C VAL A 16 9.033 -7.364 4.879 1.00 0.00 C ATOM 203 O VAL A 16 10.219 -7.379 5.203 1.00 0.00 O ATOM 204 CB VAL A 16 8.706 -9.828 4.662 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.378 -9.772 6.146 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.899 -10.917 3.970 1.00 0.00 C ATOM 0 H VAL A 16 9.828 -8.999 2.515 1.00 0.00 H new ATOM 0 HA VAL A 16 7.373 -8.311 3.899 1.00 0.00 H new ATOM 0 HB VAL A 16 9.764 -10.069 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.567 -10.746 6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.003 -9.021 6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.328 -9.509 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.093 -11.875 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.837 -10.684 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.188 -10.973 2.921 1.00 0.00 H new ATOM 216 N GLY A 17 8.190 -6.410 5.263 1.00 0.00 N ATOM 217 CA GLY A 17 8.642 -5.316 6.103 1.00 0.00 C ATOM 218 C GLY A 17 8.209 -3.962 5.576 1.00 0.00 C ATOM 219 O GLY A 17 8.242 -2.968 6.299 1.00 0.00 O ATOM 0 H GLY A 17 7.203 -6.375 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.252 -5.451 7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.729 -5.343 6.176 1.00 0.00 H new ATOM 223 N MET A 18 7.803 -3.924 4.311 1.00 0.00 N ATOM 224 CA MET A 18 7.362 -2.682 3.687 1.00 0.00 C ATOM 225 C MET A 18 5.868 -2.465 3.904 1.00 0.00 C ATOM 226 O MET A 18 5.054 -3.343 3.614 1.00 0.00 O ATOM 227 CB MET A 18 7.675 -2.699 2.190 1.00 0.00 C ATOM 228 CG MET A 18 6.932 -3.783 1.426 1.00 0.00 C ATOM 229 SD MET A 18 7.245 -3.722 -0.348 1.00 0.00 S ATOM 230 CE MET A 18 9.014 -3.997 -0.390 1.00 0.00 C ATOM 0 H MET A 18 7.770 -4.739 3.698 1.00 0.00 H new ATOM 0 HA MET A 18 7.902 -1.858 4.154 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.423 -1.728 1.764 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.747 -2.839 2.053 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.227 -4.760 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.862 -3.680 1.606 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.517 -3.083 -0.707 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.362 -4.277 0.604 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.241 -4.799 -1.093 1.00 0.00 H new ATOM 240 N LYS A 19 5.513 -1.292 4.416 1.00 0.00 N ATOM 241 CA LYS A 19 4.117 -0.959 4.671 1.00 0.00 C ATOM 242 C LYS A 19 3.441 -0.438 3.407 1.00 0.00 C ATOM 243 O LYS A 19 4.110 -0.072 2.439 1.00 0.00 O ATOM 244 CB LYS A 19 4.016 0.088 5.784 1.00 0.00 C ATOM 245 CG LYS A 19 4.408 -0.440 7.153 1.00 0.00 C ATOM 246 CD LYS A 19 4.885 0.677 8.065 1.00 0.00 C ATOM 247 CE LYS A 19 5.733 0.140 9.208 1.00 0.00 C ATOM 248 NZ LYS A 19 6.092 1.208 10.182 1.00 0.00 N ATOM 0 H LYS A 19 6.174 -0.555 4.663 1.00 0.00 H new ATOM 0 HA LYS A 19 3.605 -1.868 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.655 0.935 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.993 0.462 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.555 -0.943 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.197 -1.185 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.465 1.397 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.025 1.211 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.189 -0.653 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.643 -0.306 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.047 1.031 10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.071 2.133 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.409 1.207 10.966 1.00 0.00 H new ATOM 262 N LEU A 20 2.113 -0.406 3.421 1.00 0.00 N ATOM 263 CA LEU A 20 1.347 0.071 2.275 1.00 0.00 C ATOM 264 C LEU A 20 -0.128 0.223 2.632 1.00 0.00 C ATOM 265 O LEU A 20 -0.554 -0.154 3.723 1.00 0.00 O ATOM 266 CB LEU A 20 1.502 -0.891 1.096 1.00 0.00 C ATOM 267 CG LEU A 20 0.709 -2.195 1.185 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.396 -2.726 -0.205 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.477 -3.232 1.993 1.00 0.00 C ATOM 0 H LEU A 20 1.544 -0.705 4.213 1.00 0.00 H new ATOM 0 HA LEU A 20 1.736 1.049 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.205 -0.370 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.558 -1.138 0.991 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.233 -1.991 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.169 -3.655 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.194 -1.990 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.326 -2.914 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.898 -4.154 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.434 -3.432 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.650 -2.853 3.000 1.00 0.00 H new ATOM 281 N GLU A 21 -0.902 0.776 1.703 1.00 0.00 N ATOM 282 CA GLU A 21 -2.330 0.976 1.920 1.00 0.00 C ATOM 283 C GLU A 21 -3.151 0.138 0.943 1.00 0.00 C ATOM 284 O GLU A 21 -2.811 0.025 -0.233 1.00 0.00 O ATOM 285 CB GLU A 21 -2.690 2.455 1.767 1.00 0.00 C ATOM 286 CG GLU A 21 -2.023 3.353 2.797 1.00 0.00 C ATOM 287 CD GLU A 21 -0.672 3.865 2.336 1.00 0.00 C ATOM 288 OE1 GLU A 21 0.289 3.068 2.314 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.577 5.063 1.998 1.00 0.00 O ATOM 0 H GLU A 21 -0.564 1.093 0.794 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.565 0.655 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.406 2.788 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.771 2.567 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.675 4.200 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.900 2.802 3.729 1.00 0.00 H new ATOM 296 N GLY A 22 -4.236 -0.448 1.442 1.00 0.00 N ATOM 297 CA GLY A 22 -5.088 -1.268 0.602 1.00 0.00 C ATOM 298 C GLY A 22 -6.561 -0.979 0.813 1.00 0.00 C ATOM 299 O GLY A 22 -6.922 -0.027 1.505 1.00 0.00 O ATOM 0 H GLY A 22 -4.539 -0.369 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.834 -1.098 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.894 -2.320 0.810 1.00 0.00 H new ATOM 303 N VAL A 23 -7.416 -1.803 0.214 1.00 0.00 N ATOM 304 CA VAL A 23 -8.858 -1.631 0.340 1.00 0.00 C ATOM 305 C VAL A 23 -9.477 -2.757 1.160 1.00 0.00 C ATOM 306 O VAL A 23 -9.004 -3.893 1.129 1.00 0.00 O ATOM 307 CB VAL A 23 -9.540 -1.581 -1.041 1.00 0.00 C ATOM 308 CG1 VAL A 23 -11.015 -1.933 -0.921 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.360 -0.210 -1.674 1.00 0.00 C ATOM 0 H VAL A 23 -7.134 -2.596 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.020 -0.682 0.852 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.067 -2.319 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.480 -1.892 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.117 -2.938 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.506 -1.221 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.848 -0.192 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.806 0.549 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.297 -0.003 -1.796 1.00 0.00 H new ATOM 319 N ASP A 24 -10.537 -2.435 1.892 1.00 0.00 N ATOM 320 CA ASP A 24 -11.223 -3.421 2.720 1.00 0.00 C ATOM 321 C ASP A 24 -12.283 -4.164 1.914 1.00 0.00 C ATOM 322 O ASP A 24 -12.950 -3.598 1.048 1.00 0.00 O ATOM 323 CB ASP A 24 -11.867 -2.742 3.930 1.00 0.00 C ATOM 324 CG ASP A 24 -12.743 -1.569 3.538 1.00 0.00 C ATOM 325 OD1 ASP A 24 -12.406 -0.880 2.553 1.00 0.00 O ATOM 326 OD2 ASP A 24 -13.767 -1.339 4.216 1.00 0.00 O ATOM 0 H ASP A 24 -10.941 -1.499 1.929 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.485 -4.144 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.465 -3.471 4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.086 -2.398 4.608 1.00 0.00 H new ATOM 331 N PRO A 25 -12.444 -5.464 2.203 1.00 0.00 N ATOM 332 CA PRO A 25 -13.421 -6.313 1.516 1.00 0.00 C ATOM 333 C PRO A 25 -14.858 -5.955 1.880 1.00 0.00 C ATOM 334 O PRO A 25 -15.802 -6.396 1.225 1.00 0.00 O ATOM 335 CB PRO A 25 -13.079 -7.721 2.013 1.00 0.00 C ATOM 336 CG PRO A 25 -12.426 -7.508 3.335 1.00 0.00 C ATOM 337 CD PRO A 25 -11.683 -6.205 3.224 1.00 0.00 C ATOM 0 HA PRO A 25 -13.366 -6.203 0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.974 -8.336 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.412 -8.234 1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.166 -7.468 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.746 -8.326 3.571 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.662 -5.672 4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.647 -6.358 2.921 1.00 0.00 H new ATOM 345 N GLU A 26 -15.016 -5.151 2.927 1.00 0.00 N ATOM 346 CA GLU A 26 -16.338 -4.734 3.377 1.00 0.00 C ATOM 347 C GLU A 26 -16.749 -3.421 2.717 1.00 0.00 C ATOM 348 O GLU A 26 -17.888 -2.975 2.852 1.00 0.00 O ATOM 349 CB GLU A 26 -16.359 -4.580 4.899 1.00 0.00 C ATOM 350 CG GLU A 26 -16.065 -5.871 5.646 1.00 0.00 C ATOM 351 CD GLU A 26 -16.575 -5.848 7.073 1.00 0.00 C ATOM 352 OE1 GLU A 26 -16.419 -4.807 7.744 1.00 0.00 O ATOM 353 OE2 GLU A 26 -17.132 -6.873 7.520 1.00 0.00 O ATOM 0 H GLU A 26 -14.245 -4.776 3.479 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.051 -5.506 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.626 -3.827 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.337 -4.208 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.521 -6.706 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.989 -6.046 5.651 1.00 0.00 H new ATOM 360 N HIS A 27 -15.811 -2.807 2.002 1.00 0.00 N ATOM 361 CA HIS A 27 -16.074 -1.545 1.320 1.00 0.00 C ATOM 362 C HIS A 27 -14.952 -1.212 0.341 1.00 0.00 C ATOM 363 O HIS A 27 -13.774 -1.377 0.654 1.00 0.00 O ATOM 364 CB HIS A 27 -16.231 -0.414 2.337 1.00 0.00 C ATOM 365 CG HIS A 27 -17.585 -0.365 2.974 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.755 -0.570 2.272 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.953 -0.134 4.256 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.783 -0.465 3.095 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.324 -0.201 4.305 1.00 0.00 N ATOM 0 H HIS A 27 -14.863 -3.163 1.880 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.003 -1.651 0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.476 -0.529 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.037 0.538 1.843 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.292 0.066 5.086 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.823 -0.576 2.824 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.895 -0.068 5.140 1.00 0.00 H new ATOM 378 N GLN A 28 -15.328 -0.745 -0.846 1.00 0.00 N ATOM 379 CA GLN A 28 -14.353 -0.392 -1.871 1.00 0.00 C ATOM 380 C GLN A 28 -14.006 1.092 -1.803 1.00 0.00 C ATOM 381 O GLN A 28 -13.445 1.652 -2.745 1.00 0.00 O ATOM 382 CB GLN A 28 -14.893 -0.739 -3.259 1.00 0.00 C ATOM 383 CG GLN A 28 -15.008 -2.233 -3.511 1.00 0.00 C ATOM 384 CD GLN A 28 -16.359 -2.790 -3.110 1.00 0.00 C ATOM 385 OE1 GLN A 28 -17.394 -2.377 -3.634 1.00 0.00 O ATOM 386 NE2 GLN A 28 -16.357 -3.734 -2.176 1.00 0.00 N ATOM 0 H GLN A 28 -16.300 -0.603 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.446 -0.967 -1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.875 -0.282 -3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.240 -0.301 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.836 -2.433 -4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.226 -2.752 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.476 -4.046 -1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.237 -4.147 -1.866 1.00 0.00 H new ATOM 395 N SER A 29 -14.344 1.723 -0.683 1.00 0.00 N ATOM 396 CA SER A 29 -14.072 3.144 -0.494 1.00 0.00 C ATOM 397 C SER A 29 -13.208 3.371 0.742 1.00 0.00 C ATOM 398 O SER A 29 -12.567 4.413 0.882 1.00 0.00 O ATOM 399 CB SER A 29 -15.382 3.923 -0.366 1.00 0.00 C ATOM 400 OG SER A 29 -16.221 3.699 -1.486 1.00 0.00 O ATOM 0 H SER A 29 -14.806 1.273 0.107 1.00 0.00 H new ATOM 0 HA SER A 29 -13.528 3.505 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.899 3.623 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.168 4.988 -0.275 1.00 0.00 H new ATOM 0 HG SER A 29 -17.052 4.207 -1.379 1.00 0.00 H new ATOM 406 N VAL A 30 -13.196 2.389 1.637 1.00 0.00 N ATOM 407 CA VAL A 30 -12.411 2.480 2.862 1.00 0.00 C ATOM 408 C VAL A 30 -10.990 1.974 2.643 1.00 0.00 C ATOM 409 O VAL A 30 -10.784 0.856 2.169 1.00 0.00 O ATOM 410 CB VAL A 30 -13.059 1.678 4.006 1.00 0.00 C ATOM 411 CG1 VAL A 30 -12.037 1.371 5.090 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.247 2.435 4.581 1.00 0.00 C ATOM 0 H VAL A 30 -13.721 1.521 1.537 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.380 3.534 3.140 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.420 0.732 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.514 0.804 5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.222 0.785 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.642 2.304 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.693 1.854 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.912 3.397 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.988 2.597 3.799 1.00 0.00 H new ATOM 422 N TYR A 31 -10.012 2.803 2.991 1.00 0.00 N ATOM 423 CA TYR A 31 -8.609 2.440 2.831 1.00 0.00 C ATOM 424 C TYR A 31 -7.944 2.222 4.186 1.00 0.00 C ATOM 425 O TYR A 31 -7.901 3.126 5.021 1.00 0.00 O ATOM 426 CB TYR A 31 -7.865 3.527 2.054 1.00 0.00 C ATOM 427 CG TYR A 31 -8.264 3.613 0.598 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.895 2.622 -0.303 1.00 0.00 C ATOM 429 CD2 TYR A 31 -9.012 4.684 0.124 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.257 2.696 -1.634 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.380 4.765 -1.205 1.00 0.00 C ATOM 432 CZ TYR A 31 -9.000 3.770 -2.080 1.00 0.00 C ATOM 433 OH TYR A 31 -9.364 3.847 -3.405 1.00 0.00 O ATOM 0 H TYR A 31 -10.165 3.731 3.386 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.564 1.506 2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.048 4.491 2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.793 3.338 2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.315 1.779 0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.311 5.466 0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.960 1.918 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.963 5.604 -1.557 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.885 4.664 -3.554 1.00 0.00 H new ATOM 443 N CYS A 32 -7.427 1.017 4.397 1.00 0.00 N ATOM 444 CA CYS A 32 -6.763 0.679 5.652 1.00 0.00 C ATOM 445 C CYS A 32 -5.292 0.351 5.417 1.00 0.00 C ATOM 446 O CYS A 32 -4.905 -0.072 4.328 1.00 0.00 O ATOM 447 CB CYS A 32 -7.462 -0.507 6.319 1.00 0.00 C ATOM 448 SG CYS A 32 -6.996 -0.762 8.047 1.00 0.00 S ATOM 0 H CYS A 32 -7.454 0.258 3.716 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.823 1.545 6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.540 -0.358 6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.236 -1.412 5.755 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.640 -1.786 8.524 1.00 0.00 H new ATOM 454 N VAL A 33 -4.476 0.550 6.447 1.00 0.00 N ATOM 455 CA VAL A 33 -3.047 0.277 6.354 1.00 0.00 C ATOM 456 C VAL A 33 -2.758 -1.209 6.538 1.00 0.00 C ATOM 457 O VAL A 33 -3.369 -1.872 7.377 1.00 0.00 O ATOM 458 CB VAL A 33 -2.252 1.077 7.403 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.791 0.808 8.800 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.771 0.740 7.320 1.00 0.00 C ATOM 0 H VAL A 33 -4.780 0.899 7.356 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.731 0.585 5.357 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.371 2.140 7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.217 1.382 9.528 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.839 1.104 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.704 -0.255 9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.225 1.314 8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.629 -0.325 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.396 0.989 6.327 1.00 0.00 H new ATOM 470 N LEU A 34 -1.823 -1.726 5.749 1.00 0.00 N ATOM 471 CA LEU A 34 -1.452 -3.135 5.825 1.00 0.00 C ATOM 472 C LEU A 34 0.061 -3.305 5.735 1.00 0.00 C ATOM 473 O LEU A 34 0.767 -2.431 5.231 1.00 0.00 O ATOM 474 CB LEU A 34 -2.133 -3.923 4.705 1.00 0.00 C ATOM 475 CG LEU A 34 -3.632 -3.679 4.528 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.039 -3.890 3.078 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.433 -4.589 5.447 1.00 0.00 C ATOM 0 H LEU A 34 -1.308 -1.191 5.050 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.786 -3.522 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.633 -3.686 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.978 -4.986 4.890 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.847 -2.645 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.109 -3.712 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.490 -3.196 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.810 -4.913 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.498 -4.401 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.214 -5.630 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.162 -4.389 6.484 1.00 0.00 H new ATOM 489 N THR A 35 0.555 -4.438 6.225 1.00 0.00 N ATOM 490 CA THR A 35 1.984 -4.724 6.199 1.00 0.00 C ATOM 491 C THR A 35 2.259 -6.098 5.599 1.00 0.00 C ATOM 492 O THR A 35 1.594 -7.078 5.936 1.00 0.00 O ATOM 493 CB THR A 35 2.595 -4.662 7.612 1.00 0.00 C ATOM 494 OG1 THR A 35 2.190 -3.455 8.268 1.00 0.00 O ATOM 495 CG2 THR A 35 4.113 -4.725 7.548 1.00 0.00 C ATOM 0 H THR A 35 -0.014 -5.173 6.645 1.00 0.00 H new ATOM 0 HA THR A 35 2.448 -3.959 5.576 1.00 0.00 H new ATOM 0 HB THR A 35 2.235 -5.521 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.581 -3.424 9.166 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.522 -4.680 8.557 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.419 -5.658 7.074 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.488 -3.883 6.966 1.00 0.00 H new ATOM 503 N VAL A 36 3.243 -6.164 4.708 1.00 0.00 N ATOM 504 CA VAL A 36 3.607 -7.419 4.062 1.00 0.00 C ATOM 505 C VAL A 36 3.859 -8.514 5.092 1.00 0.00 C ATOM 506 O VAL A 36 4.724 -8.381 5.957 1.00 0.00 O ATOM 507 CB VAL A 36 4.863 -7.255 3.186 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.037 -8.458 2.271 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.785 -5.968 2.379 1.00 0.00 C ATOM 0 H VAL A 36 3.803 -5.362 4.417 1.00 0.00 H new ATOM 0 HA VAL A 36 2.767 -7.705 3.430 1.00 0.00 H new ATOM 0 HB VAL A 36 5.734 -7.196 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.929 -8.324 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.141 -9.361 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.165 -8.552 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.681 -5.868 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.906 -5.995 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.713 -5.117 3.057 1.00 0.00 H new ATOM 519 N ALA A 37 3.096 -9.598 4.993 1.00 0.00 N ATOM 520 CA ALA A 37 3.238 -10.719 5.915 1.00 0.00 C ATOM 521 C ALA A 37 3.854 -11.927 5.219 1.00 0.00 C ATOM 522 O ALA A 37 4.345 -12.847 5.872 1.00 0.00 O ATOM 523 CB ALA A 37 1.888 -11.084 6.514 1.00 0.00 C ATOM 0 H ALA A 37 2.374 -9.724 4.284 1.00 0.00 H new ATOM 0 HA ALA A 37 3.909 -10.414 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.009 -11.922 7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.486 -10.227 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.200 -11.364 5.716 1.00 0.00 H new ATOM 529 N GLU A 38 3.824 -11.918 3.890 1.00 0.00 N ATOM 530 CA GLU A 38 4.379 -13.016 3.106 1.00 0.00 C ATOM 531 C GLU A 38 4.384 -12.674 1.619 1.00 0.00 C ATOM 532 O GLU A 38 3.603 -11.841 1.159 1.00 0.00 O ATOM 533 CB GLU A 38 3.578 -14.298 3.344 1.00 0.00 C ATOM 534 CG GLU A 38 4.388 -15.567 3.145 1.00 0.00 C ATOM 535 CD GLU A 38 3.790 -16.760 3.865 1.00 0.00 C ATOM 536 OE1 GLU A 38 3.925 -16.833 5.105 1.00 0.00 O ATOM 537 OE2 GLU A 38 3.187 -17.620 3.190 1.00 0.00 O ATOM 0 H GLU A 38 3.422 -11.163 3.334 1.00 0.00 H new ATOM 0 HA GLU A 38 5.408 -13.175 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.182 -14.286 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.723 -14.313 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.456 -15.787 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.405 -15.404 3.502 1.00 0.00 H new ATOM 544 N VAL A 39 5.271 -13.324 0.872 1.00 0.00 N ATOM 545 CA VAL A 39 5.378 -13.091 -0.563 1.00 0.00 C ATOM 546 C VAL A 39 5.511 -14.405 -1.325 1.00 0.00 C ATOM 547 O VAL A 39 6.273 -15.288 -0.931 1.00 0.00 O ATOM 548 CB VAL A 39 6.584 -12.193 -0.897 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.630 -11.893 -2.388 1.00 0.00 C ATOM 550 CG2 VAL A 39 6.530 -10.906 -0.088 1.00 0.00 C ATOM 0 H VAL A 39 5.926 -14.016 1.237 1.00 0.00 H new ATOM 0 HA VAL A 39 4.462 -12.587 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 39 7.496 -12.726 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.489 -11.257 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.719 -12.826 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.715 -11.380 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.390 -10.284 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.612 -10.367 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.550 -11.144 0.976 1.00 0.00 H new ATOM 560 N CYS A 40 4.765 -14.526 -2.418 1.00 0.00 N ATOM 561 CA CYS A 40 4.799 -15.733 -3.236 1.00 0.00 C ATOM 562 C CYS A 40 3.993 -15.544 -4.517 1.00 0.00 C ATOM 563 O CYS A 40 3.118 -14.683 -4.591 1.00 0.00 O ATOM 564 CB CYS A 40 4.253 -16.925 -2.447 1.00 0.00 C ATOM 565 SG CYS A 40 4.822 -18.532 -3.050 1.00 0.00 S ATOM 0 H CYS A 40 4.130 -13.804 -2.758 1.00 0.00 H new ATOM 0 HA CYS A 40 5.836 -15.930 -3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.542 -16.818 -1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.164 -16.901 -2.481 1.00 0.00 H new ATOM 0 HG CYS A 40 4.309 -19.476 -2.319 1.00 0.00 H new ATOM 571 N GLY A 41 4.297 -16.355 -5.527 1.00 0.00 N ATOM 572 CA GLY A 41 3.594 -16.259 -6.792 1.00 0.00 C ATOM 573 C GLY A 41 3.370 -14.824 -7.224 1.00 0.00 C ATOM 574 O GLY A 41 4.117 -13.927 -6.834 1.00 0.00 O ATOM 0 H GLY A 41 5.017 -17.076 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.163 -16.782 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.632 -16.764 -6.709 1.00 0.00 H new ATOM 578 N TYR A 42 2.339 -14.605 -8.033 1.00 0.00 N ATOM 579 CA TYR A 42 2.021 -13.269 -8.522 1.00 0.00 C ATOM 580 C TYR A 42 1.085 -12.545 -7.559 1.00 0.00 C ATOM 581 O TYR A 42 0.209 -11.788 -7.979 1.00 0.00 O ATOM 582 CB TYR A 42 1.381 -13.350 -9.909 1.00 0.00 C ATOM 583 CG TYR A 42 1.661 -12.143 -10.776 1.00 0.00 C ATOM 584 CD1 TYR A 42 0.822 -11.036 -10.752 1.00 0.00 C ATOM 585 CD2 TYR A 42 2.766 -12.109 -11.618 1.00 0.00 C ATOM 586 CE1 TYR A 42 1.073 -9.932 -11.543 1.00 0.00 C ATOM 587 CE2 TYR A 42 3.026 -11.008 -12.412 1.00 0.00 C ATOM 588 CZ TYR A 42 2.176 -9.922 -12.371 1.00 0.00 C ATOM 589 OH TYR A 42 2.431 -8.824 -13.159 1.00 0.00 O ATOM 0 H TYR A 42 1.709 -15.336 -8.364 1.00 0.00 H new ATOM 0 HA TYR A 42 2.950 -12.704 -8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.745 -14.244 -10.416 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.303 -13.464 -9.796 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.042 -11.039 -10.103 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.433 -12.958 -11.653 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.409 -9.081 -11.513 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.889 -10.998 -13.061 1.00 0.00 H new ATOM 0 HH TYR A 42 3.246 -8.978 -13.681 1.00 0.00 H new ATOM 599 N ARG A 43 1.277 -12.783 -6.266 1.00 0.00 N ATOM 600 CA ARG A 43 0.451 -12.155 -5.243 1.00 0.00 C ATOM 601 C ARG A 43 1.271 -11.853 -3.992 1.00 0.00 C ATOM 602 O ARG A 43 2.416 -12.287 -3.869 1.00 0.00 O ATOM 603 CB ARG A 43 -0.730 -13.060 -4.885 1.00 0.00 C ATOM 604 CG ARG A 43 -1.916 -12.914 -5.825 1.00 0.00 C ATOM 605 CD ARG A 43 -3.052 -13.848 -5.437 1.00 0.00 C ATOM 606 NE ARG A 43 -4.162 -13.782 -6.384 1.00 0.00 N ATOM 607 CZ ARG A 43 -4.159 -14.392 -7.564 1.00 0.00 C ATOM 608 NH1 ARG A 43 -3.110 -15.111 -7.939 1.00 0.00 N ATOM 609 NH2 ARG A 43 -5.207 -14.284 -8.370 1.00 0.00 N ATOM 0 H ARG A 43 1.998 -13.406 -5.902 1.00 0.00 H new ATOM 0 HA ARG A 43 0.072 -11.215 -5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.397 -14.098 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.053 -12.836 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.270 -11.883 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.601 -13.127 -6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.679 -14.871 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.410 -13.589 -4.440 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.985 -13.238 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.303 -15.197 -7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.110 -15.579 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.016 -13.732 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.204 -14.753 -9.276 1.00 0.00 H new ATOM 623 N ILE A 44 0.677 -11.105 -3.068 1.00 0.00 N ATOM 624 CA ILE A 44 1.352 -10.745 -1.827 1.00 0.00 C ATOM 625 C ILE A 44 0.403 -10.838 -0.638 1.00 0.00 C ATOM 626 O ILE A 44 -0.795 -10.584 -0.763 1.00 0.00 O ATOM 627 CB ILE A 44 1.933 -9.320 -1.896 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.850 -8.324 -2.314 1.00 0.00 C ATOM 629 CG2 ILE A 44 3.107 -9.272 -2.862 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.235 -6.879 -2.083 1.00 0.00 C ATOM 0 H ILE A 44 -0.270 -10.737 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 44 2.168 -11.456 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 44 2.293 -9.042 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.625 -8.467 -3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.064 -8.541 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.506 -8.258 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.885 -9.956 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.772 -9.567 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.420 -6.230 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.432 -6.720 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.131 -6.645 -2.657 1.00 0.00 H new ATOM 642 N LYS A 45 0.947 -11.204 0.518 1.00 0.00 N ATOM 643 CA LYS A 45 0.150 -11.328 1.733 1.00 0.00 C ATOM 644 C LYS A 45 -0.033 -9.971 2.405 1.00 0.00 C ATOM 645 O LYS A 45 0.938 -9.261 2.669 1.00 0.00 O ATOM 646 CB LYS A 45 0.815 -12.305 2.706 1.00 0.00 C ATOM 647 CG LYS A 45 -0.112 -12.797 3.803 1.00 0.00 C ATOM 648 CD LYS A 45 0.406 -14.076 4.439 1.00 0.00 C ATOM 649 CE LYS A 45 -0.700 -14.824 5.168 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.183 -16.030 5.873 1.00 0.00 N ATOM 0 H LYS A 45 1.937 -11.420 0.639 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.832 -11.712 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.190 -13.162 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.678 -11.820 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.215 -12.026 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.106 -12.971 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.835 -14.718 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.207 -13.837 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.175 -14.158 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.468 -15.122 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.967 -16.512 6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.248 -16.678 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.532 -15.744 6.572 1.00 0.00 H new ATOM 664 N LEU A 46 -1.283 -9.617 2.681 1.00 0.00 N ATOM 665 CA LEU A 46 -1.594 -8.345 3.324 1.00 0.00 C ATOM 666 C LEU A 46 -2.136 -8.565 4.733 1.00 0.00 C ATOM 667 O LEU A 46 -3.125 -9.274 4.925 1.00 0.00 O ATOM 668 CB LEU A 46 -2.611 -7.564 2.490 1.00 0.00 C ATOM 669 CG LEU A 46 -2.054 -6.819 1.277 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.127 -5.697 1.719 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.326 -7.780 0.349 1.00 0.00 C ATOM 0 H LEU A 46 -2.098 -10.193 2.470 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.672 -7.768 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.377 -8.258 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.105 -6.841 3.140 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.888 -6.379 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.740 -5.178 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.679 -4.994 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.297 -6.114 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.936 -7.232 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.501 -8.249 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.018 -8.548 0.005 1.00 0.00 H new ATOM 683 N HIS A 47 -1.484 -7.952 5.715 1.00 0.00 N ATOM 684 CA HIS A 47 -1.903 -8.078 7.107 1.00 0.00 C ATOM 685 C HIS A 47 -2.514 -6.775 7.611 1.00 0.00 C ATOM 686 O HIS A 47 -2.160 -5.691 7.148 1.00 0.00 O ATOM 687 CB HIS A 47 -0.714 -8.471 7.985 1.00 0.00 C ATOM 688 CG HIS A 47 -0.967 -8.291 9.450 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.690 -9.191 10.205 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.587 -7.309 10.301 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.745 -8.769 11.456 1.00 0.00 C ATOM 692 NE2 HIS A 47 -1.084 -7.629 11.540 1.00 0.00 N ATOM 0 H HIS A 47 -0.663 -7.363 5.573 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.661 -8.859 7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.460 -9.514 7.794 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.152 -7.875 7.698 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.002 -6.436 10.052 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.245 -9.271 12.271 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.962 -7.076 12.388 1.00 0.00 H new ATOM 701 N PHE A 48 -3.435 -6.888 8.562 1.00 0.00 N ATOM 702 CA PHE A 48 -4.098 -5.719 9.128 1.00 0.00 C ATOM 703 C PHE A 48 -3.411 -5.274 10.416 1.00 0.00 C ATOM 704 O PHE A 48 -3.548 -5.915 11.459 1.00 0.00 O ATOM 705 CB PHE A 48 -5.572 -6.024 9.402 1.00 0.00 C ATOM 706 CG PHE A 48 -6.460 -5.807 8.211 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.717 -4.527 7.746 1.00 0.00 C ATOM 708 CD2 PHE A 48 -7.038 -6.882 7.556 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.535 -4.325 6.651 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.857 -6.686 6.460 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.105 -5.405 6.006 1.00 0.00 C ATOM 0 H PHE A 48 -3.739 -7.778 8.957 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.031 -4.908 8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.666 -7.059 9.731 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.918 -5.396 10.223 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.273 -3.678 8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.846 -7.886 7.906 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.729 -3.322 6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.302 -7.533 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.743 -5.249 5.149 1.00 0.00 H new ATOM 721 N ASP A 49 -2.671 -4.174 10.336 1.00 0.00 N ATOM 722 CA ASP A 49 -1.962 -3.643 11.494 1.00 0.00 C ATOM 723 C ASP A 49 -2.879 -3.584 12.712 1.00 0.00 C ATOM 724 O ASP A 49 -3.855 -2.835 12.733 1.00 0.00 O ATOM 725 CB ASP A 49 -1.412 -2.249 11.187 1.00 0.00 C ATOM 726 CG ASP A 49 -0.757 -1.606 12.394 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.082 -2.328 13.158 1.00 0.00 O ATOM 728 OD2 ASP A 49 -0.918 -0.381 12.574 1.00 0.00 O ATOM 0 H ASP A 49 -2.546 -3.632 9.481 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.131 -4.312 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.686 -2.318 10.377 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.223 -1.611 10.834 1.00 0.00 H new ATOM 733 N GLY A 50 -2.559 -4.382 13.727 1.00 0.00 N ATOM 734 CA GLY A 50 -3.364 -4.406 14.934 1.00 0.00 C ATOM 735 C GLY A 50 -4.260 -5.626 15.008 1.00 0.00 C ATOM 736 O GLY A 50 -4.452 -6.201 16.080 1.00 0.00 O ATOM 0 H GLY A 50 -1.757 -5.012 13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.709 -4.387 15.805 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.977 -3.506 14.976 1.00 0.00 H new ATOM 740 N TYR A 51 -4.813 -6.023 13.867 1.00 0.00 N ATOM 741 CA TYR A 51 -5.697 -7.180 13.808 1.00 0.00 C ATOM 742 C TYR A 51 -4.898 -8.479 13.825 1.00 0.00 C ATOM 743 O TYR A 51 -3.669 -8.464 13.892 1.00 0.00 O ATOM 744 CB TYR A 51 -6.566 -7.120 12.550 1.00 0.00 C ATOM 745 CG TYR A 51 -7.592 -6.009 12.575 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.242 -4.706 12.243 1.00 0.00 C ATOM 747 CD2 TYR A 51 -8.911 -6.263 12.929 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.175 -3.688 12.265 1.00 0.00 C ATOM 749 CE2 TYR A 51 -9.852 -5.252 12.952 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.479 -3.966 12.620 1.00 0.00 C ATOM 751 OH TYR A 51 -10.412 -2.955 12.642 1.00 0.00 O ATOM 0 H TYR A 51 -4.664 -5.560 12.970 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.340 -7.159 14.688 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.922 -6.989 11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.079 -8.074 12.427 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.223 -4.485 11.963 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.206 -7.268 13.191 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.886 -2.680 12.006 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.874 -5.467 13.228 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.281 -3.318 12.912 1.00 0.00 H new ATOM 761 N SER A 52 -5.605 -9.603 13.764 1.00 0.00 N ATOM 762 CA SER A 52 -4.963 -10.912 13.777 1.00 0.00 C ATOM 763 C SER A 52 -4.546 -11.326 12.369 1.00 0.00 C ATOM 764 O SER A 52 -5.139 -10.891 11.381 1.00 0.00 O ATOM 765 CB SER A 52 -5.905 -11.960 14.370 1.00 0.00 C ATOM 766 OG SER A 52 -5.221 -13.174 14.627 1.00 0.00 O ATOM 0 H SER A 52 -6.623 -9.633 13.705 1.00 0.00 H new ATOM 0 HA SER A 52 -4.069 -10.845 14.398 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.339 -11.581 15.295 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.730 -12.143 13.682 1.00 0.00 H new ATOM 0 HG SER A 52 -5.641 -13.900 14.120 1.00 0.00 H new ATOM 772 N ASP A 53 -3.522 -12.168 12.285 1.00 0.00 N ATOM 773 CA ASP A 53 -3.025 -12.642 10.999 1.00 0.00 C ATOM 774 C ASP A 53 -4.112 -13.400 10.243 1.00 0.00 C ATOM 775 O ASP A 53 -4.315 -13.186 9.047 1.00 0.00 O ATOM 776 CB ASP A 53 -1.804 -13.541 11.200 1.00 0.00 C ATOM 777 CG ASP A 53 -0.535 -12.749 11.445 1.00 0.00 C ATOM 778 OD1 ASP A 53 -0.318 -11.743 10.737 1.00 0.00 O ATOM 779 OD2 ASP A 53 0.240 -13.134 12.345 1.00 0.00 O ATOM 0 H ASP A 53 -3.020 -12.536 13.093 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.734 -11.774 10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.982 -14.207 12.045 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.671 -14.171 10.320 1.00 0.00 H new ATOM 784 N CYS A 54 -4.806 -14.288 10.946 1.00 0.00 N ATOM 785 CA CYS A 54 -5.871 -15.079 10.341 1.00 0.00 C ATOM 786 C CYS A 54 -6.732 -14.219 9.422 1.00 0.00 C ATOM 787 O CYS A 54 -7.310 -14.714 8.454 1.00 0.00 O ATOM 788 CB CYS A 54 -6.740 -15.718 11.426 1.00 0.00 C ATOM 789 SG CYS A 54 -7.537 -14.527 12.528 1.00 0.00 S ATOM 0 H CYS A 54 -4.650 -14.478 11.936 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.411 -15.867 9.745 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.508 -16.327 10.950 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.123 -16.391 12.021 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.161 -13.632 11.821 1.00 0.00 H new ATOM 795 N TYR A 55 -6.816 -12.931 9.734 1.00 0.00 N ATOM 796 CA TYR A 55 -7.611 -12.003 8.939 1.00 0.00 C ATOM 797 C TYR A 55 -6.766 -11.362 7.842 1.00 0.00 C ATOM 798 O TYR A 55 -6.934 -10.186 7.520 1.00 0.00 O ATOM 799 CB TYR A 55 -8.213 -10.917 9.834 1.00 0.00 C ATOM 800 CG TYR A 55 -9.041 -11.464 10.975 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.068 -12.370 10.742 1.00 0.00 C ATOM 802 CD2 TYR A 55 -8.796 -11.074 12.286 1.00 0.00 C ATOM 803 CE1 TYR A 55 -10.828 -12.871 11.781 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.549 -11.571 13.331 1.00 0.00 C ATOM 805 CZ TYR A 55 -10.565 -12.469 13.074 1.00 0.00 C ATOM 806 OH TYR A 55 -11.318 -12.967 14.112 1.00 0.00 O ATOM 0 H TYR A 55 -6.343 -12.506 10.532 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.417 -12.566 8.469 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.408 -10.305 10.241 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.836 -10.261 9.226 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.276 -12.688 9.731 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.003 -10.370 12.491 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.624 -13.574 11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.344 -11.259 14.344 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.003 -12.584 14.957 1.00 0.00 H new ATOM 816 N ASP A 56 -5.857 -12.146 7.272 1.00 0.00 N ATOM 817 CA ASP A 56 -4.986 -11.657 6.209 1.00 0.00 C ATOM 818 C ASP A 56 -5.446 -12.172 4.849 1.00 0.00 C ATOM 819 O ASP A 56 -5.876 -13.318 4.720 1.00 0.00 O ATOM 820 CB ASP A 56 -3.541 -12.087 6.468 1.00 0.00 C ATOM 821 CG ASP A 56 -2.889 -11.286 7.578 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.609 -10.541 8.274 1.00 0.00 O ATOM 823 OD2 ASP A 56 -1.658 -11.406 7.752 1.00 0.00 O ATOM 0 H ASP A 56 -5.704 -13.122 7.528 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.038 -10.568 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.521 -13.145 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.961 -11.972 5.552 1.00 0.00 H new ATOM 828 N PHE A 57 -5.355 -11.316 3.837 1.00 0.00 N ATOM 829 CA PHE A 57 -5.764 -11.683 2.486 1.00 0.00 C ATOM 830 C PHE A 57 -4.674 -11.340 1.475 1.00 0.00 C ATOM 831 O PHE A 57 -3.872 -10.432 1.695 1.00 0.00 O ATOM 832 CB PHE A 57 -7.065 -10.968 2.112 1.00 0.00 C ATOM 833 CG PHE A 57 -6.986 -9.474 2.244 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.140 -8.737 1.432 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.759 -8.806 3.181 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.065 -7.361 1.550 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.690 -7.431 3.303 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.841 -6.708 2.488 1.00 0.00 C ATOM 0 H PHE A 57 -5.002 -10.363 3.927 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.930 -12.760 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.327 -11.221 1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.870 -11.339 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.531 -9.243 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.423 -9.366 3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.401 -6.798 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.300 -6.922 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.784 -5.634 2.584 1.00 0.00 H new ATOM 848 N TRP A 58 -4.650 -12.073 0.368 1.00 0.00 N ATOM 849 CA TRP A 58 -3.658 -11.848 -0.677 1.00 0.00 C ATOM 850 C TRP A 58 -4.235 -10.993 -1.800 1.00 0.00 C ATOM 851 O TRP A 58 -5.310 -11.282 -2.324 1.00 0.00 O ATOM 852 CB TRP A 58 -3.166 -13.183 -1.237 1.00 0.00 C ATOM 853 CG TRP A 58 -2.399 -13.999 -0.241 1.00 0.00 C ATOM 854 CD1 TRP A 58 -2.866 -14.499 0.941 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.031 -14.408 -0.339 1.00 0.00 C ATOM 856 NE1 TRP A 58 -1.870 -15.194 1.584 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.735 -15.154 0.819 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.028 -14.219 -1.294 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.523 -15.707 1.046 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.220 -14.769 -1.067 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.486 -15.506 0.095 1.00 0.00 C ATOM 0 H TRP A 58 -5.306 -12.828 0.171 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.816 -11.315 -0.236 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.022 -13.760 -1.586 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.534 -12.994 -2.105 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.870 -14.368 1.315 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.961 -15.663 2.485 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.224 -13.654 -2.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.731 -16.274 1.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.003 -14.628 -1.797 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.471 -15.924 0.243 1.00 0.00 H new ATOM 872 N VAL A 59 -3.513 -9.938 -2.165 1.00 0.00 N ATOM 873 CA VAL A 59 -3.953 -9.041 -3.227 1.00 0.00 C ATOM 874 C VAL A 59 -3.121 -9.235 -4.490 1.00 0.00 C ATOM 875 O VAL A 59 -2.129 -9.963 -4.486 1.00 0.00 O ATOM 876 CB VAL A 59 -3.865 -7.567 -2.790 1.00 0.00 C ATOM 877 CG1 VAL A 59 -4.559 -7.365 -1.451 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.414 -7.118 -2.720 1.00 0.00 C ATOM 0 H VAL A 59 -2.621 -9.684 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.993 -9.288 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.375 -6.955 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.487 -6.318 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.609 -7.646 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.079 -7.987 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.371 -6.074 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.877 -7.734 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.953 -7.224 -3.702 1.00 0.00 H new ATOM 888 N ASN A 60 -3.533 -8.579 -5.570 1.00 0.00 N ATOM 889 CA ASN A 60 -2.825 -8.680 -6.841 1.00 0.00 C ATOM 890 C ASN A 60 -1.556 -7.833 -6.826 1.00 0.00 C ATOM 891 O ASN A 60 -1.607 -6.624 -6.602 1.00 0.00 O ATOM 892 CB ASN A 60 -3.733 -8.237 -7.990 1.00 0.00 C ATOM 893 CG ASN A 60 -5.075 -8.943 -7.972 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.946 -8.625 -7.162 1.00 0.00 O ATOM 895 ND2 ASN A 60 -5.248 -9.908 -8.868 1.00 0.00 N ATOM 0 H ASN A 60 -4.353 -7.972 -5.590 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.543 -9.722 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.891 -7.160 -7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.235 -8.433 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.130 -10.419 -8.904 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.499 -10.138 -9.521 1.00 0.00 H new ATOM 902 N ALA A 61 -0.419 -8.477 -7.066 1.00 0.00 N ATOM 903 CA ALA A 61 0.863 -7.783 -7.082 1.00 0.00 C ATOM 904 C ALA A 61 0.776 -6.487 -7.881 1.00 0.00 C ATOM 905 O ALA A 61 1.516 -5.538 -7.624 1.00 0.00 O ATOM 906 CB ALA A 61 1.945 -8.687 -7.656 1.00 0.00 C ATOM 0 H ALA A 61 -0.359 -9.478 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 61 1.123 -7.529 -6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.897 -8.156 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.033 -9.584 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.680 -8.969 -8.675 1.00 0.00 H new ATOM 912 N ASP A 62 -0.132 -6.455 -8.850 1.00 0.00 N ATOM 913 CA ASP A 62 -0.317 -5.274 -9.686 1.00 0.00 C ATOM 914 C ASP A 62 -1.728 -4.717 -9.535 1.00 0.00 C ATOM 915 O ASP A 62 -2.376 -4.364 -10.520 1.00 0.00 O ATOM 916 CB ASP A 62 -0.043 -5.614 -11.152 1.00 0.00 C ATOM 917 CG ASP A 62 -1.202 -6.343 -11.803 1.00 0.00 C ATOM 918 OD1 ASP A 62 -1.474 -7.496 -11.410 1.00 0.00 O ATOM 919 OD2 ASP A 62 -1.837 -5.760 -12.707 1.00 0.00 O ATOM 0 H ASP A 62 -0.752 -7.233 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 62 0.391 -4.512 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.161 -4.696 -11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.853 -6.231 -11.218 1.00 0.00 H new ATOM 924 N ALA A 63 -2.200 -4.640 -8.294 1.00 0.00 N ATOM 925 CA ALA A 63 -3.534 -4.125 -8.014 1.00 0.00 C ATOM 926 C ALA A 63 -3.561 -2.602 -8.091 1.00 0.00 C ATOM 927 O ALA A 63 -2.520 -1.948 -8.023 1.00 0.00 O ATOM 928 CB ALA A 63 -4.005 -4.595 -6.646 1.00 0.00 C ATOM 0 H ALA A 63 -1.677 -4.928 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.214 -4.513 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.003 -4.203 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.033 -5.684 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.317 -4.235 -5.881 1.00 0.00 H new ATOM 934 N LEU A 64 -4.758 -2.043 -8.234 1.00 0.00 N ATOM 935 CA LEU A 64 -4.921 -0.596 -8.321 1.00 0.00 C ATOM 936 C LEU A 64 -5.325 -0.011 -6.972 1.00 0.00 C ATOM 937 O LEU A 64 -4.899 1.084 -6.606 1.00 0.00 O ATOM 938 CB LEU A 64 -5.970 -0.244 -9.377 1.00 0.00 C ATOM 939 CG LEU A 64 -5.721 -0.796 -10.781 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.943 -0.586 -11.662 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.495 -0.143 -11.402 1.00 0.00 C ATOM 0 H LEU A 64 -5.630 -2.570 -8.292 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.963 -0.164 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.939 -0.606 -9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.040 0.842 -9.442 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.536 -1.867 -10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.747 -0.985 -12.657 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.799 -1.102 -11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.160 0.480 -11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.334 -0.548 -12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.650 0.934 -11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.621 -0.346 -10.782 1.00 0.00 H new ATOM 953 N ASP A 65 -6.148 -0.750 -6.235 1.00 0.00 N ATOM 954 CA ASP A 65 -6.607 -0.307 -4.924 1.00 0.00 C ATOM 955 C ASP A 65 -5.427 -0.068 -3.987 1.00 0.00 C ATOM 956 O ASP A 65 -5.395 0.921 -3.254 1.00 0.00 O ATOM 957 CB ASP A 65 -7.556 -1.341 -4.316 1.00 0.00 C ATOM 958 CG ASP A 65 -7.074 -2.763 -4.526 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.277 -3.301 -5.635 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.492 -3.338 -3.582 1.00 0.00 O ATOM 0 H ASP A 65 -6.511 -1.659 -6.524 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.142 0.634 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.661 -1.150 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.545 -1.227 -4.759 1.00 0.00 H new ATOM 965 N ILE A 66 -4.461 -0.979 -4.017 1.00 0.00 N ATOM 966 CA ILE A 66 -3.280 -0.867 -3.170 1.00 0.00 C ATOM 967 C ILE A 66 -2.398 0.298 -3.609 1.00 0.00 C ATOM 968 O ILE A 66 -2.235 0.552 -4.802 1.00 0.00 O ATOM 969 CB ILE A 66 -2.447 -2.162 -3.190 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.851 -2.390 -4.581 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.304 -3.349 -2.774 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.874 -3.543 -4.639 1.00 0.00 C ATOM 0 H ILE A 66 -4.473 -1.803 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.635 -0.689 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.629 -2.061 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.660 -2.574 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.346 -1.480 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.702 -4.257 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.685 -3.187 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.140 -3.454 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.492 -3.646 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.045 -3.352 -3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.380 -4.463 -4.347 1.00 0.00 H new ATOM 984 N HIS A 67 -1.830 1.002 -2.635 1.00 0.00 N ATOM 985 CA HIS A 67 -0.962 2.139 -2.920 1.00 0.00 C ATOM 986 C HIS A 67 0.097 2.300 -1.833 1.00 0.00 C ATOM 987 O HIS A 67 -0.086 1.887 -0.688 1.00 0.00 O ATOM 988 CB HIS A 67 -1.787 3.420 -3.039 1.00 0.00 C ATOM 989 CG HIS A 67 -2.638 3.472 -4.270 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.136 3.768 -5.520 1.00 0.00 N ATOM 991 CD2 HIS A 67 -3.965 3.263 -4.439 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.118 3.739 -6.404 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.238 3.435 -5.774 1.00 0.00 N ATOM 0 H HIS A 67 -1.955 0.805 -1.642 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.458 1.951 -3.868 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.426 3.514 -2.161 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.114 4.277 -3.036 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.677 3.008 -3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.021 3.931 -7.462 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.156 3.343 -6.208 1.00 0.00 H new ATOM 1002 N PRO A 68 1.231 2.916 -2.198 1.00 0.00 N ATOM 1003 CA PRO A 68 2.341 3.146 -1.268 1.00 0.00 C ATOM 1004 C PRO A 68 2.002 4.187 -0.207 1.00 0.00 C ATOM 1005 O PRO A 68 1.086 4.990 -0.381 1.00 0.00 O ATOM 1006 CB PRO A 68 3.465 3.653 -2.176 1.00 0.00 C ATOM 1007 CG PRO A 68 2.765 4.252 -3.347 1.00 0.00 C ATOM 1008 CD PRO A 68 1.518 3.435 -3.546 1.00 0.00 C ATOM 0 HA PRO A 68 2.599 2.246 -0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.084 4.390 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.124 2.840 -2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.521 5.298 -3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.396 4.224 -4.235 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.696 4.042 -3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.676 2.628 -4.262 1.00 0.00 H new ATOM 1016 N VAL A 69 2.748 4.169 0.893 1.00 0.00 N ATOM 1017 CA VAL A 69 2.527 5.113 1.982 1.00 0.00 C ATOM 1018 C VAL A 69 2.426 6.541 1.459 1.00 0.00 C ATOM 1019 O VAL A 69 3.041 6.890 0.453 1.00 0.00 O ATOM 1020 CB VAL A 69 3.657 5.039 3.027 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.373 5.978 4.188 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.837 3.610 3.517 1.00 0.00 C ATOM 0 H VAL A 69 3.511 3.511 1.054 1.00 0.00 H new ATOM 0 HA VAL A 69 1.585 4.835 2.456 1.00 0.00 H new ATOM 0 HB VAL A 69 4.587 5.356 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.182 5.912 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.300 7.001 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.434 5.695 4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.639 3.577 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.910 3.262 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.091 2.966 2.675 1.00 0.00 H new ATOM 1032 N GLY A 70 1.645 7.365 2.152 1.00 0.00 N ATOM 1033 CA GLY A 70 1.477 8.747 1.742 1.00 0.00 C ATOM 1034 C GLY A 70 0.786 8.874 0.399 1.00 0.00 C ATOM 1035 O GLY A 70 1.091 9.776 -0.381 1.00 0.00 O ATOM 0 H GLY A 70 1.126 7.100 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.898 9.279 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.453 9.229 1.692 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.146 7.967 0.127 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.881 7.981 -1.133 1.00 0.00 C ATOM 1041 C TRP A 71 -2.204 8.724 -0.983 1.00 0.00 C ATOM 1042 O TRP A 71 -2.484 9.667 -1.723 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.136 6.551 -1.614 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.025 6.480 -2.818 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.637 6.515 -4.127 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.452 6.362 -2.824 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.736 6.427 -4.946 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.862 6.331 -4.171 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.423 6.278 -1.823 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.200 6.221 -4.540 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.751 6.169 -2.190 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.129 6.141 -3.539 1.00 0.00 C ATOM 0 H TRP A 71 -0.410 7.213 0.761 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.275 8.503 -1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.182 6.078 -1.847 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.587 5.978 -0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.616 6.599 -4.468 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.717 6.432 -5.966 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.141 6.298 -0.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.494 6.200 -5.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.510 6.104 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.175 6.055 -3.794 1.00 0.00 H new ATOM 1063 N CYS A 72 -3.014 8.293 -0.022 1.00 0.00 N ATOM 1064 CA CYS A 72 -4.309 8.917 0.224 1.00 0.00 C ATOM 1065 C CYS A 72 -4.214 10.434 0.093 1.00 0.00 C ATOM 1066 O CYS A 72 -4.937 11.044 -0.694 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.822 8.544 1.615 1.00 0.00 C ATOM 1068 SG CYS A 72 -5.647 6.937 1.691 1.00 0.00 S ATOM 0 H CYS A 72 -2.797 7.514 0.599 1.00 0.00 H new ATOM 0 HA CYS A 72 -5.011 8.549 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.984 8.543 2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -5.516 9.313 1.953 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.610 6.374 0.520 1.00 0.00 H new ATOM 1074 N GLU A 73 -3.320 11.035 0.871 1.00 0.00 N ATOM 1075 CA GLU A 73 -3.133 12.481 0.843 1.00 0.00 C ATOM 1076 C GLU A 73 -2.754 12.954 -0.558 1.00 0.00 C ATOM 1077 O GLU A 73 -3.250 13.974 -1.037 1.00 0.00 O ATOM 1078 CB GLU A 73 -2.053 12.898 1.843 1.00 0.00 C ATOM 1079 CG GLU A 73 -2.593 13.194 3.232 1.00 0.00 C ATOM 1080 CD GLU A 73 -2.622 11.966 4.121 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -3.430 11.054 3.845 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -1.838 11.916 5.092 1.00 0.00 O ATOM 0 H GLU A 73 -2.714 10.544 1.528 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.077 12.949 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.308 12.105 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.541 13.783 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.978 13.963 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.601 13.600 3.147 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.871 12.206 -1.210 1.00 0.00 N ATOM 1090 CA LYS A 74 -1.424 12.545 -2.555 1.00 0.00 C ATOM 1091 C LYS A 74 -2.612 12.849 -3.463 1.00 0.00 C ATOM 1092 O LYS A 74 -2.715 13.940 -4.025 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.598 11.400 -3.145 1.00 0.00 C ATOM 1094 CG LYS A 74 0.105 11.762 -4.442 1.00 0.00 C ATOM 1095 CD LYS A 74 -0.775 11.486 -5.649 1.00 0.00 C ATOM 1096 CE LYS A 74 -0.080 11.876 -6.945 1.00 0.00 C ATOM 1097 NZ LYS A 74 -0.638 11.143 -8.115 1.00 0.00 N ATOM 0 H LYS A 74 -1.450 11.359 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.801 13.437 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.147 11.086 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.251 10.546 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.381 12.816 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.030 11.192 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.034 10.428 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.709 12.040 -5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.185 12.949 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.987 11.669 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.138 11.436 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.515 10.120 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.651 11.360 -8.210 1.00 0.00 H new ATOM 1111 N THR A 75 -3.509 11.877 -3.601 1.00 0.00 N ATOM 1112 CA THR A 75 -4.690 12.041 -4.439 1.00 0.00 C ATOM 1113 C THR A 75 -5.659 13.050 -3.833 1.00 0.00 C ATOM 1114 O THR A 75 -6.032 14.030 -4.476 1.00 0.00 O ATOM 1115 CB THR A 75 -5.423 10.702 -4.645 1.00 0.00 C ATOM 1116 OG1 THR A 75 -6.022 10.278 -3.415 1.00 0.00 O ATOM 1117 CG2 THR A 75 -4.464 9.631 -5.143 1.00 0.00 C ATOM 0 H THR A 75 -3.440 10.968 -3.143 1.00 0.00 H new ATOM 0 HA THR A 75 -4.343 12.409 -5.405 1.00 0.00 H new ATOM 0 HB THR A 75 -6.199 10.849 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.487 9.427 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.004 8.694 -5.281 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.031 9.944 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.669 9.486 -4.412 1.00 0.00 H new ATOM 1125 N GLY A 76 -6.063 12.803 -2.591 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.986 13.700 -1.919 1.00 0.00 C ATOM 1127 C GLY A 76 -8.054 12.957 -1.142 1.00 0.00 C ATOM 1128 O GLY A 76 -9.224 13.340 -1.159 1.00 0.00 O ATOM 0 H GLY A 76 -5.768 11.998 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.430 14.346 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.461 14.347 -2.657 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.652 11.889 -0.459 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.585 11.089 0.328 1.00 0.00 C ATOM 1134 C HIS A 77 -8.147 11.024 1.788 1.00 0.00 C ATOM 1135 O HIS A 77 -7.032 11.417 2.131 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.691 9.677 -0.249 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.599 9.581 -1.436 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.908 10.015 -1.419 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -9.380 9.099 -2.681 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -11.455 9.802 -2.602 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -10.549 9.247 -3.387 1.00 0.00 N ATOM 0 H HIS A 77 -6.688 11.558 -0.435 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.564 11.566 0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.696 9.335 -0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.050 9.002 0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.458 8.676 -3.051 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.471 10.041 -2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.694 8.973 -4.359 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.033 10.526 2.644 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.739 10.409 4.067 1.00 0.00 C ATOM 1152 C LYS A 78 -8.481 8.955 4.452 1.00 0.00 C ATOM 1153 O LYS A 78 -9.389 8.123 4.416 1.00 0.00 O ATOM 1154 CB LYS A 78 -9.897 10.969 4.896 1.00 0.00 C ATOM 1155 CG LYS A 78 -9.740 10.745 6.390 1.00 0.00 C ATOM 1156 CD LYS A 78 -8.774 11.743 7.006 1.00 0.00 C ATOM 1157 CE LYS A 78 -9.438 13.093 7.233 1.00 0.00 C ATOM 1158 NZ LYS A 78 -10.479 13.027 8.295 1.00 0.00 N ATOM 0 H LYS A 78 -9.961 10.197 2.377 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.838 10.987 4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.986 12.038 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.827 10.508 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.712 10.831 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.382 9.732 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.403 11.354 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.910 11.866 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.682 13.827 7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.890 13.437 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.665 13.983 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.355 12.630 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.145 12.421 9.071 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.241 8.656 4.820 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.864 7.303 5.213 1.00 0.00 C ATOM 1174 C LEU A 79 -7.433 6.955 6.584 1.00 0.00 C ATOM 1175 O LEU A 79 -7.515 7.809 7.468 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.341 7.160 5.229 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.784 6.008 6.065 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.270 4.672 5.525 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.263 6.054 6.090 1.00 0.00 C ATOM 0 H LEU A 79 -6.479 9.333 4.855 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.280 6.610 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.997 7.037 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.913 8.091 5.599 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.148 6.117 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.863 3.864 6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.359 4.640 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.937 4.553 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.884 5.227 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.880 5.971 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.935 6.998 6.525 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.824 5.696 6.756 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.383 5.235 8.022 1.00 0.00 C ATOM 1193 C HIS A 80 -7.321 4.530 8.860 1.00 0.00 C ATOM 1194 O HIS A 80 -6.555 3.701 8.366 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.560 4.293 7.771 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.748 4.968 7.157 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.010 4.921 7.711 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.860 5.712 6.031 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.847 5.605 6.951 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.174 6.095 5.926 1.00 0.00 N ATOM 0 H HIS A 80 -7.764 4.977 6.035 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.736 6.106 8.574 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.234 3.484 7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.859 3.839 8.716 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.064 5.958 5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.902 5.740 7.137 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.567 6.666 5.177 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.271 4.865 10.158 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.307 4.275 11.091 1.00 0.00 C ATOM 1211 C PRO A 81 -6.604 2.807 11.381 1.00 0.00 C ATOM 1212 O PRO A 81 -7.700 2.309 11.126 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.481 5.115 12.359 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.872 5.640 12.277 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.153 5.844 10.814 1.00 0.00 C ATOM 0 HA PRO A 81 -5.293 4.287 10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.337 4.512 13.256 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.754 5.926 12.400 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.581 4.938 12.716 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.969 6.576 12.827 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.201 5.663 10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.927 6.863 10.500 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.605 2.097 11.925 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.735 0.676 12.262 1.00 0.00 C ATOM 1225 C PRO A 82 -6.674 0.444 13.440 1.00 0.00 C ATOM 1226 O PRO A 82 -7.403 1.345 13.855 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.307 0.265 12.627 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.652 1.527 13.073 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.271 2.626 12.255 1.00 0.00 C ATOM 0 HA PRO A 82 -6.161 0.100 11.441 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.301 -0.485 13.418 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.789 -0.169 11.772 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.813 1.695 14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.574 1.484 12.917 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.336 3.557 12.817 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.689 2.836 11.358 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.652 -0.771 13.978 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.500 -1.123 15.111 1.00 0.00 C ATOM 1239 C LYS A 83 -7.088 -0.350 16.359 1.00 0.00 C ATOM 1240 O LYS A 83 -5.970 -0.497 16.852 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.426 -2.627 15.382 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.182 -3.047 16.146 1.00 0.00 C ATOM 1243 CD LYS A 83 -6.406 -2.994 17.648 1.00 0.00 C ATOM 1244 CE LYS A 83 -7.038 -4.278 18.163 1.00 0.00 C ATOM 1245 NZ LYS A 83 -6.082 -5.419 18.131 1.00 0.00 N ATOM 0 H LYS A 83 -6.055 -1.529 13.647 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.527 -0.855 14.862 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.308 -2.930 15.946 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.456 -3.161 14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.899 -4.059 15.855 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.351 -2.394 15.878 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.455 -2.827 18.153 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.049 -2.148 17.891 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.388 -4.126 19.184 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.912 -4.520 17.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.578 -6.295 18.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.690 -5.516 17.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.310 -5.244 18.805 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.000 0.474 16.868 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.712 1.256 18.056 1.00 0.00 C ATOM 1261 C GLY A 84 -6.773 2.412 17.775 1.00 0.00 C ATOM 1262 O GLY A 84 -5.882 2.705 18.573 1.00 0.00 O ATOM 0 H GLY A 84 -8.932 0.613 16.479 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.644 1.641 18.469 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.271 0.610 18.815 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.970 3.070 16.638 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.130 4.198 16.251 1.00 0.00 C ATOM 1268 C TYR A 85 -6.954 5.276 15.554 1.00 0.00 C ATOM 1269 O TYR A 85 -7.878 4.977 14.798 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.001 3.729 15.333 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.753 3.306 16.074 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.749 4.222 16.364 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.577 1.990 16.485 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.607 3.841 17.040 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.438 1.600 17.163 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.456 2.529 17.438 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.320 2.144 18.113 1.00 0.00 O ATOM 0 H TYR A 85 -7.704 2.842 15.968 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.698 4.625 17.156 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.357 2.893 14.732 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.748 4.533 14.642 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.864 5.250 16.055 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.343 1.260 16.271 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.836 4.566 17.256 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.317 0.573 17.476 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.372 1.188 18.322 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.611 6.533 15.813 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.315 7.659 15.211 1.00 0.00 C ATOM 1289 C LYS A 86 -6.571 8.171 13.981 1.00 0.00 C ATOM 1290 O LYS A 86 -5.362 7.982 13.853 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.477 8.790 16.229 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.415 9.893 15.769 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.867 9.450 15.826 1.00 0.00 C ATOM 1294 CE LYS A 86 -10.383 9.417 17.257 1.00 0.00 C ATOM 1295 NZ LYS A 86 -10.701 10.780 17.764 1.00 0.00 N ATOM 0 H LYS A 86 -5.849 6.798 16.437 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.301 7.314 14.901 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.850 8.374 17.165 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.498 9.221 16.439 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.278 10.774 16.396 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.162 10.185 14.750 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.479 10.129 15.233 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.965 8.460 15.380 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.276 8.794 17.307 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.635 8.955 17.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.081 10.711 18.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.836 11.358 17.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.408 11.225 17.144 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.302 8.821 13.081 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.709 9.360 11.862 1.00 0.00 C ATOM 1311 C GLU A 87 -5.787 10.534 12.179 1.00 0.00 C ATOM 1312 O GLU A 87 -4.735 10.693 11.561 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.804 9.805 10.890 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.589 11.015 11.370 1.00 0.00 C ATOM 1315 CD GLU A 87 -7.932 12.326 10.985 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -6.962 12.295 10.199 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -8.387 13.383 11.471 1.00 0.00 O ATOM 0 H GLU A 87 -8.304 8.987 13.172 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.118 8.572 11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.351 10.036 9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.493 8.976 10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.595 10.980 10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.693 10.969 12.454 1.00 0.00 H new ATOM 1324 N GLU A 88 -6.190 11.351 13.147 1.00 0.00 N ATOM 1325 CA GLU A 88 -5.401 12.511 13.544 1.00 0.00 C ATOM 1326 C GLU A 88 -4.168 12.084 14.336 1.00 0.00 C ATOM 1327 O GLU A 88 -3.124 12.733 14.275 1.00 0.00 O ATOM 1328 CB GLU A 88 -6.250 13.471 14.380 1.00 0.00 C ATOM 1329 CG GLU A 88 -7.283 12.773 15.247 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.873 13.687 16.304 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -8.835 14.417 15.985 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.373 13.673 17.447 1.00 0.00 O ATOM 0 H GLU A 88 -7.057 11.231 13.670 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.072 13.022 12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.593 14.062 15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.759 14.167 13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.084 12.391 14.614 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.822 11.913 15.732 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.298 10.989 15.078 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.196 10.477 15.883 1.00 0.00 C ATOM 1341 C GLU A 89 -2.221 9.676 15.024 1.00 0.00 C ATOM 1342 O GLU A 89 -1.019 9.942 15.017 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.728 9.602 17.020 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.691 10.326 17.945 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.987 11.016 19.097 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -3.083 10.398 19.696 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -4.340 12.176 19.398 1.00 0.00 O ATOM 0 H GLU A 89 -5.155 10.440 15.138 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.665 11.329 16.308 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.230 8.733 16.594 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.887 9.229 17.604 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.252 11.064 17.373 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.414 9.613 18.341 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.749 8.695 14.300 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.927 7.854 13.438 1.00 0.00 C ATOM 1356 C PHE A 90 -1.001 8.703 12.572 1.00 0.00 C ATOM 1357 O PHE A 90 -1.453 9.429 11.688 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.813 6.978 12.549 1.00 0.00 C ATOM 1359 CG PHE A 90 -2.037 6.101 11.608 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -1.239 5.077 12.093 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -2.106 6.300 10.239 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.524 4.268 11.230 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.394 5.494 9.371 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.601 4.477 9.868 1.00 0.00 C ATOM 0 H PHE A 90 -3.742 8.463 14.293 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.316 7.214 14.074 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.442 6.352 13.181 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.479 7.618 11.971 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.175 4.909 13.158 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.723 7.094 9.845 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.094 3.473 11.621 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.457 5.659 8.306 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.043 3.847 9.192 1.00 0.00 H new ATOM 1374 N ASN A 91 0.299 8.606 12.835 1.00 0.00 N ATOM 1375 CA ASN A 91 1.290 9.366 12.082 1.00 0.00 C ATOM 1376 C ASN A 91 2.302 8.435 11.422 1.00 0.00 C ATOM 1377 O ASN A 91 3.255 7.986 12.059 1.00 0.00 O ATOM 1378 CB ASN A 91 2.011 10.354 13.000 1.00 0.00 C ATOM 1379 CG ASN A 91 1.291 11.685 13.097 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.394 11.860 13.922 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.681 12.632 12.251 1.00 0.00 N ATOM 0 H ASN A 91 0.690 8.009 13.564 1.00 0.00 H new ATOM 0 HA ASN A 91 0.770 9.920 11.301 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.102 9.920 13.996 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.023 10.518 12.630 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.233 13.548 12.269 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.429 12.443 11.584 1.00 0.00 H new ATOM 1388 N TRP A 92 2.089 8.150 10.142 1.00 0.00 N ATOM 1389 CA TRP A 92 2.984 7.273 9.395 1.00 0.00 C ATOM 1390 C TRP A 92 4.427 7.447 9.857 1.00 0.00 C ATOM 1391 O TRP A 92 4.984 6.572 10.519 1.00 0.00 O ATOM 1392 CB TRP A 92 2.878 7.559 7.897 1.00 0.00 C ATOM 1393 CG TRP A 92 1.832 6.735 7.208 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.602 7.155 6.789 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.925 5.349 6.860 1.00 0.00 C ATOM 1396 NE1 TRP A 92 -0.076 6.114 6.202 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.714 4.995 6.232 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.913 4.373 7.016 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.468 3.708 5.763 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.667 3.096 6.550 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.453 2.772 5.929 1.00 0.00 C ATOM 0 H TRP A 92 1.305 8.513 9.600 1.00 0.00 H new ATOM 0 HA TRP A 92 2.683 6.242 9.583 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.653 8.615 7.751 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.845 7.372 7.429 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.218 8.158 6.902 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -1.015 6.166 5.808 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.852 4.613 7.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.467 3.457 5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.423 2.334 6.666 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.292 1.765 5.575 1.00 0.00 H new ATOM 1412 N GLN A 93 5.025 8.580 9.504 1.00 0.00 N ATOM 1413 CA GLN A 93 6.403 8.866 9.883 1.00 0.00 C ATOM 1414 C GLN A 93 6.693 8.372 11.296 1.00 0.00 C ATOM 1415 O GLN A 93 7.675 7.667 11.530 1.00 0.00 O ATOM 1416 CB GLN A 93 6.679 10.368 9.788 1.00 0.00 C ATOM 1417 CG GLN A 93 5.595 11.226 10.420 1.00 0.00 C ATOM 1418 CD GLN A 93 5.575 12.639 9.869 1.00 0.00 C ATOM 1419 OE1 GLN A 93 4.555 13.326 9.929 1.00 0.00 O ATOM 1420 NE2 GLN A 93 6.704 13.080 9.328 1.00 0.00 N ATOM 0 H GLN A 93 4.577 9.315 8.956 1.00 0.00 H new ATOM 0 HA GLN A 93 7.060 8.338 9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.631 10.585 10.272 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.784 10.644 8.739 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.624 10.760 10.252 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.748 11.263 11.499 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.526 12.476 9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.750 14.023 8.941 1.00 0.00 H new ATOM 1429 N THR A 94 5.832 8.747 12.237 1.00 0.00 N ATOM 1430 CA THR A 94 5.996 8.343 13.628 1.00 0.00 C ATOM 1431 C THR A 94 6.053 6.825 13.757 1.00 0.00 C ATOM 1432 O THR A 94 6.824 6.289 14.553 1.00 0.00 O ATOM 1433 CB THR A 94 4.851 8.880 14.508 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.649 10.274 14.252 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.158 8.669 15.983 1.00 0.00 C ATOM 0 H THR A 94 5.014 9.330 12.061 1.00 0.00 H new ATOM 0 HA THR A 94 6.938 8.769 13.972 1.00 0.00 H new ATOM 0 HB THR A 94 3.943 8.330 14.260 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.034 10.644 14.920 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.336 9.056 16.585 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.282 7.604 16.180 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.076 9.196 16.242 1.00 0.00 H new ATOM 1443 N TYR A 95 5.232 6.139 12.970 1.00 0.00 N ATOM 1444 CA TYR A 95 5.188 4.682 12.998 1.00 0.00 C ATOM 1445 C TYR A 95 6.321 4.086 12.168 1.00 0.00 C ATOM 1446 O TYR A 95 6.698 2.928 12.351 1.00 0.00 O ATOM 1447 CB TYR A 95 3.840 4.181 12.475 1.00 0.00 C ATOM 1448 CG TYR A 95 3.804 2.691 12.222 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.422 1.803 13.094 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.152 2.171 11.110 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.392 0.441 12.866 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.116 0.811 10.875 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.738 -0.050 11.755 1.00 0.00 C ATOM 1454 OH TYR A 95 3.704 -1.407 11.525 1.00 0.00 O ATOM 0 H TYR A 95 4.588 6.568 12.305 1.00 0.00 H new ATOM 0 HA TYR A 95 5.312 4.361 14.032 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.063 4.438 13.195 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.602 4.704 11.549 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.935 2.184 13.965 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.665 2.842 10.418 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.878 -0.236 13.554 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.604 0.423 10.007 1.00 0.00 H new ATOM 0 HH TYR A 95 3.203 -1.587 10.702 1.00 0.00 H new ATOM 1464 N LEU A 96 6.860 4.886 11.255 1.00 0.00 N ATOM 1465 CA LEU A 96 7.952 4.441 10.396 1.00 0.00 C ATOM 1466 C LEU A 96 9.302 4.662 11.071 1.00 0.00 C ATOM 1467 O LEU A 96 10.314 4.093 10.662 1.00 0.00 O ATOM 1468 CB LEU A 96 7.909 5.182 9.059 1.00 0.00 C ATOM 1469 CG LEU A 96 6.575 5.147 8.314 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.421 6.379 7.436 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.462 3.878 7.480 1.00 0.00 C ATOM 0 H LEU A 96 6.559 5.846 11.090 1.00 0.00 H new ATOM 0 HA LEU A 96 7.828 3.373 10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.176 6.224 9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.676 4.762 8.409 1.00 0.00 H new ATOM 0 HG LEU A 96 5.771 5.147 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.465 6.336 6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.456 7.275 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.231 6.410 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.506 3.870 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.274 3.847 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.525 3.007 8.132 1.00 0.00 H new ATOM 1483 N LYS A 97 9.309 5.492 12.109 1.00 0.00 N ATOM 1484 CA LYS A 97 10.533 5.787 12.844 1.00 0.00 C ATOM 1485 C LYS A 97 10.719 4.814 14.004 1.00 0.00 C ATOM 1486 O LYS A 97 11.844 4.444 14.344 1.00 0.00 O ATOM 1487 CB LYS A 97 10.503 7.224 13.370 1.00 0.00 C ATOM 1488 CG LYS A 97 9.851 7.358 14.736 1.00 0.00 C ATOM 1489 CD LYS A 97 10.864 7.185 15.856 1.00 0.00 C ATOM 1490 CE LYS A 97 10.391 7.847 17.141 1.00 0.00 C ATOM 1491 NZ LYS A 97 11.015 7.230 18.344 1.00 0.00 N ATOM 0 H LYS A 97 8.480 5.972 12.460 1.00 0.00 H new ATOM 0 HA LYS A 97 11.374 5.674 12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.523 7.603 13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.967 7.852 12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.378 8.336 14.820 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.063 6.612 14.839 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.034 6.123 16.034 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.819 7.615 15.554 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.631 8.910 17.112 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.306 7.767 17.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.667 7.709 19.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.765 6.221 18.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.049 7.329 18.288 1.00 0.00 H new ATOM 1505 N THR A 98 9.609 4.401 14.608 1.00 0.00 N ATOM 1506 CA THR A 98 9.650 3.470 15.728 1.00 0.00 C ATOM 1507 C THR A 98 9.977 2.057 15.259 1.00 0.00 C ATOM 1508 O THR A 98 10.692 1.317 15.936 1.00 0.00 O ATOM 1509 CB THR A 98 8.312 3.449 16.490 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.478 2.797 17.755 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.240 2.733 15.682 1.00 0.00 C ATOM 0 H THR A 98 8.670 4.697 14.340 1.00 0.00 H new ATOM 0 HA THR A 98 10.436 3.818 16.398 1.00 0.00 H new ATOM 0 HB THR A 98 7.995 4.479 16.652 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.623 2.789 18.234 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.304 2.731 16.241 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.095 3.249 14.733 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.552 1.706 15.493 1.00 0.00 H new ATOM 1519 N CYS A 99 9.451 1.689 14.096 1.00 0.00 N ATOM 1520 CA CYS A 99 9.686 0.363 13.535 1.00 0.00 C ATOM 1521 C CYS A 99 10.773 0.411 12.466 1.00 0.00 C ATOM 1522 O CYS A 99 10.871 -0.483 11.625 1.00 0.00 O ATOM 1523 CB CYS A 99 8.394 -0.200 12.942 1.00 0.00 C ATOM 1524 SG CYS A 99 7.394 -1.145 14.114 1.00 0.00 S ATOM 0 H CYS A 99 8.859 2.290 13.523 1.00 0.00 H new ATOM 0 HA CYS A 99 10.021 -0.291 14.340 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.796 0.624 12.553 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.644 -0.840 12.096 1.00 0.00 H new ATOM 0 HG CYS A 99 6.437 -1.752 13.477 1.00 0.00 H new ATOM 1530 N LYS A 100 11.587 1.460 12.503 1.00 0.00 N ATOM 1531 CA LYS A 100 12.667 1.626 11.538 1.00 0.00 C ATOM 1532 C LYS A 100 12.292 1.015 10.192 1.00 0.00 C ATOM 1533 O LYS A 100 13.125 0.403 9.524 1.00 0.00 O ATOM 1534 CB LYS A 100 13.952 0.981 12.063 1.00 0.00 C ATOM 1535 CG LYS A 100 13.737 -0.394 12.672 1.00 0.00 C ATOM 1536 CD LYS A 100 13.328 -0.299 14.133 1.00 0.00 C ATOM 1537 CE LYS A 100 13.162 -1.676 14.756 1.00 0.00 C ATOM 1538 NZ LYS A 100 14.475 -2.298 15.084 1.00 0.00 N ATOM 0 H LYS A 100 11.519 2.209 13.192 1.00 0.00 H new ATOM 0 HA LYS A 100 12.835 2.694 11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.668 0.899 11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.397 1.636 12.812 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.967 -0.925 12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.653 -0.978 12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.080 0.264 14.686 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.392 0.254 14.215 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.562 -1.595 15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.616 -2.322 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.319 -3.235 15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.038 -2.399 14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.986 -1.694 15.759 1.00 0.00 H new ATOM 1552 N ALA A 101 11.034 1.186 9.799 1.00 0.00 N ATOM 1553 CA ALA A 101 10.551 0.655 8.531 1.00 0.00 C ATOM 1554 C ALA A 101 10.513 1.739 7.459 1.00 0.00 C ATOM 1555 O ALA A 101 10.342 2.919 7.765 1.00 0.00 O ATOM 1556 CB ALA A 101 9.172 0.037 8.709 1.00 0.00 C ATOM 0 H ALA A 101 10.331 1.688 10.341 1.00 0.00 H new ATOM 0 HA ALA A 101 11.245 -0.119 8.202 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.823 -0.356 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.227 -0.773 9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.476 0.797 9.065 1.00 0.00 H new ATOM 1562 N GLN A 102 10.673 1.331 6.205 1.00 0.00 N ATOM 1563 CA GLN A 102 10.658 2.270 5.089 1.00 0.00 C ATOM 1564 C GLN A 102 9.488 1.984 4.153 1.00 0.00 C ATOM 1565 O GLN A 102 9.399 0.905 3.567 1.00 0.00 O ATOM 1566 CB GLN A 102 11.976 2.196 4.315 1.00 0.00 C ATOM 1567 CG GLN A 102 13.179 2.667 5.116 1.00 0.00 C ATOM 1568 CD GLN A 102 14.492 2.403 4.406 1.00 0.00 C ATOM 1569 OE1 GLN A 102 15.166 1.408 4.675 1.00 0.00 O ATOM 1570 NE2 GLN A 102 14.863 3.294 3.495 1.00 0.00 N ATOM 0 H GLN A 102 10.814 0.357 5.936 1.00 0.00 H new ATOM 0 HA GLN A 102 10.539 3.275 5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.143 1.167 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.892 2.801 3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.085 3.735 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.186 2.165 6.083 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.273 4.104 3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.738 3.169 2.986 1.00 0.00 H new ATOM 1579 N ALA A 103 8.594 2.957 4.018 1.00 0.00 N ATOM 1580 CA ALA A 103 7.430 2.811 3.152 1.00 0.00 C ATOM 1581 C ALA A 103 7.811 2.157 1.828 1.00 0.00 C ATOM 1582 O ALA A 103 8.863 2.450 1.260 1.00 0.00 O ATOM 1583 CB ALA A 103 6.780 4.164 2.908 1.00 0.00 C ATOM 0 H ALA A 103 8.653 3.855 4.497 1.00 0.00 H new ATOM 0 HA ALA A 103 6.712 2.162 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.913 4.039 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.464 4.593 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.497 4.831 2.430 1.00 0.00 H new ATOM 1589 N ALA A 104 6.948 1.272 1.341 1.00 0.00 N ATOM 1590 CA ALA A 104 7.193 0.578 0.082 1.00 0.00 C ATOM 1591 C ALA A 104 7.486 1.567 -1.041 1.00 0.00 C ATOM 1592 O ALA A 104 6.953 2.676 -1.080 1.00 0.00 O ATOM 1593 CB ALA A 104 6.002 -0.297 -0.279 1.00 0.00 C ATOM 0 H ALA A 104 6.073 1.018 1.799 1.00 0.00 H new ATOM 0 HA ALA A 104 8.070 -0.057 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.199 -0.809 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.840 -1.034 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.112 0.324 -0.383 1.00 0.00 H new ATOM 1599 N PRO A 105 8.355 1.158 -1.978 1.00 0.00 N ATOM 1600 CA PRO A 105 8.739 1.994 -3.120 1.00 0.00 C ATOM 1601 C PRO A 105 7.598 2.174 -4.116 1.00 0.00 C ATOM 1602 O PRO A 105 6.692 1.344 -4.195 1.00 0.00 O ATOM 1603 CB PRO A 105 9.889 1.213 -3.760 1.00 0.00 C ATOM 1604 CG PRO A 105 9.653 -0.204 -3.362 1.00 0.00 C ATOM 1605 CD PRO A 105 9.028 -0.151 -1.996 1.00 0.00 C ATOM 0 HA PRO A 105 9.010 3.004 -2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.888 1.325 -4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.856 1.569 -3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.996 -0.705 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.587 -0.765 -3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.322 -0.968 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.777 -0.228 -1.208 1.00 0.00 H new ATOM 1613 N LYS A 106 7.648 3.263 -4.875 1.00 0.00 N ATOM 1614 CA LYS A 106 6.620 3.552 -5.868 1.00 0.00 C ATOM 1615 C LYS A 106 6.800 2.680 -7.107 1.00 0.00 C ATOM 1616 O LYS A 106 5.910 2.598 -7.954 1.00 0.00 O ATOM 1617 CB LYS A 106 6.664 5.030 -6.262 1.00 0.00 C ATOM 1618 CG LYS A 106 7.888 5.406 -7.079 1.00 0.00 C ATOM 1619 CD LYS A 106 8.173 6.897 -7.003 1.00 0.00 C ATOM 1620 CE LYS A 106 9.001 7.244 -5.775 1.00 0.00 C ATOM 1621 NZ LYS A 106 8.171 7.277 -4.539 1.00 0.00 N ATOM 0 H LYS A 106 8.390 3.961 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 106 5.649 3.328 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.768 5.272 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.640 5.639 -5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.753 4.850 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.736 5.116 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.703 7.214 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.233 7.447 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.800 6.512 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.476 8.214 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.593 7.937 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.209 7.592 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.131 6.325 -4.122 1.00 0.00 H new ATOM 1635 N SER A 107 7.954 2.028 -7.204 1.00 0.00 N ATOM 1636 CA SER A 107 8.250 1.164 -8.340 1.00 0.00 C ATOM 1637 C SER A 107 7.344 -0.063 -8.340 1.00 0.00 C ATOM 1638 O SER A 107 7.093 -0.665 -9.386 1.00 0.00 O ATOM 1639 CB SER A 107 9.717 0.728 -8.308 1.00 0.00 C ATOM 1640 OG SER A 107 10.018 0.041 -7.107 1.00 0.00 O ATOM 0 H SER A 107 8.699 2.082 -6.510 1.00 0.00 H new ATOM 0 HA SER A 107 8.066 1.730 -9.253 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.927 0.084 -9.162 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.362 1.602 -8.402 1.00 0.00 H new ATOM 0 HG SER A 107 10.960 -0.228 -7.112 1.00 0.00 H new ATOM 1646 N LEU A 108 6.855 -0.429 -7.161 1.00 0.00 N ATOM 1647 CA LEU A 108 5.975 -1.585 -7.022 1.00 0.00 C ATOM 1648 C LEU A 108 4.576 -1.270 -7.544 1.00 0.00 C ATOM 1649 O LEU A 108 3.803 -2.174 -7.862 1.00 0.00 O ATOM 1650 CB LEU A 108 5.900 -2.021 -5.558 1.00 0.00 C ATOM 1651 CG LEU A 108 7.130 -2.743 -5.009 1.00 0.00 C ATOM 1652 CD1 LEU A 108 7.091 -2.784 -3.489 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.221 -4.151 -5.580 1.00 0.00 C ATOM 0 H LEU A 108 7.053 0.058 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 108 6.389 -2.400 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.719 -1.138 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.036 -2.675 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 108 8.018 -2.190 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.975 -3.302 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.075 -1.767 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.196 -3.313 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.103 -4.650 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.329 -4.713 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.297 -4.099 -6.666 1.00 0.00 H new ATOM 1665 N PHE A 109 4.259 0.017 -7.630 1.00 0.00 N ATOM 1666 CA PHE A 109 2.954 0.452 -8.114 1.00 0.00 C ATOM 1667 C PHE A 109 3.094 1.279 -9.389 1.00 0.00 C ATOM 1668 O PHE A 109 2.332 2.217 -9.618 1.00 0.00 O ATOM 1669 CB PHE A 109 2.233 1.269 -7.039 1.00 0.00 C ATOM 1670 CG PHE A 109 2.308 0.656 -5.670 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.429 0.837 -4.876 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.258 -0.102 -5.177 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.501 0.274 -3.616 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.324 -0.667 -3.918 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.446 -0.478 -3.136 1.00 0.00 C ATOM 0 H PHE A 109 4.888 0.777 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 109 2.365 -0.436 -8.341 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.664 2.270 -7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.186 1.382 -7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.256 1.425 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.378 -0.253 -5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.381 0.422 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.499 -1.256 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.499 -0.917 -2.151 1.00 0.00 H new ATOM 1685 N GLU A 110 4.075 0.924 -10.213 1.00 0.00 N ATOM 1686 CA GLU A 110 4.316 1.634 -11.463 1.00 0.00 C ATOM 1687 C GLU A 110 3.442 1.077 -12.583 1.00 0.00 C ATOM 1688 O GLU A 110 3.855 1.030 -13.741 1.00 0.00 O ATOM 1689 CB GLU A 110 5.792 1.535 -11.855 1.00 0.00 C ATOM 1690 CG GLU A 110 6.235 2.609 -12.835 1.00 0.00 C ATOM 1691 CD GLU A 110 6.482 3.945 -12.163 1.00 0.00 C ATOM 1692 OE1 GLU A 110 6.984 3.952 -11.020 1.00 0.00 O ATOM 1693 OE2 GLU A 110 6.173 4.986 -12.781 1.00 0.00 O ATOM 0 H GLU A 110 4.715 0.150 -10.037 1.00 0.00 H new ATOM 0 HA GLU A 110 4.057 2.682 -11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.403 1.602 -10.955 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.978 0.555 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.147 2.284 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.473 2.729 -13.605 1.00 0.00 H new ATOM 1700 N ASN A 111 2.233 0.655 -12.228 1.00 0.00 N ATOM 1701 CA ASN A 111 1.301 0.099 -13.202 1.00 0.00 C ATOM 1702 C ASN A 111 0.286 1.149 -13.644 1.00 0.00 C ATOM 1703 O ASN A 111 0.063 1.346 -14.838 1.00 0.00 O ATOM 1704 CB ASN A 111 0.574 -1.111 -12.611 1.00 0.00 C ATOM 1705 CG ASN A 111 1.478 -2.322 -12.483 1.00 0.00 C ATOM 1706 OD1 ASN A 111 1.408 -3.251 -13.288 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.333 -2.317 -11.467 1.00 0.00 N ATOM 0 H ASN A 111 1.876 0.687 -11.273 1.00 0.00 H new ATOM 0 HA ASN A 111 1.873 -0.219 -14.074 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.179 -0.850 -11.629 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.279 -1.363 -13.241 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.966 -3.105 -11.330 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.356 -1.525 -10.824 1.00 0.00 H new ATOM 1714 N GLN A 112 -0.324 1.821 -12.673 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.314 2.851 -12.963 1.00 0.00 C ATOM 1716 C GLN A 112 -0.694 4.242 -12.879 1.00 0.00 C ATOM 1717 O GLN A 112 -0.047 4.585 -11.891 1.00 0.00 O ATOM 1718 CB GLN A 112 -2.490 2.745 -11.990 1.00 0.00 C ATOM 1719 CG GLN A 112 -2.164 3.227 -10.586 1.00 0.00 C ATOM 1720 CD GLN A 112 -3.058 2.603 -9.533 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -2.669 1.650 -8.857 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -4.264 3.139 -9.386 1.00 0.00 N ATOM 0 H GLN A 112 -0.150 1.671 -11.679 1.00 0.00 H new ATOM 0 HA GLN A 112 -1.676 2.696 -13.979 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -3.326 3.326 -12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.818 1.707 -11.942 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -1.124 2.994 -10.358 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -2.264 4.312 -10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -4.546 3.928 -9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.909 2.761 -8.692 1.00 0.00 H new ATOM 1731 N ASN A 113 -0.896 5.038 -13.924 1.00 0.00 N ATOM 1732 CA ASN A 113 -0.355 6.392 -13.969 1.00 0.00 C ATOM 1733 C ASN A 113 -1.227 7.297 -14.833 1.00 0.00 C ATOM 1734 O ASN A 113 -2.220 6.853 -15.410 1.00 0.00 O ATOM 1735 CB ASN A 113 1.076 6.374 -14.511 1.00 0.00 C ATOM 1736 CG ASN A 113 2.003 5.519 -13.669 1.00 0.00 C ATOM 1737 OD1 ASN A 113 2.544 4.519 -14.142 1.00 0.00 O ATOM 1738 ND2 ASN A 113 2.190 5.910 -12.414 1.00 0.00 N ATOM 0 H ASN A 113 -1.430 4.769 -14.750 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.346 6.788 -12.953 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.069 5.998 -15.534 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.460 7.393 -14.548 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.803 5.375 -11.799 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.721 6.746 -12.065 1.00 0.00 H new ATOM 1745 N ILE A 114 -0.849 8.568 -14.918 1.00 0.00 N ATOM 1746 CA ILE A 114 -1.595 9.536 -15.713 1.00 0.00 C ATOM 1747 C ILE A 114 -0.882 9.833 -17.028 1.00 0.00 C ATOM 1748 O ILE A 114 0.346 9.908 -17.079 1.00 0.00 O ATOM 1749 CB ILE A 114 -1.803 10.854 -14.945 1.00 0.00 C ATOM 1750 CG1 ILE A 114 -2.541 10.593 -13.630 1.00 0.00 C ATOM 1751 CG2 ILE A 114 -2.572 11.850 -15.801 1.00 0.00 C ATOM 1752 CD1 ILE A 114 -3.904 9.966 -13.816 1.00 0.00 C ATOM 0 H ILE A 114 -0.030 8.952 -14.446 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.567 9.090 -15.923 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.827 11.280 -14.714 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.932 9.940 -13.005 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.654 11.535 -13.093 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -2.711 12.777 -15.244 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.011 12.055 -16.713 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -3.545 11.432 -16.060 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -4.369 9.810 -12.842 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.530 10.627 -14.415 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.797 9.008 -14.325 1.00 0.00 H new ATOM 1764 N THR A 115 -1.661 10.004 -18.091 1.00 0.00 N ATOM 1765 CA THR A 115 -1.106 10.295 -19.407 1.00 0.00 C ATOM 1766 C THR A 115 -0.743 11.769 -19.537 1.00 0.00 C ATOM 1767 O THR A 115 -1.410 12.636 -18.971 1.00 0.00 O ATOM 1768 CB THR A 115 -2.092 9.919 -20.529 1.00 0.00 C ATOM 1769 OG1 THR A 115 -2.547 8.573 -20.351 1.00 0.00 O ATOM 1770 CG2 THR A 115 -1.439 10.063 -21.895 1.00 0.00 C ATOM 0 H THR A 115 -2.679 9.946 -18.066 1.00 0.00 H new ATOM 0 HA THR A 115 -0.204 9.692 -19.510 1.00 0.00 H new ATOM 0 HB THR A 115 -2.942 10.599 -20.478 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.175 8.342 -21.067 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.155 9.792 -22.671 1.00 0.00 H new ATOM 0 HG22 THR A 115 -1.121 11.096 -22.039 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.572 9.405 -21.955 1.00 0.00 H new ATOM 1778 N VAL A 116 0.318 12.049 -20.288 1.00 0.00 N ATOM 1779 CA VAL A 116 0.769 13.420 -20.494 1.00 0.00 C ATOM 1780 C VAL A 116 -0.289 14.243 -21.221 1.00 0.00 C ATOM 1781 O VAL A 116 -1.033 13.721 -22.052 1.00 0.00 O ATOM 1782 CB VAL A 116 2.081 13.465 -21.299 1.00 0.00 C ATOM 1783 CG1 VAL A 116 2.464 14.902 -21.617 1.00 0.00 C ATOM 1784 CG2 VAL A 116 3.196 12.762 -20.539 1.00 0.00 C ATOM 0 H VAL A 116 0.881 11.344 -20.764 1.00 0.00 H new ATOM 0 HA VAL A 116 0.943 13.847 -19.507 1.00 0.00 H new ATOM 0 HB VAL A 116 1.927 12.939 -22.241 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.394 14.913 -22.186 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.673 15.368 -22.205 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.600 15.456 -20.688 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.116 12.803 -21.122 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.351 13.257 -19.581 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.920 11.721 -20.369 1.00 0.00 H new ATOM 1794 N ILE A 117 -0.350 15.531 -20.903 1.00 0.00 N ATOM 1795 CA ILE A 117 -1.316 16.427 -21.527 1.00 0.00 C ATOM 1796 C ILE A 117 -1.000 16.632 -23.005 1.00 0.00 C ATOM 1797 O ILE A 117 0.148 16.536 -23.439 1.00 0.00 O ATOM 1798 CB ILE A 117 -1.349 17.797 -20.825 1.00 0.00 C ATOM 1799 CG1 ILE A 117 0.056 18.403 -20.775 1.00 0.00 C ATOM 1800 CG2 ILE A 117 -1.923 17.661 -19.423 1.00 0.00 C ATOM 1801 CD1 ILE A 117 0.066 19.878 -20.443 1.00 0.00 C ATOM 0 H ILE A 117 0.258 15.978 -20.217 1.00 0.00 H new ATOM 0 HA ILE A 117 -2.294 15.955 -21.429 1.00 0.00 H new ATOM 0 HB ILE A 117 -1.993 18.466 -21.396 1.00 0.00 H new ATOM 0 HG12 ILE A 117 0.648 17.868 -20.032 1.00 0.00 H new ATOM 0 HG13 ILE A 117 0.542 18.252 -21.739 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -1.939 18.638 -18.940 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -2.938 17.268 -19.482 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.303 16.979 -18.841 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.094 20.240 -20.425 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -0.498 20.425 -21.199 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -0.391 20.034 -19.466 1.00 0.00 H new ATOM 1813 N PRO A 118 -2.042 16.924 -23.797 1.00 0.00 N ATOM 1814 CA PRO A 118 -1.901 17.152 -25.239 1.00 0.00 C ATOM 1815 C PRO A 118 -1.173 18.455 -25.551 1.00 0.00 C ATOM 1816 O PRO A 118 -1.011 18.823 -26.714 1.00 0.00 O ATOM 1817 CB PRO A 118 -3.349 17.217 -25.731 1.00 0.00 C ATOM 1818 CG PRO A 118 -4.134 17.649 -24.541 1.00 0.00 C ATOM 1819 CD PRO A 118 -3.438 17.055 -23.348 1.00 0.00 C ATOM 0 HA PRO A 118 -1.308 16.373 -25.719 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.456 17.924 -26.554 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.687 16.248 -26.097 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -4.170 18.736 -24.471 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.165 17.300 -24.606 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -3.520 17.700 -22.473 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.864 16.090 -23.074 1.00 0.00 H new ATOM 1827 N SER A 119 -0.734 19.148 -24.505 1.00 0.00 N ATOM 1828 CA SER A 119 -0.025 20.412 -24.668 1.00 0.00 C ATOM 1829 C SER A 119 -0.940 21.473 -25.272 1.00 0.00 C ATOM 1830 O SER A 119 -0.553 22.191 -26.193 1.00 0.00 O ATOM 1831 CB SER A 119 1.206 20.219 -25.555 1.00 0.00 C ATOM 1832 OG SER A 119 2.028 19.173 -25.066 1.00 0.00 O ATOM 0 H SER A 119 -0.857 18.855 -23.536 1.00 0.00 H new ATOM 0 HA SER A 119 0.295 20.751 -23.683 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.892 19.993 -26.574 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.778 21.146 -25.596 1.00 0.00 H new ATOM 0 HG SER A 119 2.807 19.068 -25.651 1.00 0.00 H new ATOM 1838 N GLY A 120 -2.157 21.566 -24.745 1.00 0.00 N ATOM 1839 CA GLY A 120 -3.109 22.542 -25.243 1.00 0.00 C ATOM 1840 C GLY A 120 -3.530 23.537 -24.180 1.00 0.00 C ATOM 1841 O GLY A 120 -2.998 24.645 -24.111 1.00 0.00 O ATOM 0 H GLY A 120 -2.501 20.983 -23.982 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.669 23.078 -26.084 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -3.991 22.025 -25.621 1.00 0.00 H new ATOM 1845 N PHE A 121 -4.490 23.142 -23.350 1.00 0.00 N ATOM 1846 CA PHE A 121 -4.984 24.008 -22.286 1.00 0.00 C ATOM 1847 C PHE A 121 -4.174 23.816 -21.007 1.00 0.00 C ATOM 1848 O PHE A 121 -3.544 22.778 -20.809 1.00 0.00 O ATOM 1849 CB PHE A 121 -6.463 23.724 -22.014 1.00 0.00 C ATOM 1850 CG PHE A 121 -7.396 24.550 -22.852 1.00 0.00 C ATOM 1851 CD1 PHE A 121 -7.591 24.253 -24.192 1.00 0.00 C ATOM 1852 CD2 PHE A 121 -8.078 25.622 -22.301 1.00 0.00 C ATOM 1853 CE1 PHE A 121 -8.450 25.011 -24.966 1.00 0.00 C ATOM 1854 CE2 PHE A 121 -8.938 26.383 -23.070 1.00 0.00 C ATOM 1855 CZ PHE A 121 -9.123 26.078 -24.405 1.00 0.00 C ATOM 0 H PHE A 121 -4.941 22.228 -23.394 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.873 25.042 -22.613 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.662 22.668 -22.197 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -6.673 23.910 -20.961 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.066 23.420 -24.636 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.936 25.866 -21.259 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.594 24.769 -26.009 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.465 27.215 -22.628 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.793 26.673 -25.008 1.00 0.00 H new ATOM 1865 N SER A 122 -4.196 24.826 -20.143 1.00 0.00 N ATOM 1866 CA SER A 122 -3.460 24.772 -18.885 1.00 0.00 C ATOM 1867 C SER A 122 -4.241 25.460 -17.769 1.00 0.00 C ATOM 1868 O SER A 122 -4.512 26.658 -17.834 1.00 0.00 O ATOM 1869 CB SER A 122 -2.088 25.428 -19.043 1.00 0.00 C ATOM 1870 OG SER A 122 -1.172 24.550 -19.675 1.00 0.00 O ATOM 0 H SER A 122 -4.715 25.691 -20.291 1.00 0.00 H new ATOM 0 HA SER A 122 -3.324 23.724 -18.617 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.184 26.342 -19.629 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.704 25.716 -18.064 1.00 0.00 H new ATOM 0 HG SER A 122 -1.660 23.799 -20.073 1.00 0.00 H new ATOM 1876 N GLY A 123 -4.599 24.692 -16.745 1.00 0.00 N ATOM 1877 CA GLY A 123 -5.344 25.244 -15.629 1.00 0.00 C ATOM 1878 C GLY A 123 -4.447 25.653 -14.477 1.00 0.00 C ATOM 1879 O GLY A 123 -3.383 25.074 -14.255 1.00 0.00 O ATOM 0 H GLY A 123 -4.386 23.697 -16.668 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.912 26.110 -15.968 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.066 24.507 -15.279 1.00 0.00 H new ATOM 1883 N PRO A 124 -4.875 26.676 -13.723 1.00 0.00 N ATOM 1884 CA PRO A 124 -4.117 27.185 -12.576 1.00 0.00 C ATOM 1885 C PRO A 124 -4.100 26.203 -11.410 1.00 0.00 C ATOM 1886 O PRO A 124 -4.774 25.174 -11.442 1.00 0.00 O ATOM 1887 CB PRO A 124 -4.871 28.460 -12.191 1.00 0.00 C ATOM 1888 CG PRO A 124 -6.261 28.242 -12.682 1.00 0.00 C ATOM 1889 CD PRO A 124 -6.133 27.413 -13.930 1.00 0.00 C ATOM 0 HA PRO A 124 -3.068 27.351 -12.822 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -4.853 28.620 -11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -4.422 29.340 -12.652 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -6.864 27.729 -11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -6.754 29.191 -12.893 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.979 26.737 -14.052 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -6.091 28.036 -14.824 1.00 0.00 H new ATOM 1897 N SER A 125 -3.325 26.529 -10.380 1.00 0.00 N ATOM 1898 CA SER A 125 -3.218 25.673 -9.204 1.00 0.00 C ATOM 1899 C SER A 125 -3.809 26.360 -7.976 1.00 0.00 C ATOM 1900 O SER A 125 -3.194 27.253 -7.394 1.00 0.00 O ATOM 1901 CB SER A 125 -1.755 25.309 -8.943 1.00 0.00 C ATOM 1902 OG SER A 125 -1.136 24.813 -10.118 1.00 0.00 O ATOM 0 H SER A 125 -2.763 27.379 -10.336 1.00 0.00 H new ATOM 0 HA SER A 125 -3.783 24.761 -9.397 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.216 26.187 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.699 24.559 -8.154 1.00 0.00 H new ATOM 0 HG SER A 125 -0.201 24.589 -9.926 1.00 0.00 H new ATOM 1908 N SER A 126 -5.008 25.937 -7.589 1.00 0.00 N ATOM 1909 CA SER A 126 -5.686 26.513 -6.433 1.00 0.00 C ATOM 1910 C SER A 126 -5.048 26.032 -5.134 1.00 0.00 C ATOM 1911 O SER A 126 -4.645 24.875 -5.018 1.00 0.00 O ATOM 1912 CB SER A 126 -7.171 26.147 -6.451 1.00 0.00 C ATOM 1913 OG SER A 126 -7.927 27.117 -7.155 1.00 0.00 O ATOM 0 H SER A 126 -5.530 25.197 -8.059 1.00 0.00 H new ATOM 0 HA SER A 126 -5.586 27.597 -6.487 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.302 25.171 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.541 26.065 -5.429 1.00 0.00 H new ATOM 0 HG SER A 126 -8.872 26.859 -7.154 1.00 0.00 H new ATOM 1919 N GLY A 127 -4.958 26.930 -4.157 1.00 0.00 N ATOM 1920 CA GLY A 127 -4.369 26.579 -2.878 1.00 0.00 C ATOM 1921 C GLY A 127 -4.664 27.605 -1.803 1.00 0.00 C ATOM 1922 O GLY A 127 -4.984 27.251 -0.668 1.00 0.00 O ATOM 0 H GLY A 127 -5.283 27.894 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -4.747 25.607 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.290 26.479 -2.994 1.00 0.00 H new TER 1926 GLY A 127