USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 906 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 106 THR OG1 : rot -9:sc= 0.476 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -3.9! C(o=-3.4!,f=-3.9!) USER MOD Set 2.1: A 80 SER OG : rot -65:sc= -0.343 USER MOD Set 2.2: A 83 GLN : amide:sc= 1.15 K(o=0.81,f=-4.3!) USER MOD Set 3.1: A 65 SER OG : rot -140:sc= 0.499 USER MOD Set 3.2: A 69 SER OG : rot 167:sc= 0.756 USER MOD Set 4.1: A 29 GLN : amide:sc= 1.11 X(o=2.1,f=1.8) USER MOD Set 4.2: A 33 THR OG1 : rot -175:sc= 0.991 USER MOD Set 5.1: A 19 SER OG : rot 67:sc= 0.945 USER MOD Set 5.2: A 20 GLN : amide:sc= -0.109 X(o=0.84,f=0.83) USER MOD Set 6.1: A 13 HIS : no HE2:sc= -5.97! C(o=-6.6!,f=-5.2!) USER MOD Set 6.2: A 67 CYS SG : rot 140:sc= -0.582 USER MOD Set 7.1: A 12 SER OG : rot 62:sc= 0.0313 USER MOD Set 7.2: A 116 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0422 (180deg=0) USER MOD Single : A 2 SER OG : rot -96:sc= 0.354 USER MOD Single : A 3 HIS : no HD1:sc=-0.00055 X(o=-0.00055,f=-0.0068) USER MOD Single : A 4 MET CE :methyl 168:sc= -0.0062 (180deg=-0.181) USER MOD Single : A 11 CYS SG : rot -176:sc= -4.24! USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 1.11 (180deg=0.947) USER MOD Single : A 18 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.6) USER MOD Single : A 21 SER OG : rot -97:sc= 1.23 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -170:sc= 1.03 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc=-0.00917 (180deg=-0.123) USER MOD Single : A 35 THR OG1 : rot -105:sc= 0.17 USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0.677 (180deg=0.56) USER MOD Single : A 44 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.88) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0.824 (180deg=0.806) USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= -1.49 (180deg=-2.87!) USER MOD Single : A 52 SER OG : rot -30:sc= 0.0219 USER MOD Single : A 59 SER OG : rot 70:sc= 1.12 USER MOD Single : A 62 SER OG : rot 63:sc= 0.975 USER MOD Single : A 63 GLN : amide:sc= -0.984 K(o=-0.98,f=0) USER MOD Single : A 68 SER OG : rot -28:sc= 0.228 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.0296 (180deg=-0.258) USER MOD Single : A 84 MET CE :methyl 175:sc= -1.01 (180deg=-1.18) USER MOD Single : A 85 GLN : amide:sc= 1.19 K(o=1.2,f=-2.7) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 77:sc= -0.537! USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 156:sc= -0.189 (180deg=-1.61) USER MOD Single : A 101 SER OG : rot 170:sc= -0.173 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.984 -26.418 -0.057 1.00 13.51 N ATOM 2 CA GLY A 1 -16.989 -25.351 -0.248 1.00 21.15 C ATOM 3 C GLY A 1 -16.358 -23.986 -0.217 1.00 14.44 C ATOM 4 O GLY A 1 -15.217 -23.820 -0.654 1.00 3.12 O ATOM 0 H1 GLY A 1 -16.179 -27.200 -0.714 1.00 13.51 H new ATOM 0 H2 GLY A 1 -15.034 -26.038 -0.243 1.00 13.51 H new ATOM 0 H3 GLY A 1 -16.031 -26.768 0.921 1.00 13.51 H new ATOM 0 HA2 GLY A 1 -17.498 -25.496 -1.201 1.00 21.15 H new ATOM 0 HA3 GLY A 1 -17.747 -25.420 0.532 1.00 21.15 H new ATOM 10 N SER A 2 -17.084 -23.011 0.298 1.00 50.43 N ATOM 11 CA SER A 2 -16.578 -21.659 0.398 1.00 4.33 C ATOM 12 C SER A 2 -15.606 -21.555 1.570 1.00 32.23 C ATOM 13 O SER A 2 -15.843 -22.128 2.639 1.00 33.54 O ATOM 14 CB SER A 2 -17.739 -20.669 0.576 1.00 23.13 C ATOM 15 OG SER A 2 -17.290 -19.324 0.505 1.00 53.30 O ATOM 0 H SER A 2 -18.032 -23.134 0.655 1.00 50.43 H new ATOM 0 HA SER A 2 -16.049 -21.409 -0.522 1.00 4.33 H new ATOM 0 HB2 SER A 2 -18.490 -20.844 -0.195 1.00 23.13 H new ATOM 0 HB3 SER A 2 -18.222 -20.842 1.537 1.00 23.13 H new ATOM 0 HG SER A 2 -17.139 -18.981 1.411 1.00 53.30 H new ATOM 21 N HIS A 3 -14.506 -20.861 1.360 1.00 51.02 N ATOM 22 CA HIS A 3 -13.511 -20.675 2.402 1.00 1.53 C ATOM 23 C HIS A 3 -13.509 -19.237 2.894 1.00 55.03 C ATOM 24 O HIS A 3 -13.280 -18.299 2.116 1.00 60.11 O ATOM 25 CB HIS A 3 -12.109 -21.060 1.904 1.00 41.33 C ATOM 26 CG HIS A 3 -11.917 -22.533 1.679 1.00 71.14 C ATOM 27 ND1 HIS A 3 -11.161 -23.329 2.510 1.00 72.00 N ATOM 28 CD2 HIS A 3 -12.381 -23.351 0.706 1.00 43.23 C ATOM 29 CE1 HIS A 3 -11.170 -24.566 2.063 1.00 43.21 C ATOM 30 NE2 HIS A 3 -11.903 -24.610 0.969 1.00 21.44 N ATOM 0 H HIS A 3 -14.276 -20.413 0.473 1.00 51.02 H new ATOM 0 HA HIS A 3 -13.775 -21.331 3.231 1.00 1.53 H new ATOM 0 HB2 HIS A 3 -11.910 -20.533 0.971 1.00 41.33 H new ATOM 0 HB3 HIS A 3 -11.371 -20.716 2.629 1.00 41.33 H new ATOM 0 HD2 HIS A 3 -13.011 -23.066 -0.124 1.00 43.23 H new ATOM 0 HE1 HIS A 3 -10.662 -25.404 2.516 1.00 43.21 H new ATOM 0 HE2 HIS A 3 -12.085 -25.443 0.409 1.00 21.44 H new ATOM 39 N MET A 4 -13.783 -19.061 4.169 1.00 10.04 N ATOM 40 CA MET A 4 -13.774 -17.746 4.780 1.00 70.04 C ATOM 41 C MET A 4 -12.462 -17.523 5.507 1.00 62.52 C ATOM 42 O MET A 4 -12.109 -18.288 6.410 1.00 63.02 O ATOM 43 CB MET A 4 -14.961 -17.573 5.738 1.00 54.23 C ATOM 44 CG MET A 4 -16.249 -17.098 5.063 1.00 73.14 C ATOM 45 SD MET A 4 -16.841 -18.208 3.761 1.00 4.54 S ATOM 46 CE MET A 4 -17.280 -19.661 4.716 1.00 30.43 C ATOM 0 H MET A 4 -14.017 -19.820 4.809 1.00 10.04 H new ATOM 0 HA MET A 4 -13.873 -16.999 3.993 1.00 70.04 H new ATOM 0 HB2 MET A 4 -15.154 -18.524 6.235 1.00 54.23 H new ATOM 0 HB3 MET A 4 -14.686 -16.858 6.514 1.00 54.23 H new ATOM 0 HG2 MET A 4 -17.027 -16.992 5.819 1.00 73.14 H new ATOM 0 HG3 MET A 4 -16.082 -16.109 4.637 1.00 73.14 H new ATOM 0 HE1 MET A 4 -17.853 -20.347 4.092 1.00 30.43 H new ATOM 0 HE2 MET A 4 -16.373 -20.157 5.062 1.00 30.43 H new ATOM 0 HE3 MET A 4 -17.881 -19.364 5.575 1.00 30.43 H new ATOM 56 N GLU A 5 -11.742 -16.480 5.091 1.00 51.41 N ATOM 57 CA GLU A 5 -10.431 -16.134 5.640 1.00 14.14 C ATOM 58 C GLU A 5 -9.389 -17.191 5.273 1.00 41.25 C ATOM 59 O GLU A 5 -9.281 -18.227 5.930 1.00 35.15 O ATOM 60 CB GLU A 5 -10.486 -15.938 7.161 1.00 42.03 C ATOM 61 CG GLU A 5 -9.186 -15.424 7.759 1.00 71.52 C ATOM 62 CD GLU A 5 -9.257 -15.274 9.257 1.00 53.12 C ATOM 63 OE1 GLU A 5 -8.945 -16.251 9.973 1.00 23.15 O ATOM 64 OE2 GLU A 5 -9.621 -14.176 9.735 1.00 35.12 O ATOM 0 H GLU A 5 -12.056 -15.846 4.356 1.00 51.41 H new ATOM 0 HA GLU A 5 -10.134 -15.185 5.194 1.00 14.14 H new ATOM 0 HB2 GLU A 5 -11.287 -15.238 7.399 1.00 42.03 H new ATOM 0 HB3 GLU A 5 -10.742 -16.887 7.632 1.00 42.03 H new ATOM 0 HG2 GLU A 5 -8.377 -16.109 7.504 1.00 71.52 H new ATOM 0 HG3 GLU A 5 -8.941 -14.461 7.312 1.00 71.52 H new ATOM 71 N PRO A 6 -8.631 -16.954 4.194 1.00 4.23 N ATOM 72 CA PRO A 6 -7.587 -17.875 3.746 1.00 73.41 C ATOM 73 C PRO A 6 -6.389 -17.865 4.689 1.00 22.50 C ATOM 74 O PRO A 6 -6.186 -16.913 5.437 1.00 41.03 O ATOM 75 CB PRO A 6 -7.177 -17.326 2.364 1.00 71.41 C ATOM 76 CG PRO A 6 -8.206 -16.298 2.022 1.00 21.20 C ATOM 77 CD PRO A 6 -8.729 -15.781 3.325 1.00 54.11 C ATOM 0 HA PRO A 6 -7.938 -18.906 3.716 1.00 73.41 H new ATOM 0 HB2 PRO A 6 -6.180 -16.887 2.396 1.00 71.41 H new ATOM 0 HB3 PRO A 6 -7.152 -18.120 1.618 1.00 71.41 H new ATOM 0 HG2 PRO A 6 -7.770 -15.493 1.431 1.00 21.20 H new ATOM 0 HG3 PRO A 6 -9.008 -16.733 1.426 1.00 21.20 H new ATOM 0 HD2 PRO A 6 -8.134 -14.948 3.699 1.00 54.11 H new ATOM 0 HD3 PRO A 6 -9.756 -15.425 3.238 1.00 54.11 H new ATOM 85 N ALA A 7 -5.606 -18.925 4.655 1.00 62.02 N ATOM 86 CA ALA A 7 -4.423 -19.017 5.490 1.00 55.44 C ATOM 87 C ALA A 7 -3.262 -18.276 4.844 1.00 51.13 C ATOM 88 O ALA A 7 -2.391 -17.738 5.528 1.00 12.42 O ATOM 89 CB ALA A 7 -4.058 -20.473 5.736 1.00 14.13 C ATOM 0 H ALA A 7 -5.767 -19.736 4.058 1.00 62.02 H new ATOM 0 HA ALA A 7 -4.638 -18.551 6.451 1.00 55.44 H new ATOM 0 HB1 ALA A 7 -3.169 -20.524 6.364 1.00 14.13 H new ATOM 0 HB2 ALA A 7 -4.885 -20.976 6.237 1.00 14.13 H new ATOM 0 HB3 ALA A 7 -3.858 -20.964 4.784 1.00 14.13 H new ATOM 95 N ARG A 8 -3.256 -18.252 3.523 1.00 20.54 N ATOM 96 CA ARG A 8 -2.218 -17.565 2.775 1.00 5.22 C ATOM 97 C ARG A 8 -2.837 -16.727 1.675 1.00 52.32 C ATOM 98 O ARG A 8 -3.699 -17.203 0.931 1.00 62.50 O ATOM 99 CB ARG A 8 -1.226 -18.568 2.177 1.00 53.21 C ATOM 100 CG ARG A 8 -0.524 -19.424 3.213 1.00 53.21 C ATOM 101 CD ARG A 8 0.467 -20.375 2.574 1.00 54.42 C ATOM 102 NE ARG A 8 1.101 -21.237 3.567 1.00 72.23 N ATOM 103 CZ ARG A 8 2.349 -21.695 3.487 1.00 70.23 C ATOM 104 NH1 ARG A 8 3.133 -21.335 2.476 1.00 45.52 N ATOM 105 NH2 ARG A 8 2.817 -22.500 4.429 1.00 51.13 N ATOM 0 H ARG A 8 -3.963 -18.704 2.943 1.00 20.54 H new ATOM 0 HA ARG A 8 -1.677 -16.911 3.459 1.00 5.22 H new ATOM 0 HB2 ARG A 8 -1.756 -19.218 1.480 1.00 53.21 H new ATOM 0 HB3 ARG A 8 -0.478 -18.025 1.600 1.00 53.21 H new ATOM 0 HG2 ARG A 8 -0.005 -18.782 3.925 1.00 53.21 H new ATOM 0 HG3 ARG A 8 -1.263 -19.993 3.777 1.00 53.21 H new ATOM 0 HD2 ARG A 8 -0.043 -20.988 1.831 1.00 54.42 H new ATOM 0 HD3 ARG A 8 1.231 -19.805 2.046 1.00 54.42 H new ATOM 0 HE ARG A 8 0.549 -21.508 4.380 1.00 72.23 H new ATOM 0 HH11 ARG A 8 2.780 -20.705 1.756 1.00 45.52 H new ATOM 0 HH12 ARG A 8 4.088 -21.689 2.420 1.00 45.52 H new ATOM 0 HH21 ARG A 8 2.222 -22.768 5.213 1.00 51.13 H new ATOM 0 HH22 ARG A 8 3.772 -22.852 4.370 1.00 51.13 H new ATOM 119 N VAL A 9 -2.412 -15.489 1.573 1.00 61.43 N ATOM 120 CA VAL A 9 -2.934 -14.589 0.560 1.00 22.20 C ATOM 121 C VAL A 9 -1.808 -13.979 -0.252 1.00 72.42 C ATOM 122 O VAL A 9 -0.650 -13.981 0.175 1.00 22.05 O ATOM 123 CB VAL A 9 -3.794 -13.452 1.173 1.00 75.14 C ATOM 124 CG1 VAL A 9 -5.066 -14.010 1.793 1.00 73.33 C ATOM 125 CG2 VAL A 9 -2.997 -12.664 2.204 1.00 70.00 C ATOM 0 H VAL A 9 -1.703 -15.077 2.180 1.00 61.43 H new ATOM 0 HA VAL A 9 -3.572 -15.189 -0.089 1.00 22.20 H new ATOM 0 HB VAL A 9 -4.076 -12.773 0.368 1.00 75.14 H new ATOM 0 HG11 VAL A 9 -5.653 -13.195 2.216 1.00 73.33 H new ATOM 0 HG12 VAL A 9 -5.651 -14.519 1.027 1.00 73.33 H new ATOM 0 HG13 VAL A 9 -4.807 -14.717 2.581 1.00 73.33 H new ATOM 0 HG21 VAL A 9 -3.621 -11.873 2.619 1.00 70.00 H new ATOM 0 HG22 VAL A 9 -2.677 -13.331 3.004 1.00 70.00 H new ATOM 0 HG23 VAL A 9 -2.121 -12.223 1.728 1.00 70.00 H new ATOM 135 N ARG A 10 -2.144 -13.482 -1.425 1.00 2.40 N ATOM 136 CA ARG A 10 -1.181 -12.818 -2.276 1.00 2.35 C ATOM 137 C ARG A 10 -1.787 -11.550 -2.831 1.00 53.33 C ATOM 138 O ARG A 10 -2.665 -11.588 -3.689 1.00 1.33 O ATOM 139 CB ARG A 10 -0.730 -13.728 -3.417 1.00 42.45 C ATOM 140 CG ARG A 10 0.331 -13.095 -4.299 1.00 40.10 C ATOM 141 CD ARG A 10 0.810 -14.047 -5.370 1.00 1.41 C ATOM 142 NE ARG A 10 1.938 -13.496 -6.117 1.00 22.53 N ATOM 143 CZ ARG A 10 2.604 -14.151 -7.066 1.00 43.41 C ATOM 144 NH1 ARG A 10 2.226 -15.373 -7.429 1.00 55.30 N ATOM 145 NH2 ARG A 10 3.643 -13.579 -7.654 1.00 61.32 N ATOM 0 H ARG A 10 -3.087 -13.527 -1.812 1.00 2.40 H new ATOM 0 HA ARG A 10 -0.303 -12.573 -1.678 1.00 2.35 H new ATOM 0 HB2 ARG A 10 -0.341 -14.657 -3.001 1.00 42.45 H new ATOM 0 HB3 ARG A 10 -1.594 -13.990 -4.028 1.00 42.45 H new ATOM 0 HG2 ARG A 10 -0.073 -12.196 -4.765 1.00 40.10 H new ATOM 0 HG3 ARG A 10 1.176 -12.784 -3.685 1.00 40.10 H new ATOM 0 HD2 ARG A 10 1.103 -14.992 -4.912 1.00 1.41 H new ATOM 0 HD3 ARG A 10 -0.009 -14.265 -6.056 1.00 1.41 H new ATOM 0 HE ARG A 10 2.236 -12.546 -5.897 1.00 22.53 H new ATOM 0 HH11 ARG A 10 1.423 -15.813 -6.980 1.00 55.30 H new ATOM 0 HH12 ARG A 10 2.739 -15.871 -8.156 1.00 55.30 H new ATOM 0 HH21 ARG A 10 3.931 -12.640 -7.380 1.00 61.32 H new ATOM 0 HH22 ARG A 10 4.156 -14.078 -8.381 1.00 61.32 H new ATOM 159 N CYS A 11 -1.331 -10.434 -2.348 1.00 30.03 N ATOM 160 CA CYS A 11 -1.880 -9.174 -2.763 1.00 13.41 C ATOM 161 C CYS A 11 -0.783 -8.222 -3.187 1.00 74.11 C ATOM 162 O CYS A 11 0.394 -8.447 -2.909 1.00 74.41 O ATOM 163 CB CYS A 11 -2.696 -8.569 -1.621 1.00 54.31 C ATOM 164 SG CYS A 11 -3.932 -9.695 -0.928 1.00 71.32 S ATOM 0 H CYS A 11 -0.578 -10.368 -1.664 1.00 30.03 H new ATOM 0 HA CYS A 11 -2.531 -9.341 -3.621 1.00 13.41 H new ATOM 0 HB2 CYS A 11 -2.017 -8.257 -0.827 1.00 54.31 H new ATOM 0 HB3 CYS A 11 -3.198 -7.671 -1.982 1.00 54.31 H new ATOM 0 HG CYS A 11 -4.629 -9.071 -0.025 1.00 71.32 H new ATOM 170 N SER A 12 -1.168 -7.182 -3.875 1.00 70.33 N ATOM 171 CA SER A 12 -0.251 -6.162 -4.289 1.00 33.14 C ATOM 172 C SER A 12 -0.276 -5.041 -3.259 1.00 52.05 C ATOM 173 O SER A 12 -1.349 -4.632 -2.807 1.00 44.41 O ATOM 174 CB SER A 12 -0.643 -5.650 -5.669 1.00 51.14 C ATOM 175 OG SER A 12 -0.807 -6.732 -6.573 1.00 62.21 O ATOM 0 H SER A 12 -2.133 -7.020 -4.164 1.00 70.33 H new ATOM 0 HA SER A 12 0.761 -6.561 -4.355 1.00 33.14 H new ATOM 0 HB2 SER A 12 -1.570 -5.081 -5.602 1.00 51.14 H new ATOM 0 HB3 SER A 12 0.123 -4.970 -6.042 1.00 51.14 H new ATOM 0 HG SER A 12 -1.533 -7.312 -6.261 1.00 62.21 H new ATOM 181 N HIS A 13 0.889 -4.555 -2.877 1.00 44.11 N ATOM 182 CA HIS A 13 0.968 -3.549 -1.835 1.00 50.44 C ATOM 183 C HIS A 13 1.782 -2.331 -2.257 1.00 1.13 C ATOM 184 O HIS A 13 2.956 -2.440 -2.629 1.00 31.21 O ATOM 185 CB HIS A 13 1.512 -4.154 -0.516 1.00 4.45 C ATOM 186 CG HIS A 13 2.945 -4.638 -0.558 1.00 60.45 C ATOM 187 ND1 HIS A 13 3.810 -4.509 0.508 1.00 74.13 N ATOM 188 CD2 HIS A 13 3.648 -5.274 -1.526 1.00 75.42 C ATOM 189 CE1 HIS A 13 4.976 -5.038 0.195 1.00 23.31 C ATOM 190 NE2 HIS A 13 4.904 -5.509 -1.030 1.00 61.43 N ATOM 0 H HIS A 13 1.787 -4.837 -3.269 1.00 44.11 H new ATOM 0 HA HIS A 13 -0.049 -3.200 -1.659 1.00 50.44 H new ATOM 0 HB2 HIS A 13 1.424 -3.404 0.270 1.00 4.45 H new ATOM 0 HB3 HIS A 13 0.874 -4.990 -0.231 1.00 4.45 H new ATOM 0 HD1 HIS A 13 3.583 -4.072 1.401 1.00 74.13 H new ATOM 0 HD2 HIS A 13 3.286 -5.545 -2.507 1.00 75.42 H new ATOM 0 HE1 HIS A 13 5.844 -5.078 0.837 1.00 23.31 H new ATOM 199 N LEU A 14 1.143 -1.183 -2.202 1.00 34.44 N ATOM 200 CA LEU A 14 1.785 0.084 -2.503 1.00 63.41 C ATOM 201 C LEU A 14 2.061 0.800 -1.183 1.00 52.54 C ATOM 202 O LEU A 14 1.232 0.757 -0.274 1.00 51.15 O ATOM 203 CB LEU A 14 0.864 0.924 -3.420 1.00 64.24 C ATOM 204 CG LEU A 14 1.452 2.216 -4.018 1.00 44.20 C ATOM 205 CD1 LEU A 14 0.693 2.602 -5.277 1.00 62.20 C ATOM 206 CD2 LEU A 14 1.386 3.356 -3.015 1.00 73.03 C ATOM 0 H LEU A 14 0.159 -1.099 -1.946 1.00 34.44 H new ATOM 0 HA LEU A 14 2.727 -0.069 -3.030 1.00 63.41 H new ATOM 0 HB2 LEU A 14 0.538 0.289 -4.244 1.00 64.24 H new ATOM 0 HB3 LEU A 14 -0.027 1.190 -2.851 1.00 64.24 H new ATOM 0 HG LEU A 14 2.497 2.029 -4.266 1.00 44.20 H new ATOM 0 HD11 LEU A 14 1.117 3.517 -5.691 1.00 62.20 H new ATOM 0 HD12 LEU A 14 0.773 1.800 -6.011 1.00 62.20 H new ATOM 0 HD13 LEU A 14 -0.357 2.767 -5.033 1.00 62.20 H new ATOM 0 HD21 LEU A 14 1.807 4.257 -3.460 1.00 73.03 H new ATOM 0 HD22 LEU A 14 0.347 3.539 -2.739 1.00 73.03 H new ATOM 0 HD23 LEU A 14 1.956 3.091 -2.125 1.00 73.03 H new ATOM 218 N LEU A 15 3.223 1.420 -1.062 1.00 60.24 N ATOM 219 CA LEU A 15 3.598 2.091 0.179 1.00 35.01 C ATOM 220 C LEU A 15 4.069 3.517 -0.060 1.00 70.04 C ATOM 221 O LEU A 15 4.951 3.759 -0.868 1.00 34.31 O ATOM 222 CB LEU A 15 4.695 1.289 0.908 1.00 24.22 C ATOM 223 CG LEU A 15 5.468 2.030 2.022 1.00 51.35 C ATOM 224 CD1 LEU A 15 4.534 2.530 3.113 1.00 73.12 C ATOM 225 CD2 LEU A 15 6.540 1.128 2.614 1.00 70.43 C ATOM 0 H LEU A 15 3.923 1.475 -1.802 1.00 60.24 H new ATOM 0 HA LEU A 15 2.706 2.140 0.803 1.00 35.01 H new ATOM 0 HB2 LEU A 15 4.236 0.402 1.344 1.00 24.22 H new ATOM 0 HB3 LEU A 15 5.415 0.943 0.166 1.00 24.22 H new ATOM 0 HG LEU A 15 5.947 2.899 1.571 1.00 51.35 H new ATOM 0 HD11 LEU A 15 5.113 3.046 3.879 1.00 73.12 H new ATOM 0 HD12 LEU A 15 3.807 3.219 2.682 1.00 73.12 H new ATOM 0 HD13 LEU A 15 4.012 1.684 3.561 1.00 73.12 H new ATOM 0 HD21 LEU A 15 7.075 1.665 3.397 1.00 70.43 H new ATOM 0 HD22 LEU A 15 6.074 0.238 3.037 1.00 70.43 H new ATOM 0 HD23 LEU A 15 7.240 0.834 1.832 1.00 70.43 H new ATOM 237 N VAL A 16 3.462 4.447 0.648 1.00 74.24 N ATOM 238 CA VAL A 16 3.878 5.833 0.616 1.00 54.23 C ATOM 239 C VAL A 16 4.158 6.301 2.040 1.00 11.34 C ATOM 240 O VAL A 16 3.237 6.433 2.859 1.00 32.31 O ATOM 241 CB VAL A 16 2.814 6.754 -0.042 1.00 52.32 C ATOM 242 CG1 VAL A 16 3.272 8.204 -0.026 1.00 45.41 C ATOM 243 CG2 VAL A 16 2.531 6.313 -1.468 1.00 61.44 C ATOM 0 H VAL A 16 2.668 4.263 1.261 1.00 74.24 H new ATOM 0 HA VAL A 16 4.780 5.899 0.007 1.00 54.23 H new ATOM 0 HB VAL A 16 1.895 6.673 0.538 1.00 52.32 H new ATOM 0 HG11 VAL A 16 2.512 8.831 -0.492 1.00 45.41 H new ATOM 0 HG12 VAL A 16 3.426 8.525 1.004 1.00 45.41 H new ATOM 0 HG13 VAL A 16 4.207 8.296 -0.579 1.00 45.41 H new ATOM 0 HG21 VAL A 16 1.783 6.971 -1.911 1.00 61.44 H new ATOM 0 HG22 VAL A 16 3.449 6.362 -2.053 1.00 61.44 H new ATOM 0 HG23 VAL A 16 2.157 5.289 -1.465 1.00 61.44 H new ATOM 253 N LYS A 17 5.428 6.498 2.346 1.00 25.22 N ATOM 254 CA LYS A 17 5.843 6.934 3.668 1.00 14.24 C ATOM 255 C LYS A 17 5.652 8.437 3.830 1.00 32.51 C ATOM 256 O LYS A 17 5.273 9.139 2.885 1.00 11.14 O ATOM 257 CB LYS A 17 7.312 6.583 3.922 1.00 64.43 C ATOM 258 CG LYS A 17 7.657 5.111 3.775 1.00 64.14 C ATOM 259 CD LYS A 17 9.134 4.875 4.060 1.00 31.50 C ATOM 260 CE LYS A 17 9.551 3.448 3.751 1.00 71.54 C ATOM 261 NZ LYS A 17 10.983 3.213 4.068 1.00 41.32 N ATOM 0 H LYS A 17 6.197 6.361 1.690 1.00 25.22 H new ATOM 0 HA LYS A 17 5.219 6.414 4.394 1.00 14.24 H new ATOM 0 HB2 LYS A 17 7.931 7.156 3.232 1.00 64.43 H new ATOM 0 HB3 LYS A 17 7.577 6.904 4.929 1.00 64.43 H new ATOM 0 HG2 LYS A 17 7.050 4.520 4.460 1.00 64.14 H new ATOM 0 HG3 LYS A 17 7.418 4.775 2.766 1.00 64.14 H new ATOM 0 HD2 LYS A 17 9.733 5.565 3.465 1.00 31.50 H new ATOM 0 HD3 LYS A 17 9.341 5.095 5.107 1.00 31.50 H new ATOM 0 HE2 LYS A 17 8.933 2.756 4.324 1.00 71.54 H new ATOM 0 HE3 LYS A 17 9.372 3.237 2.697 1.00 71.54 H new ATOM 0 HZ1 LYS A 17 11.302 2.338 3.605 1.00 41.32 H new ATOM 0 HZ2 LYS A 17 11.551 4.014 3.724 1.00 41.32 H new ATOM 0 HZ3 LYS A 17 11.100 3.122 5.097 1.00 41.32 H new ATOM 275 N HIS A 18 5.936 8.925 5.023 1.00 44.44 N ATOM 276 CA HIS A 18 5.808 10.339 5.326 1.00 60.14 C ATOM 277 C HIS A 18 7.094 10.876 5.942 1.00 23.11 C ATOM 278 O HIS A 18 7.855 10.124 6.553 1.00 60.04 O ATOM 279 CB HIS A 18 4.586 10.617 6.233 1.00 62.10 C ATOM 280 CG HIS A 18 4.535 9.821 7.512 1.00 53.25 C ATOM 281 ND1 HIS A 18 4.566 10.396 8.763 1.00 24.40 N ATOM 282 CD2 HIS A 18 4.411 8.489 7.722 1.00 20.03 C ATOM 283 CE1 HIS A 18 4.463 9.453 9.681 1.00 4.15 C ATOM 284 NE2 HIS A 18 4.367 8.289 9.076 1.00 1.50 N ATOM 0 H HIS A 18 6.260 8.357 5.806 1.00 44.44 H new ATOM 0 HA HIS A 18 5.637 10.869 4.389 1.00 60.14 H new ATOM 0 HB2 HIS A 18 4.576 11.678 6.484 1.00 62.10 H new ATOM 0 HB3 HIS A 18 3.679 10.416 5.663 1.00 62.10 H new ATOM 0 HD2 HIS A 18 4.357 7.725 6.961 1.00 20.03 H new ATOM 0 HE1 HIS A 18 4.458 9.611 10.749 1.00 4.15 H new ATOM 0 HE2 HIS A 18 4.275 7.385 9.540 1.00 1.50 H new ATOM 293 N SER A 19 7.322 12.174 5.759 1.00 74.05 N ATOM 294 CA SER A 19 8.533 12.859 6.216 1.00 70.12 C ATOM 295 C SER A 19 8.877 12.540 7.674 1.00 11.04 C ATOM 296 O SER A 19 9.903 11.929 7.952 1.00 52.32 O ATOM 297 CB SER A 19 8.384 14.376 6.025 1.00 23.13 C ATOM 298 OG SER A 19 9.615 15.045 6.245 1.00 13.32 O ATOM 0 H SER A 19 6.663 12.790 5.283 1.00 74.05 H new ATOM 0 HA SER A 19 9.359 12.491 5.607 1.00 70.12 H new ATOM 0 HB2 SER A 19 8.029 14.585 5.016 1.00 23.13 H new ATOM 0 HB3 SER A 19 7.631 14.759 6.713 1.00 23.13 H new ATOM 0 HG SER A 19 10.253 14.795 5.544 1.00 13.32 H new ATOM 304 N GLN A 20 8.031 12.951 8.594 1.00 44.23 N ATOM 305 CA GLN A 20 8.294 12.711 9.999 1.00 25.42 C ATOM 306 C GLN A 20 7.823 11.324 10.405 1.00 12.14 C ATOM 307 O GLN A 20 6.693 11.147 10.853 1.00 33.14 O ATOM 308 CB GLN A 20 7.638 13.782 10.876 1.00 42.23 C ATOM 309 CG GLN A 20 8.079 15.208 10.558 1.00 3.02 C ATOM 310 CD GLN A 20 9.588 15.384 10.599 1.00 72.42 C ATOM 311 OE1 GLN A 20 10.167 15.670 11.647 1.00 73.13 O ATOM 312 NE2 GLN A 20 10.230 15.239 9.457 1.00 20.41 N ATOM 0 H GLN A 20 7.162 13.449 8.399 1.00 44.23 H new ATOM 0 HA GLN A 20 9.372 12.767 10.151 1.00 25.42 H new ATOM 0 HB2 GLN A 20 6.556 13.715 10.764 1.00 42.23 H new ATOM 0 HB3 GLN A 20 7.864 13.568 11.921 1.00 42.23 H new ATOM 0 HG2 GLN A 20 7.713 15.484 9.569 1.00 3.02 H new ATOM 0 HG3 GLN A 20 7.619 15.893 11.271 1.00 3.02 H new ATOM 0 HE21 GLN A 20 9.715 15.002 8.609 1.00 20.41 H new ATOM 0 HE22 GLN A 20 11.242 15.364 9.421 1.00 20.41 H new ATOM 321 N SER A 21 8.681 10.344 10.206 1.00 23.35 N ATOM 322 CA SER A 21 8.381 8.970 10.556 1.00 64.22 C ATOM 323 C SER A 21 9.610 8.302 11.159 1.00 41.22 C ATOM 324 O SER A 21 10.663 8.939 11.298 1.00 22.31 O ATOM 325 CB SER A 21 7.916 8.202 9.315 1.00 61.02 C ATOM 326 OG SER A 21 8.880 8.279 8.276 1.00 63.04 O ATOM 0 H SER A 21 9.606 10.477 9.797 1.00 23.35 H new ATOM 0 HA SER A 21 7.580 8.961 11.295 1.00 64.22 H new ATOM 0 HB2 SER A 21 7.739 7.158 9.575 1.00 61.02 H new ATOM 0 HB3 SER A 21 6.967 8.609 8.966 1.00 61.02 H new ATOM 0 HG SER A 21 8.634 8.995 7.654 1.00 63.04 H new ATOM 332 N ARG A 22 9.480 7.025 11.511 1.00 34.02 N ATOM 333 CA ARG A 22 10.589 6.266 12.085 1.00 61.12 C ATOM 334 C ARG A 22 11.734 6.096 11.082 1.00 10.43 C ATOM 335 O ARG A 22 12.883 5.881 11.471 1.00 0.32 O ATOM 336 CB ARG A 22 10.114 4.895 12.602 1.00 34.22 C ATOM 337 CG ARG A 22 9.396 4.039 11.564 1.00 70.13 C ATOM 338 CD ARG A 22 9.033 2.665 12.122 1.00 73.35 C ATOM 339 NE ARG A 22 8.244 2.750 13.362 1.00 73.51 N ATOM 340 CZ ARG A 22 7.705 1.692 13.993 1.00 54.23 C ATOM 341 NH1 ARG A 22 7.818 0.470 13.474 1.00 54.44 N ATOM 342 NH2 ARG A 22 7.042 1.864 15.129 1.00 44.21 N ATOM 0 H ARG A 22 8.616 6.493 11.409 1.00 34.02 H new ATOM 0 HA ARG A 22 10.969 6.838 12.931 1.00 61.12 H new ATOM 0 HB2 ARG A 22 10.977 4.343 12.975 1.00 34.22 H new ATOM 0 HB3 ARG A 22 9.446 5.052 13.449 1.00 34.22 H new ATOM 0 HG2 ARG A 22 8.491 4.549 11.234 1.00 70.13 H new ATOM 0 HG3 ARG A 22 10.032 3.920 10.687 1.00 70.13 H new ATOM 0 HD2 ARG A 22 8.468 2.110 11.373 1.00 73.35 H new ATOM 0 HD3 ARG A 22 9.946 2.102 12.314 1.00 73.35 H new ATOM 0 HE ARG A 22 8.096 3.673 13.770 1.00 73.51 H new ATOM 0 HH11 ARG A 22 8.315 0.334 12.594 1.00 54.44 H new ATOM 0 HH12 ARG A 22 7.407 -0.329 13.957 1.00 54.44 H new ATOM 0 HH21 ARG A 22 6.941 2.799 15.524 1.00 44.21 H new ATOM 0 HH22 ARG A 22 6.633 1.061 15.607 1.00 44.21 H new ATOM 356 N ARG A 23 11.422 6.198 9.797 1.00 12.33 N ATOM 357 CA ARG A 23 12.435 6.075 8.766 1.00 73.22 C ATOM 358 C ARG A 23 12.029 6.860 7.518 1.00 41.44 C ATOM 359 O ARG A 23 11.367 6.328 6.623 1.00 22.44 O ATOM 360 CB ARG A 23 12.679 4.606 8.415 1.00 23.50 C ATOM 361 CG ARG A 23 13.962 4.364 7.637 1.00 75.23 C ATOM 362 CD ARG A 23 15.187 4.701 8.478 1.00 10.04 C ATOM 363 NE ARG A 23 16.436 4.501 7.745 1.00 43.22 N ATOM 364 CZ ARG A 23 17.653 4.707 8.264 1.00 44.05 C ATOM 365 NH1 ARG A 23 17.787 5.089 9.532 1.00 3.32 N ATOM 366 NH2 ARG A 23 18.731 4.522 7.518 1.00 53.32 N ATOM 0 H ARG A 23 10.478 6.365 9.448 1.00 12.33 H new ATOM 0 HA ARG A 23 13.364 6.493 9.153 1.00 73.22 H new ATOM 0 HB2 ARG A 23 12.708 4.023 9.335 1.00 23.50 H new ATOM 0 HB3 ARG A 23 11.836 4.237 7.830 1.00 23.50 H new ATOM 0 HG2 ARG A 23 14.009 3.321 7.323 1.00 75.23 H new ATOM 0 HG3 ARG A 23 13.961 4.970 6.731 1.00 75.23 H new ATOM 0 HD2 ARG A 23 15.124 5.738 8.808 1.00 10.04 H new ATOM 0 HD3 ARG A 23 15.191 4.081 9.374 1.00 10.04 H new ATOM 0 HE ARG A 23 16.377 4.185 6.777 1.00 43.22 H new ATOM 0 HH11 ARG A 23 16.960 5.226 10.113 1.00 3.32 H new ATOM 0 HH12 ARG A 23 18.716 5.244 9.922 1.00 3.32 H new ATOM 0 HH21 ARG A 23 18.635 4.223 6.548 1.00 53.32 H new ATOM 0 HH22 ARG A 23 19.658 4.679 7.914 1.00 53.32 H new ATOM 380 N PRO A 24 12.418 8.143 7.454 1.00 72.45 N ATOM 381 CA PRO A 24 12.088 9.037 6.335 1.00 44.34 C ATOM 382 C PRO A 24 12.991 8.815 5.123 1.00 31.31 C ATOM 383 O PRO A 24 13.498 9.772 4.530 1.00 14.34 O ATOM 384 CB PRO A 24 12.341 10.443 6.916 1.00 52.43 C ATOM 385 CG PRO A 24 12.693 10.237 8.359 1.00 64.22 C ATOM 386 CD PRO A 24 13.199 8.838 8.470 1.00 30.43 C ATOM 0 HA PRO A 24 11.071 8.873 5.977 1.00 44.34 H new ATOM 0 HB2 PRO A 24 13.150 10.945 6.385 1.00 52.43 H new ATOM 0 HB3 PRO A 24 11.456 11.071 6.816 1.00 52.43 H new ATOM 0 HG2 PRO A 24 13.451 10.951 8.680 1.00 64.22 H new ATOM 0 HG3 PRO A 24 11.822 10.387 8.997 1.00 64.22 H new ATOM 0 HD2 PRO A 24 14.269 8.776 8.273 1.00 30.43 H new ATOM 0 HD3 PRO A 24 13.033 8.423 9.464 1.00 30.43 H new ATOM 394 N SER A 25 13.162 7.569 4.738 1.00 62.41 N ATOM 395 CA SER A 25 14.012 7.241 3.618 1.00 70.01 C ATOM 396 C SER A 25 13.310 6.279 2.667 1.00 30.34 C ATOM 397 O SER A 25 12.604 5.354 3.101 1.00 5.25 O ATOM 398 CB SER A 25 15.326 6.637 4.115 1.00 12.42 C ATOM 399 OG SER A 25 16.235 6.419 3.046 1.00 42.31 O ATOM 0 H SER A 25 12.722 6.766 5.186 1.00 62.41 H new ATOM 0 HA SER A 25 14.230 8.158 3.071 1.00 70.01 H new ATOM 0 HB2 SER A 25 15.779 7.303 4.849 1.00 12.42 H new ATOM 0 HB3 SER A 25 15.125 5.693 4.622 1.00 12.42 H new ATOM 0 HG SER A 25 17.065 6.034 3.396 1.00 42.31 H new ATOM 405 N SER A 26 13.493 6.512 1.383 1.00 51.31 N ATOM 406 CA SER A 26 12.920 5.679 0.352 1.00 60.33 C ATOM 407 C SER A 26 13.955 5.469 -0.744 1.00 13.45 C ATOM 408 O SER A 26 15.143 5.753 -0.547 1.00 24.12 O ATOM 409 CB SER A 26 11.688 6.369 -0.238 1.00 63.53 C ATOM 410 OG SER A 26 12.056 7.571 -0.919 1.00 4.23 O ATOM 0 H SER A 26 14.047 7.290 1.026 1.00 51.31 H new ATOM 0 HA SER A 26 12.627 4.718 0.775 1.00 60.33 H new ATOM 0 HB2 SER A 26 11.184 5.694 -0.929 1.00 63.53 H new ATOM 0 HB3 SER A 26 10.979 6.599 0.557 1.00 63.53 H new ATOM 0 HG SER A 26 11.249 8.076 -1.151 1.00 4.23 H new ATOM 415 N TRP A 27 13.520 4.960 -1.881 1.00 22.34 N ATOM 416 CA TRP A 27 14.397 4.831 -3.028 1.00 22.45 C ATOM 417 C TRP A 27 14.093 5.955 -4.012 1.00 5.24 C ATOM 418 O TRP A 27 14.745 6.101 -5.050 1.00 40.04 O ATOM 419 CB TRP A 27 14.241 3.457 -3.698 1.00 71.11 C ATOM 420 CG TRP A 27 12.908 3.227 -4.348 1.00 12.30 C ATOM 421 CD1 TRP A 27 11.725 2.968 -3.724 1.00 21.25 C ATOM 422 CD2 TRP A 27 12.630 3.218 -5.754 1.00 43.45 C ATOM 423 NE1 TRP A 27 10.731 2.807 -4.651 1.00 50.30 N ATOM 424 CE2 TRP A 27 11.259 2.955 -5.906 1.00 22.23 C ATOM 425 CE3 TRP A 27 13.410 3.412 -6.899 1.00 73.33 C ATOM 426 CZ2 TRP A 27 10.647 2.880 -7.155 1.00 35.40 C ATOM 427 CZ3 TRP A 27 12.803 3.336 -8.138 1.00 45.11 C ATOM 428 CH2 TRP A 27 11.433 3.072 -8.257 1.00 21.23 C ATOM 0 H TRP A 27 12.567 4.630 -2.034 1.00 22.34 H new ATOM 0 HA TRP A 27 15.432 4.909 -2.696 1.00 22.45 H new ATOM 0 HB2 TRP A 27 15.022 3.343 -4.450 1.00 71.11 H new ATOM 0 HB3 TRP A 27 14.404 2.682 -2.949 1.00 71.11 H new ATOM 0 HD1 TRP A 27 11.591 2.900 -2.655 1.00 21.25 H new ATOM 0 HE1 TRP A 27 9.753 2.608 -4.441 1.00 50.30 H new ATOM 0 HE3 TRP A 27 14.467 3.617 -6.816 1.00 73.33 H new ATOM 0 HZ2 TRP A 27 9.590 2.678 -7.249 1.00 35.40 H new ATOM 0 HZ3 TRP A 27 13.395 3.483 -9.029 1.00 45.11 H new ATOM 0 HH2 TRP A 27 10.988 3.019 -9.240 1.00 21.23 H new ATOM 439 N ARG A 28 13.096 6.759 -3.657 1.00 60.44 N ATOM 440 CA ARG A 28 12.675 7.883 -4.473 1.00 60.31 C ATOM 441 C ARG A 28 13.403 9.132 -4.026 1.00 14.34 C ATOM 442 O ARG A 28 13.938 9.886 -4.841 1.00 71.04 O ATOM 443 CB ARG A 28 11.161 8.096 -4.352 1.00 54.30 C ATOM 444 CG ARG A 28 10.325 6.892 -4.765 1.00 50.44 C ATOM 445 CD ARG A 28 10.560 6.522 -6.220 1.00 2.14 C ATOM 446 NE ARG A 28 10.216 7.615 -7.131 1.00 64.44 N ATOM 447 CZ ARG A 28 10.263 7.528 -8.461 1.00 23.42 C ATOM 448 NH1 ARG A 28 10.645 6.399 -9.045 1.00 71.41 N ATOM 449 NH2 ARG A 28 9.926 8.572 -9.206 1.00 5.22 N ATOM 0 H ARG A 28 12.560 6.647 -2.796 1.00 60.44 H new ATOM 0 HA ARG A 28 12.915 7.672 -5.515 1.00 60.31 H new ATOM 0 HB2 ARG A 28 10.923 8.352 -3.320 1.00 54.30 H new ATOM 0 HB3 ARG A 28 10.876 8.950 -4.966 1.00 54.30 H new ATOM 0 HG2 ARG A 28 10.570 6.042 -4.128 1.00 50.44 H new ATOM 0 HG3 ARG A 28 9.269 7.111 -4.611 1.00 50.44 H new ATOM 0 HD2 ARG A 28 11.606 6.251 -6.360 1.00 2.14 H new ATOM 0 HD3 ARG A 28 9.967 5.643 -6.470 1.00 2.14 H new ATOM 0 HE ARG A 28 9.921 8.501 -6.722 1.00 64.44 H new ATOM 0 HH11 ARG A 28 10.904 5.593 -8.476 1.00 71.41 H new ATOM 0 HH12 ARG A 28 10.679 6.337 -10.063 1.00 71.41 H new ATOM 0 HH21 ARG A 28 9.631 9.441 -8.762 1.00 5.22 H new ATOM 0 HH22 ARG A 28 9.962 8.506 -10.223 1.00 5.22 H new ATOM 463 N GLN A 29 13.424 9.342 -2.727 1.00 43.51 N ATOM 464 CA GLN A 29 14.097 10.478 -2.144 1.00 22.13 C ATOM 465 C GLN A 29 15.087 10.003 -1.102 1.00 34.21 C ATOM 466 O GLN A 29 14.873 8.972 -0.458 1.00 2.43 O ATOM 467 CB GLN A 29 13.086 11.428 -1.491 1.00 21.01 C ATOM 468 CG GLN A 29 12.072 12.025 -2.451 1.00 51.34 C ATOM 469 CD GLN A 29 11.083 12.941 -1.754 1.00 15.44 C ATOM 470 OE1 GLN A 29 10.028 12.503 -1.291 1.00 60.33 O ATOM 471 NE2 GLN A 29 11.409 14.212 -1.680 1.00 54.13 N ATOM 0 H GLN A 29 12.974 8.729 -2.047 1.00 43.51 H new ATOM 0 HA GLN A 29 14.622 11.014 -2.935 1.00 22.13 H new ATOM 0 HB2 GLN A 29 12.553 10.889 -0.708 1.00 21.01 H new ATOM 0 HB3 GLN A 29 13.629 12.239 -1.006 1.00 21.01 H new ATOM 0 HG2 GLN A 29 12.596 12.584 -3.227 1.00 51.34 H new ATOM 0 HG3 GLN A 29 11.530 11.221 -2.948 1.00 51.34 H new ATOM 0 HE21 GLN A 29 12.292 14.536 -2.075 1.00 54.13 H new ATOM 0 HE22 GLN A 29 10.779 14.874 -1.227 1.00 54.13 H new ATOM 480 N GLU A 30 16.182 10.725 -0.954 1.00 1.45 N ATOM 481 CA GLU A 30 17.155 10.407 0.072 1.00 63.23 C ATOM 482 C GLU A 30 16.545 10.750 1.417 1.00 12.31 C ATOM 483 O GLU A 30 16.739 10.049 2.416 1.00 41.44 O ATOM 484 CB GLU A 30 18.444 11.193 -0.155 1.00 23.02 C ATOM 485 CG GLU A 30 19.517 10.929 0.883 1.00 11.01 C ATOM 486 CD GLU A 30 20.798 11.655 0.576 1.00 2.34 C ATOM 487 OE1 GLU A 30 20.808 12.899 0.632 1.00 70.14 O ATOM 488 OE2 GLU A 30 21.804 10.986 0.262 1.00 53.10 O ATOM 0 H GLU A 30 16.419 11.533 -1.530 1.00 1.45 H new ATOM 0 HA GLU A 30 17.408 9.347 0.038 1.00 63.23 H new ATOM 0 HB2 GLU A 30 18.838 10.948 -1.141 1.00 23.02 H new ATOM 0 HB3 GLU A 30 18.212 12.258 -0.160 1.00 23.02 H new ATOM 0 HG2 GLU A 30 19.154 11.236 1.864 1.00 11.01 H new ATOM 0 HG3 GLU A 30 19.713 9.858 0.936 1.00 11.01 H new ATOM 495 N LYS A 31 15.797 11.833 1.416 1.00 23.43 N ATOM 496 CA LYS A 31 15.043 12.264 2.557 1.00 43.21 C ATOM 497 C LYS A 31 13.625 12.585 2.107 1.00 22.32 C ATOM 498 O LYS A 31 13.421 13.317 1.141 1.00 64.30 O ATOM 499 CB LYS A 31 15.729 13.460 3.271 1.00 71.52 C ATOM 500 CG LYS A 31 16.145 14.627 2.367 1.00 32.14 C ATOM 501 CD LYS A 31 14.994 15.588 2.105 1.00 64.35 C ATOM 502 CE LYS A 31 15.417 16.742 1.216 1.00 71.32 C ATOM 503 NZ LYS A 31 16.414 17.617 1.876 1.00 43.02 N ATOM 0 H LYS A 31 15.699 12.444 0.605 1.00 23.43 H new ATOM 0 HA LYS A 31 15.001 11.466 3.298 1.00 43.21 H new ATOM 0 HB2 LYS A 31 15.051 13.841 4.035 1.00 71.52 H new ATOM 0 HB3 LYS A 31 16.615 13.091 3.787 1.00 71.52 H new ATOM 0 HG2 LYS A 31 16.970 15.168 2.831 1.00 32.14 H new ATOM 0 HG3 LYS A 31 16.514 14.236 1.418 1.00 32.14 H new ATOM 0 HD2 LYS A 31 14.171 15.050 1.635 1.00 64.35 H new ATOM 0 HD3 LYS A 31 14.622 15.977 3.053 1.00 64.35 H new ATOM 0 HE2 LYS A 31 15.836 16.350 0.289 1.00 71.32 H new ATOM 0 HE3 LYS A 31 14.541 17.331 0.946 1.00 71.32 H new ATOM 0 HZ1 LYS A 31 16.536 18.486 1.318 1.00 43.02 H new ATOM 0 HZ2 LYS A 31 16.083 17.862 2.831 1.00 43.02 H new ATOM 0 HZ3 LYS A 31 17.324 17.118 1.943 1.00 43.02 H new ATOM 517 N ILE A 32 12.658 11.991 2.762 1.00 15.55 N ATOM 518 CA ILE A 32 11.272 12.176 2.384 1.00 13.32 C ATOM 519 C ILE A 32 10.752 13.543 2.815 1.00 53.34 C ATOM 520 O ILE A 32 10.749 13.876 4.003 1.00 12.03 O ATOM 521 CB ILE A 32 10.379 11.053 2.957 1.00 23.43 C ATOM 522 CG1 ILE A 32 10.833 9.699 2.403 1.00 34.42 C ATOM 523 CG2 ILE A 32 8.915 11.304 2.623 1.00 14.41 C ATOM 524 CD1 ILE A 32 10.017 8.530 2.897 1.00 24.44 C ATOM 0 H ILE A 32 12.802 11.374 3.561 1.00 15.55 H new ATOM 0 HA ILE A 32 11.227 12.126 1.296 1.00 13.32 H new ATOM 0 HB ILE A 32 10.478 11.044 4.042 1.00 23.43 H new ATOM 0 HG12 ILE A 32 10.785 9.729 1.314 1.00 34.42 H new ATOM 0 HG13 ILE A 32 11.877 9.540 2.672 1.00 34.42 H new ATOM 0 HG21 ILE A 32 8.305 10.501 3.036 1.00 14.41 H new ATOM 0 HG22 ILE A 32 8.602 12.256 3.052 1.00 14.41 H new ATOM 0 HG23 ILE A 32 8.789 11.335 1.541 1.00 14.41 H new ATOM 0 HD11 ILE A 32 10.400 7.608 2.460 1.00 24.44 H new ATOM 0 HD12 ILE A 32 10.085 8.472 3.983 1.00 24.44 H new ATOM 0 HD13 ILE A 32 8.975 8.664 2.605 1.00 24.44 H new ATOM 536 N THR A 33 10.329 14.331 1.838 1.00 61.40 N ATOM 537 CA THR A 33 9.804 15.659 2.088 1.00 54.24 C ATOM 538 C THR A 33 8.287 15.627 2.277 1.00 44.42 C ATOM 539 O THR A 33 7.733 16.394 3.069 1.00 12.32 O ATOM 540 CB THR A 33 10.156 16.612 0.930 1.00 72.12 C ATOM 541 OG1 THR A 33 9.770 16.016 -0.320 1.00 20.33 O ATOM 542 CG2 THR A 33 11.647 16.906 0.909 1.00 63.44 C ATOM 0 H THR A 33 10.341 14.066 0.853 1.00 61.40 H new ATOM 0 HA THR A 33 10.264 16.024 3.006 1.00 54.24 H new ATOM 0 HB THR A 33 9.617 17.548 1.077 1.00 72.12 H new ATOM 0 HG1 THR A 33 10.065 16.587 -1.060 1.00 20.33 H new ATOM 0 HG21 THR A 33 11.873 17.581 0.083 1.00 63.44 H new ATOM 0 HG22 THR A 33 11.939 17.373 1.850 1.00 63.44 H new ATOM 0 HG23 THR A 33 12.200 15.975 0.779 1.00 63.44 H new ATOM 550 N ARG A 34 7.622 14.737 1.544 1.00 61.21 N ATOM 551 CA ARG A 34 6.172 14.596 1.633 1.00 4.50 C ATOM 552 C ARG A 34 5.746 14.170 3.031 1.00 1.04 C ATOM 553 O ARG A 34 6.084 13.084 3.493 1.00 70.42 O ATOM 554 CB ARG A 34 5.644 13.604 0.583 1.00 1.45 C ATOM 555 CG ARG A 34 6.519 12.378 0.389 1.00 42.33 C ATOM 556 CD ARG A 34 5.848 11.344 -0.496 1.00 41.11 C ATOM 557 NE ARG A 34 6.828 10.516 -1.194 1.00 40.43 N ATOM 558 CZ ARG A 34 7.142 9.255 -0.879 1.00 42.24 C ATOM 559 NH1 ARG A 34 6.586 8.657 0.165 1.00 23.22 N ATOM 560 NH2 ARG A 34 8.035 8.600 -1.609 1.00 54.24 N ATOM 0 H ARG A 34 8.066 14.102 0.881 1.00 61.21 H new ATOM 0 HA ARG A 34 5.735 15.573 1.427 1.00 4.50 H new ATOM 0 HB2 ARG A 34 4.645 13.281 0.875 1.00 1.45 H new ATOM 0 HB3 ARG A 34 5.545 14.121 -0.372 1.00 1.45 H new ATOM 0 HG2 ARG A 34 7.469 12.675 -0.055 1.00 42.33 H new ATOM 0 HG3 ARG A 34 6.745 11.935 1.359 1.00 42.33 H new ATOM 0 HD2 ARG A 34 5.201 10.710 0.110 1.00 41.11 H new ATOM 0 HD3 ARG A 34 5.211 11.846 -1.224 1.00 41.11 H new ATOM 0 HE ARG A 34 7.313 10.934 -1.988 1.00 40.43 H new ATOM 0 HH11 ARG A 34 5.909 9.159 0.740 1.00 23.22 H new ATOM 0 HH12 ARG A 34 6.835 7.695 0.394 1.00 23.22 H new ATOM 0 HH21 ARG A 34 8.478 9.058 -2.405 1.00 54.24 H new ATOM 0 HH22 ARG A 34 8.279 7.638 -1.374 1.00 54.24 H new ATOM 574 N THR A 35 5.015 15.038 3.699 1.00 12.11 N ATOM 575 CA THR A 35 4.555 14.771 5.043 1.00 5.04 C ATOM 576 C THR A 35 3.329 13.836 5.035 1.00 51.24 C ATOM 577 O THR A 35 2.919 13.338 3.982 1.00 35.30 O ATOM 578 CB THR A 35 4.229 16.098 5.798 1.00 3.41 C ATOM 579 OG1 THR A 35 3.893 15.837 7.170 1.00 15.31 O ATOM 580 CG2 THR A 35 3.085 16.843 5.129 1.00 11.30 C ATOM 0 H THR A 35 4.725 15.943 3.327 1.00 12.11 H new ATOM 0 HA THR A 35 5.362 14.267 5.574 1.00 5.04 H new ATOM 0 HB THR A 35 5.123 16.721 5.762 1.00 3.41 H new ATOM 0 HG1 THR A 35 2.925 15.931 7.293 1.00 15.31 H new ATOM 0 HG21 THR A 35 2.880 17.763 5.677 1.00 11.30 H new ATOM 0 HG22 THR A 35 3.360 17.085 4.102 1.00 11.30 H new ATOM 0 HG23 THR A 35 2.194 16.216 5.128 1.00 11.30 H new ATOM 588 N LYS A 36 2.772 13.610 6.213 1.00 33.12 N ATOM 589 CA LYS A 36 1.619 12.741 6.410 1.00 72.41 C ATOM 590 C LYS A 36 0.448 13.129 5.504 1.00 12.50 C ATOM 591 O LYS A 36 -0.102 12.286 4.794 1.00 21.24 O ATOM 592 CB LYS A 36 1.207 12.787 7.886 1.00 32.51 C ATOM 593 CG LYS A 36 -0.152 12.190 8.191 1.00 13.22 C ATOM 594 CD LYS A 36 -0.414 12.184 9.686 1.00 54.45 C ATOM 595 CE LYS A 36 -1.872 11.917 9.992 1.00 2.44 C ATOM 596 NZ LYS A 36 -2.743 13.050 9.573 1.00 5.42 N ATOM 0 H LYS A 36 3.113 14.032 7.077 1.00 33.12 H new ATOM 0 HA LYS A 36 1.899 11.724 6.138 1.00 72.41 H new ATOM 0 HB2 LYS A 36 1.959 12.260 8.474 1.00 32.51 H new ATOM 0 HB3 LYS A 36 1.213 13.825 8.217 1.00 32.51 H new ATOM 0 HG2 LYS A 36 -0.928 12.763 7.683 1.00 13.22 H new ATOM 0 HG3 LYS A 36 -0.202 11.172 7.804 1.00 13.22 H new ATOM 0 HD2 LYS A 36 0.204 11.423 10.162 1.00 54.45 H new ATOM 0 HD3 LYS A 36 -0.122 13.144 10.112 1.00 54.45 H new ATOM 0 HE2 LYS A 36 -2.189 11.007 9.482 1.00 2.44 H new ATOM 0 HE3 LYS A 36 -1.993 11.742 11.061 1.00 2.44 H new ATOM 0 HZ1 LYS A 36 -3.741 12.788 9.705 1.00 5.42 H new ATOM 0 HZ2 LYS A 36 -2.525 13.887 10.150 1.00 5.42 H new ATOM 0 HZ3 LYS A 36 -2.572 13.267 8.570 1.00 5.42 H new ATOM 610 N GLU A 37 0.086 14.404 5.520 1.00 24.24 N ATOM 611 CA GLU A 37 -1.025 14.892 4.707 1.00 44.40 C ATOM 612 C GLU A 37 -0.717 14.754 3.216 1.00 33.53 C ATOM 613 O GLU A 37 -1.605 14.471 2.412 1.00 21.14 O ATOM 614 CB GLU A 37 -1.343 16.341 5.059 1.00 53.02 C ATOM 615 CG GLU A 37 -1.733 16.539 6.516 1.00 1.31 C ATOM 616 CD GLU A 37 -2.968 15.751 6.904 1.00 52.14 C ATOM 617 OE1 GLU A 37 -4.089 16.274 6.729 1.00 21.25 O ATOM 618 OE2 GLU A 37 -2.830 14.608 7.396 1.00 54.40 O ATOM 0 H GLU A 37 0.543 15.120 6.085 1.00 24.24 H new ATOM 0 HA GLU A 37 -1.901 14.281 4.925 1.00 44.40 H new ATOM 0 HB2 GLU A 37 -0.474 16.960 4.836 1.00 53.02 H new ATOM 0 HB3 GLU A 37 -2.156 16.691 4.423 1.00 53.02 H new ATOM 0 HG2 GLU A 37 -0.901 16.240 7.154 1.00 1.31 H new ATOM 0 HG3 GLU A 37 -1.911 17.599 6.699 1.00 1.31 H new ATOM 625 N GLU A 38 0.549 14.938 2.862 1.00 20.30 N ATOM 626 CA GLU A 38 0.989 14.805 1.480 1.00 24.53 C ATOM 627 C GLU A 38 0.777 13.383 0.995 1.00 71.45 C ATOM 628 O GLU A 38 0.197 13.156 -0.066 1.00 45.24 O ATOM 629 CB GLU A 38 2.464 15.177 1.357 1.00 51.05 C ATOM 630 CG GLU A 38 2.752 16.639 1.616 1.00 33.52 C ATOM 631 CD GLU A 38 2.133 17.531 0.579 1.00 51.43 C ATOM 632 OE1 GLU A 38 2.716 17.670 -0.511 1.00 74.11 O ATOM 633 OE2 GLU A 38 1.055 18.095 0.841 1.00 34.23 O ATOM 0 H GLU A 38 1.292 15.181 3.517 1.00 20.30 H new ATOM 0 HA GLU A 38 0.399 15.482 0.863 1.00 24.53 H new ATOM 0 HB2 GLU A 38 3.040 14.574 2.058 1.00 51.05 H new ATOM 0 HB3 GLU A 38 2.811 14.920 0.356 1.00 51.05 H new ATOM 0 HG2 GLU A 38 2.374 16.913 2.601 1.00 33.52 H new ATOM 0 HG3 GLU A 38 3.830 16.798 1.633 1.00 33.52 H new ATOM 640 N ALA A 39 1.239 12.430 1.794 1.00 25.03 N ATOM 641 CA ALA A 39 1.101 11.023 1.475 1.00 60.44 C ATOM 642 C ALA A 39 -0.371 10.644 1.366 1.00 51.24 C ATOM 643 O ALA A 39 -0.771 9.911 0.460 1.00 10.34 O ATOM 644 CB ALA A 39 1.785 10.178 2.540 1.00 2.32 C ATOM 0 H ALA A 39 1.717 12.613 2.676 1.00 25.03 H new ATOM 0 HA ALA A 39 1.578 10.834 0.514 1.00 60.44 H new ATOM 0 HB1 ALA A 39 1.676 9.122 2.292 1.00 2.32 H new ATOM 0 HB2 ALA A 39 2.844 10.434 2.583 1.00 2.32 H new ATOM 0 HB3 ALA A 39 1.326 10.372 3.509 1.00 2.32 H new ATOM 650 N LEU A 40 -1.172 11.171 2.287 1.00 14.15 N ATOM 651 CA LEU A 40 -2.602 10.895 2.331 1.00 63.31 C ATOM 652 C LEU A 40 -3.293 11.306 1.032 1.00 31.23 C ATOM 653 O LEU A 40 -4.056 10.523 0.451 1.00 21.41 O ATOM 654 CB LEU A 40 -3.246 11.617 3.518 1.00 51.43 C ATOM 655 CG LEU A 40 -4.738 11.348 3.733 1.00 54.34 C ATOM 656 CD1 LEU A 40 -4.977 9.896 4.123 1.00 25.52 C ATOM 657 CD2 LEU A 40 -5.300 12.287 4.785 1.00 40.34 C ATOM 0 H LEU A 40 -0.848 11.800 3.022 1.00 14.15 H new ATOM 0 HA LEU A 40 -2.728 9.819 2.453 1.00 63.31 H new ATOM 0 HB2 LEU A 40 -2.711 11.334 4.425 1.00 51.43 H new ATOM 0 HB3 LEU A 40 -3.105 12.690 3.386 1.00 51.43 H new ATOM 0 HG LEU A 40 -5.258 11.533 2.793 1.00 54.34 H new ATOM 0 HD11 LEU A 40 -6.044 9.730 4.270 1.00 25.52 H new ATOM 0 HD12 LEU A 40 -4.614 9.242 3.330 1.00 25.52 H new ATOM 0 HD13 LEU A 40 -4.444 9.675 5.048 1.00 25.52 H new ATOM 0 HD21 LEU A 40 -6.361 12.082 4.926 1.00 40.34 H new ATOM 0 HD22 LEU A 40 -4.773 12.135 5.727 1.00 40.34 H new ATOM 0 HD23 LEU A 40 -5.169 13.319 4.459 1.00 40.34 H new ATOM 669 N GLU A 41 -3.024 12.526 0.573 1.00 4.53 N ATOM 670 CA GLU A 41 -3.639 13.027 -0.651 1.00 21.41 C ATOM 671 C GLU A 41 -3.201 12.216 -1.861 1.00 4.35 C ATOM 672 O GLU A 41 -3.989 11.991 -2.784 1.00 13.03 O ATOM 673 CB GLU A 41 -3.322 14.502 -0.867 1.00 42.31 C ATOM 674 CG GLU A 41 -3.816 15.410 0.243 1.00 4.45 C ATOM 675 CD GLU A 41 -3.717 16.870 -0.125 1.00 2.01 C ATOM 676 OE1 GLU A 41 -2.618 17.317 -0.515 1.00 74.04 O ATOM 677 OE2 GLU A 41 -4.738 17.583 -0.029 1.00 74.03 O ATOM 0 H GLU A 41 -2.388 13.181 1.028 1.00 4.53 H new ATOM 0 HA GLU A 41 -4.718 12.920 -0.536 1.00 21.41 H new ATOM 0 HB2 GLU A 41 -2.243 14.620 -0.965 1.00 42.31 H new ATOM 0 HB3 GLU A 41 -3.765 14.824 -1.809 1.00 42.31 H new ATOM 0 HG2 GLU A 41 -4.853 15.166 0.475 1.00 4.45 H new ATOM 0 HG3 GLU A 41 -3.235 15.225 1.146 1.00 4.45 H new ATOM 684 N LEU A 42 -1.948 11.779 -1.857 1.00 62.44 N ATOM 685 CA LEU A 42 -1.427 10.963 -2.943 1.00 32.13 C ATOM 686 C LEU A 42 -2.167 9.634 -3.005 1.00 30.41 C ATOM 687 O LEU A 42 -2.628 9.221 -4.067 1.00 35.14 O ATOM 688 CB LEU A 42 0.078 10.718 -2.770 1.00 1.21 C ATOM 689 CG LEU A 42 0.973 11.961 -2.822 1.00 31.13 C ATOM 690 CD1 LEU A 42 2.426 11.583 -2.583 1.00 10.55 C ATOM 691 CD2 LEU A 42 0.823 12.677 -4.157 1.00 73.41 C ATOM 0 H LEU A 42 -1.276 11.976 -1.115 1.00 62.44 H new ATOM 0 HA LEU A 42 -1.583 11.502 -3.878 1.00 32.13 H new ATOM 0 HB2 LEU A 42 0.237 10.220 -1.813 1.00 1.21 H new ATOM 0 HB3 LEU A 42 0.405 10.027 -3.547 1.00 1.21 H new ATOM 0 HG LEU A 42 0.658 12.641 -2.031 1.00 31.13 H new ATOM 0 HD11 LEU A 42 3.046 12.478 -2.624 1.00 10.55 H new ATOM 0 HD12 LEU A 42 2.524 11.118 -1.602 1.00 10.55 H new ATOM 0 HD13 LEU A 42 2.751 10.882 -3.352 1.00 10.55 H new ATOM 0 HD21 LEU A 42 1.467 13.556 -4.173 1.00 73.41 H new ATOM 0 HD22 LEU A 42 1.109 12.004 -4.965 1.00 73.41 H new ATOM 0 HD23 LEU A 42 -0.214 12.984 -4.290 1.00 73.41 H new ATOM 703 N ILE A 43 -2.296 8.987 -1.849 1.00 41.24 N ATOM 704 CA ILE A 43 -2.981 7.698 -1.740 1.00 30.33 C ATOM 705 C ILE A 43 -4.404 7.778 -2.289 1.00 62.43 C ATOM 706 O ILE A 43 -4.782 7.004 -3.173 1.00 33.04 O ATOM 707 CB ILE A 43 -3.026 7.211 -0.268 1.00 74.20 C ATOM 708 CG1 ILE A 43 -1.609 6.942 0.256 1.00 42.24 C ATOM 709 CG2 ILE A 43 -3.897 5.966 -0.126 1.00 51.24 C ATOM 710 CD1 ILE A 43 -0.877 5.836 -0.476 1.00 63.34 C ATOM 0 H ILE A 43 -1.931 9.338 -0.964 1.00 41.24 H new ATOM 0 HA ILE A 43 -2.412 6.983 -2.335 1.00 30.33 H new ATOM 0 HB ILE A 43 -3.472 8.003 0.334 1.00 74.20 H new ATOM 0 HG12 ILE A 43 -1.026 7.860 0.182 1.00 42.24 H new ATOM 0 HG13 ILE A 43 -1.667 6.686 1.314 1.00 42.24 H new ATOM 0 HG21 ILE A 43 -3.910 5.648 0.916 1.00 51.24 H new ATOM 0 HG22 ILE A 43 -4.913 6.194 -0.448 1.00 51.24 H new ATOM 0 HG23 ILE A 43 -3.491 5.166 -0.745 1.00 51.24 H new ATOM 0 HD11 ILE A 43 0.116 5.709 -0.045 1.00 63.34 H new ATOM 0 HD12 ILE A 43 -1.436 4.905 -0.381 1.00 63.34 H new ATOM 0 HD13 ILE A 43 -0.784 6.097 -1.530 1.00 63.34 H new ATOM 722 N ASN A 44 -5.181 8.723 -1.773 1.00 5.30 N ATOM 723 CA ASN A 44 -6.565 8.895 -2.209 1.00 43.45 C ATOM 724 C ASN A 44 -6.628 9.248 -3.686 1.00 2.02 C ATOM 725 O ASN A 44 -7.496 8.759 -4.416 1.00 44.50 O ATOM 726 CB ASN A 44 -7.283 9.965 -1.374 1.00 25.40 C ATOM 727 CG ASN A 44 -7.592 9.503 0.043 1.00 13.34 C ATOM 728 OD1 ASN A 44 -8.636 8.897 0.300 1.00 50.14 O ATOM 729 ND2 ASN A 44 -6.702 9.796 0.974 1.00 73.42 N ATOM 0 H ASN A 44 -4.879 9.381 -1.054 1.00 5.30 H new ATOM 0 HA ASN A 44 -7.078 7.945 -2.057 1.00 43.45 H new ATOM 0 HB2 ASN A 44 -6.664 10.861 -1.332 1.00 25.40 H new ATOM 0 HB3 ASN A 44 -8.213 10.243 -1.871 1.00 25.40 H new ATOM 0 HD21 ASN A 44 -6.867 9.520 1.942 1.00 73.42 H new ATOM 0 HD22 ASN A 44 -5.850 10.298 0.725 1.00 73.42 H new ATOM 736 N GLY A 45 -5.692 10.084 -4.125 1.00 31.41 N ATOM 737 CA GLY A 45 -5.636 10.479 -5.516 1.00 62.42 C ATOM 738 C GLY A 45 -5.441 9.293 -6.437 1.00 42.31 C ATOM 739 O GLY A 45 -6.181 9.130 -7.412 1.00 24.20 O ATOM 0 H GLY A 45 -4.968 10.496 -3.536 1.00 31.41 H new ATOM 0 HA2 GLY A 45 -6.557 10.997 -5.783 1.00 62.42 H new ATOM 0 HA3 GLY A 45 -4.819 11.187 -5.659 1.00 62.42 H new ATOM 743 N TYR A 46 -4.453 8.450 -6.117 1.00 52.22 N ATOM 744 CA TYR A 46 -4.169 7.256 -6.911 1.00 61.13 C ATOM 745 C TYR A 46 -5.412 6.390 -7.036 1.00 4.43 C ATOM 746 O TYR A 46 -5.839 6.065 -8.140 1.00 61.34 O ATOM 747 CB TYR A 46 -3.034 6.425 -6.287 1.00 2.54 C ATOM 748 CG TYR A 46 -1.690 7.125 -6.219 1.00 65.24 C ATOM 749 CD1 TYR A 46 -1.259 7.963 -7.241 1.00 23.41 C ATOM 750 CD2 TYR A 46 -0.852 6.942 -5.125 1.00 12.32 C ATOM 751 CE1 TYR A 46 -0.033 8.597 -7.174 1.00 15.23 C ATOM 752 CE2 TYR A 46 0.374 7.572 -5.051 1.00 21.50 C ATOM 753 CZ TYR A 46 0.778 8.398 -6.076 1.00 20.44 C ATOM 754 OH TYR A 46 2.001 9.027 -6.004 1.00 42.02 O ATOM 0 H TYR A 46 -3.838 8.575 -5.313 1.00 52.22 H new ATOM 0 HA TYR A 46 -3.856 7.590 -7.900 1.00 61.13 H new ATOM 0 HB2 TYR A 46 -3.328 6.136 -5.278 1.00 2.54 H new ATOM 0 HB3 TYR A 46 -2.919 5.506 -6.861 1.00 2.54 H new ATOM 0 HD1 TYR A 46 -1.893 8.121 -8.101 1.00 23.41 H new ATOM 0 HD2 TYR A 46 -1.166 6.296 -4.319 1.00 12.32 H new ATOM 0 HE1 TYR A 46 0.288 9.244 -7.976 1.00 15.23 H new ATOM 0 HE2 TYR A 46 1.013 7.418 -4.194 1.00 21.50 H new ATOM 0 HH TYR A 46 2.446 8.781 -5.166 1.00 42.02 H new ATOM 764 N ILE A 47 -6.001 6.048 -5.891 1.00 11.04 N ATOM 765 CA ILE A 47 -7.195 5.204 -5.845 1.00 4.20 C ATOM 766 C ILE A 47 -8.309 5.762 -6.735 1.00 43.44 C ATOM 767 O ILE A 47 -8.897 5.036 -7.544 1.00 72.32 O ATOM 768 CB ILE A 47 -7.722 5.059 -4.392 1.00 33.53 C ATOM 769 CG1 ILE A 47 -6.664 4.385 -3.509 1.00 10.33 C ATOM 770 CG2 ILE A 47 -9.029 4.269 -4.364 1.00 73.20 C ATOM 771 CD1 ILE A 47 -7.057 4.286 -2.049 1.00 42.32 C ATOM 0 H ILE A 47 -5.667 6.346 -4.974 1.00 11.04 H new ATOM 0 HA ILE A 47 -6.905 4.222 -6.219 1.00 4.20 H new ATOM 0 HB ILE A 47 -7.922 6.055 -3.997 1.00 33.53 H new ATOM 0 HG12 ILE A 47 -6.470 3.383 -3.892 1.00 10.33 H new ATOM 0 HG13 ILE A 47 -5.731 4.943 -3.587 1.00 10.33 H new ATOM 0 HG21 ILE A 47 -9.379 4.181 -3.335 1.00 73.20 H new ATOM 0 HG22 ILE A 47 -9.780 4.788 -4.959 1.00 73.20 H new ATOM 0 HG23 ILE A 47 -8.862 3.274 -4.777 1.00 73.20 H new ATOM 0 HD11 ILE A 47 -6.259 3.798 -1.490 1.00 42.32 H new ATOM 0 HD12 ILE A 47 -7.222 5.286 -1.648 1.00 42.32 H new ATOM 0 HD13 ILE A 47 -7.973 3.702 -1.958 1.00 42.32 H new ATOM 783 N GLN A 48 -8.573 7.052 -6.603 1.00 12.54 N ATOM 784 CA GLN A 48 -9.625 7.699 -7.379 1.00 50.22 C ATOM 785 C GLN A 48 -9.318 7.688 -8.876 1.00 12.43 C ATOM 786 O GLN A 48 -10.225 7.586 -9.703 1.00 24.44 O ATOM 787 CB GLN A 48 -9.863 9.132 -6.890 1.00 73.04 C ATOM 788 CG GLN A 48 -10.430 9.208 -5.481 1.00 42.34 C ATOM 789 CD GLN A 48 -11.737 8.451 -5.343 1.00 40.30 C ATOM 790 OE1 GLN A 48 -12.511 8.344 -6.294 1.00 24.25 O ATOM 791 NE2 GLN A 48 -11.990 7.916 -4.166 1.00 63.21 N ATOM 0 H GLN A 48 -8.075 7.674 -5.966 1.00 12.54 H new ATOM 0 HA GLN A 48 -10.538 7.123 -7.226 1.00 50.22 H new ATOM 0 HB2 GLN A 48 -8.921 9.680 -6.924 1.00 73.04 H new ATOM 0 HB3 GLN A 48 -10.547 9.632 -7.576 1.00 73.04 H new ATOM 0 HG2 GLN A 48 -9.703 8.803 -4.777 1.00 42.34 H new ATOM 0 HG3 GLN A 48 -10.588 10.252 -5.211 1.00 42.34 H new ATOM 0 HE21 GLN A 48 -11.324 8.026 -3.402 1.00 63.21 H new ATOM 0 HE22 GLN A 48 -12.852 7.391 -4.019 1.00 63.21 H new ATOM 800 N LYS A 49 -8.046 7.780 -9.228 1.00 5.24 N ATOM 801 CA LYS A 49 -7.655 7.781 -10.630 1.00 10.32 C ATOM 802 C LYS A 49 -7.627 6.365 -11.204 1.00 32.44 C ATOM 803 O LYS A 49 -7.870 6.165 -12.397 1.00 65.25 O ATOM 804 CB LYS A 49 -6.312 8.479 -10.822 1.00 42.12 C ATOM 805 CG LYS A 49 -6.354 9.971 -10.515 1.00 11.51 C ATOM 806 CD LYS A 49 -4.990 10.626 -10.687 1.00 63.43 C ATOM 807 CE LYS A 49 -4.496 10.550 -12.125 1.00 31.42 C ATOM 808 NZ LYS A 49 -5.409 11.238 -13.078 1.00 31.21 N ATOM 0 H LYS A 49 -7.271 7.854 -8.569 1.00 5.24 H new ATOM 0 HA LYS A 49 -8.408 8.343 -11.182 1.00 10.32 H new ATOM 0 HB2 LYS A 49 -5.570 8.005 -10.180 1.00 42.12 H new ATOM 0 HB3 LYS A 49 -5.981 8.337 -11.851 1.00 42.12 H new ATOM 0 HG2 LYS A 49 -7.075 10.457 -11.173 1.00 11.51 H new ATOM 0 HG3 LYS A 49 -6.703 10.122 -9.493 1.00 11.51 H new ATOM 0 HD2 LYS A 49 -5.048 11.670 -10.379 1.00 63.43 H new ATOM 0 HD3 LYS A 49 -4.269 10.139 -10.030 1.00 63.43 H new ATOM 0 HE2 LYS A 49 -3.504 10.998 -12.189 1.00 31.42 H new ATOM 0 HE3 LYS A 49 -4.393 9.505 -12.416 1.00 31.42 H new ATOM 0 HZ1 LYS A 49 -5.020 11.172 -14.040 1.00 31.21 H new ATOM 0 HZ2 LYS A 49 -6.345 10.785 -13.051 1.00 31.21 H new ATOM 0 HZ3 LYS A 49 -5.501 12.238 -12.809 1.00 31.21 H new ATOM 822 N ILE A 50 -7.332 5.384 -10.359 1.00 1.44 N ATOM 823 CA ILE A 50 -7.349 3.987 -10.782 1.00 32.23 C ATOM 824 C ILE A 50 -8.779 3.564 -11.101 1.00 45.44 C ATOM 825 O ILE A 50 -9.048 2.969 -12.147 1.00 62.02 O ATOM 826 CB ILE A 50 -6.764 3.041 -9.694 1.00 52.13 C ATOM 827 CG1 ILE A 50 -5.287 3.360 -9.440 1.00 71.20 C ATOM 828 CG2 ILE A 50 -6.930 1.578 -10.106 1.00 25.34 C ATOM 829 CD1 ILE A 50 -4.673 2.549 -8.316 1.00 14.21 C ATOM 0 H ILE A 50 -7.079 5.528 -9.381 1.00 1.44 H new ATOM 0 HA ILE A 50 -6.722 3.905 -11.670 1.00 32.23 H new ATOM 0 HB ILE A 50 -7.317 3.203 -8.769 1.00 52.13 H new ATOM 0 HG12 ILE A 50 -4.723 3.181 -10.355 1.00 71.20 H new ATOM 0 HG13 ILE A 50 -5.188 4.420 -9.207 1.00 71.20 H new ATOM 0 HG21 ILE A 50 -6.515 0.933 -9.332 1.00 25.34 H new ATOM 0 HG22 ILE A 50 -7.989 1.354 -10.235 1.00 25.34 H new ATOM 0 HG23 ILE A 50 -6.405 1.403 -11.045 1.00 25.34 H new ATOM 0 HD11 ILE A 50 -3.627 2.829 -8.195 1.00 14.21 H new ATOM 0 HD12 ILE A 50 -5.211 2.746 -7.389 1.00 14.21 H new ATOM 0 HD13 ILE A 50 -4.739 1.488 -8.555 1.00 14.21 H new ATOM 841 N LYS A 51 -9.699 3.911 -10.204 1.00 31.35 N ATOM 842 CA LYS A 51 -11.112 3.586 -10.378 1.00 22.11 C ATOM 843 C LYS A 51 -11.709 4.358 -11.551 1.00 50.13 C ATOM 844 O LYS A 51 -12.635 3.889 -12.210 1.00 74.22 O ATOM 845 CB LYS A 51 -11.892 3.885 -9.096 1.00 72.00 C ATOM 846 CG LYS A 51 -11.484 3.026 -7.904 1.00 33.12 C ATOM 847 CD LYS A 51 -11.826 1.547 -8.109 1.00 20.33 C ATOM 848 CE LYS A 51 -13.299 1.234 -7.810 1.00 12.31 C ATOM 849 NZ LYS A 51 -14.246 1.882 -8.762 1.00 5.44 N ATOM 0 H LYS A 51 -9.489 4.420 -9.345 1.00 31.35 H new ATOM 0 HA LYS A 51 -11.189 2.521 -10.595 1.00 22.11 H new ATOM 0 HB2 LYS A 51 -11.756 4.935 -8.837 1.00 72.00 H new ATOM 0 HB3 LYS A 51 -12.955 3.740 -9.288 1.00 72.00 H new ATOM 0 HG2 LYS A 51 -10.412 3.129 -7.735 1.00 33.12 H new ATOM 0 HG3 LYS A 51 -11.985 3.391 -7.007 1.00 33.12 H new ATOM 0 HD2 LYS A 51 -11.600 1.265 -9.137 1.00 20.33 H new ATOM 0 HD3 LYS A 51 -11.191 0.939 -7.465 1.00 20.33 H new ATOM 0 HE2 LYS A 51 -13.447 0.154 -7.840 1.00 12.31 H new ATOM 0 HE3 LYS A 51 -13.534 1.560 -6.797 1.00 12.31 H new ATOM 0 HZ1 LYS A 51 -15.097 1.292 -8.861 1.00 5.44 H new ATOM 0 HZ2 LYS A 51 -14.515 2.819 -8.400 1.00 5.44 H new ATOM 0 HZ3 LYS A 51 -13.788 1.988 -9.690 1.00 5.44 H new ATOM 863 N SER A 52 -11.161 5.537 -11.813 1.00 61.00 N ATOM 864 CA SER A 52 -11.612 6.363 -12.921 1.00 43.54 C ATOM 865 C SER A 52 -11.176 5.748 -14.255 1.00 43.33 C ATOM 866 O SER A 52 -11.685 6.112 -15.318 1.00 31.12 O ATOM 867 CB SER A 52 -11.053 7.784 -12.780 1.00 44.44 C ATOM 868 OG SER A 52 -11.552 8.643 -13.791 1.00 12.34 O ATOM 0 H SER A 52 -10.400 5.943 -11.269 1.00 61.00 H new ATOM 0 HA SER A 52 -12.701 6.412 -12.902 1.00 43.54 H new ATOM 0 HB2 SER A 52 -11.315 8.183 -11.800 1.00 44.44 H new ATOM 0 HB3 SER A 52 -9.965 7.754 -12.831 1.00 44.44 H new ATOM 0 HG SER A 52 -11.737 8.123 -14.601 1.00 12.34 H new ATOM 874 N GLY A 53 -10.239 4.811 -14.187 1.00 60.41 N ATOM 875 CA GLY A 53 -9.757 4.158 -15.379 1.00 64.01 C ATOM 876 C GLY A 53 -8.609 4.902 -16.014 1.00 42.13 C ATOM 877 O GLY A 53 -8.353 4.761 -17.209 1.00 15.13 O ATOM 0 H GLY A 53 -9.805 4.493 -13.320 1.00 60.41 H new ATOM 0 HA2 GLY A 53 -9.439 3.145 -15.132 1.00 64.01 H new ATOM 0 HA3 GLY A 53 -10.572 4.070 -16.097 1.00 64.01 H new ATOM 881 N GLU A 54 -7.920 5.705 -15.223 1.00 33.22 N ATOM 882 CA GLU A 54 -6.793 6.472 -15.722 1.00 33.03 C ATOM 883 C GLU A 54 -5.484 5.773 -15.405 1.00 62.35 C ATOM 884 O GLU A 54 -4.695 5.461 -16.300 1.00 61.41 O ATOM 885 CB GLU A 54 -6.765 7.867 -15.105 1.00 64.52 C ATOM 886 CG GLU A 54 -8.003 8.701 -15.351 1.00 13.01 C ATOM 887 CD GLU A 54 -7.861 10.092 -14.778 1.00 13.12 C ATOM 888 OE1 GLU A 54 -7.926 10.241 -13.539 1.00 73.04 O ATOM 889 OE2 GLU A 54 -7.661 11.046 -15.558 1.00 4.14 O ATOM 0 H GLU A 54 -8.121 5.843 -14.233 1.00 33.22 H new ATOM 0 HA GLU A 54 -6.911 6.556 -16.802 1.00 33.03 H new ATOM 0 HB2 GLU A 54 -6.619 7.769 -14.029 1.00 64.52 H new ATOM 0 HB3 GLU A 54 -5.900 8.403 -15.496 1.00 64.52 H new ATOM 0 HG2 GLU A 54 -8.191 8.766 -16.423 1.00 13.01 H new ATOM 0 HG3 GLU A 54 -8.868 8.210 -14.905 1.00 13.01 H new ATOM 896 N GLU A 55 -5.264 5.520 -14.130 1.00 53.53 N ATOM 897 CA GLU A 55 -4.017 4.935 -13.672 1.00 42.31 C ATOM 898 C GLU A 55 -4.131 3.429 -13.502 1.00 61.10 C ATOM 899 O GLU A 55 -5.210 2.848 -13.649 1.00 72.52 O ATOM 900 CB GLU A 55 -3.595 5.566 -12.346 1.00 14.43 C ATOM 901 CG GLU A 55 -3.475 7.079 -12.388 1.00 51.30 C ATOM 902 CD GLU A 55 -2.398 7.561 -13.330 1.00 32.13 C ATOM 903 OE1 GLU A 55 -1.249 7.718 -12.890 1.00 75.10 O ATOM 904 OE2 GLU A 55 -2.700 7.795 -14.516 1.00 41.43 O ATOM 0 H GLU A 55 -5.937 5.711 -13.388 1.00 53.53 H new ATOM 0 HA GLU A 55 -3.263 5.135 -14.433 1.00 42.31 H new ATOM 0 HB2 GLU A 55 -4.319 5.291 -11.579 1.00 14.43 H new ATOM 0 HB3 GLU A 55 -2.636 5.145 -12.045 1.00 14.43 H new ATOM 0 HG2 GLU A 55 -4.432 7.505 -12.690 1.00 51.30 H new ATOM 0 HG3 GLU A 55 -3.264 7.449 -11.385 1.00 51.30 H new ATOM 911 N ASP A 56 -3.007 2.814 -13.199 1.00 74.00 N ATOM 912 CA ASP A 56 -2.927 1.388 -12.947 1.00 33.14 C ATOM 913 C ASP A 56 -2.135 1.152 -11.673 1.00 34.04 C ATOM 914 O ASP A 56 -1.087 1.772 -11.471 1.00 32.40 O ATOM 915 CB ASP A 56 -2.265 0.672 -14.127 1.00 45.34 C ATOM 916 CG ASP A 56 -1.859 -0.748 -13.800 1.00 44.31 C ATOM 917 OD1 ASP A 56 -2.742 -1.628 -13.718 1.00 74.45 O ATOM 918 OD2 ASP A 56 -0.651 -0.988 -13.625 1.00 41.45 O ATOM 0 H ASP A 56 -2.111 3.295 -13.119 1.00 74.00 H new ATOM 0 HA ASP A 56 -3.933 0.985 -12.829 1.00 33.14 H new ATOM 0 HB2 ASP A 56 -2.953 0.662 -14.972 1.00 45.34 H new ATOM 0 HB3 ASP A 56 -1.385 1.234 -14.439 1.00 45.34 H new ATOM 923 N PHE A 57 -2.631 0.265 -10.819 1.00 1.15 N ATOM 924 CA PHE A 57 -2.000 0.001 -9.529 1.00 33.44 C ATOM 925 C PHE A 57 -0.560 -0.471 -9.693 1.00 72.13 C ATOM 926 O PHE A 57 0.346 0.062 -9.054 1.00 41.31 O ATOM 927 CB PHE A 57 -2.804 -1.031 -8.735 1.00 21.22 C ATOM 928 CG PHE A 57 -2.332 -1.205 -7.317 1.00 62.43 C ATOM 929 CD1 PHE A 57 -1.330 -2.112 -7.007 1.00 71.24 C ATOM 930 CD2 PHE A 57 -2.891 -0.460 -6.298 1.00 73.11 C ATOM 931 CE1 PHE A 57 -0.899 -2.268 -5.706 1.00 61.11 C ATOM 932 CE2 PHE A 57 -2.463 -0.614 -4.998 1.00 1.32 C ATOM 933 CZ PHE A 57 -1.466 -1.518 -4.701 1.00 50.33 C ATOM 0 H PHE A 57 -3.471 -0.286 -10.996 1.00 1.15 H new ATOM 0 HA PHE A 57 -1.985 0.941 -8.977 1.00 33.44 H new ATOM 0 HB2 PHE A 57 -3.852 -0.733 -8.726 1.00 21.22 H new ATOM 0 HB3 PHE A 57 -2.751 -1.992 -9.247 1.00 21.22 H new ATOM 0 HD1 PHE A 57 -0.882 -2.703 -7.793 1.00 71.24 H new ATOM 0 HD2 PHE A 57 -3.672 0.251 -6.523 1.00 73.11 H new ATOM 0 HE1 PHE A 57 -0.118 -2.978 -5.476 1.00 61.11 H new ATOM 0 HE2 PHE A 57 -2.909 -0.025 -4.210 1.00 1.32 H new ATOM 0 HZ PHE A 57 -1.130 -1.638 -3.681 1.00 50.33 H new ATOM 943 N GLU A 58 -0.353 -1.462 -10.558 1.00 3.14 N ATOM 944 CA GLU A 58 0.982 -2.017 -10.785 1.00 11.41 C ATOM 945 C GLU A 58 1.944 -0.928 -11.227 1.00 71.23 C ATOM 946 O GLU A 58 3.045 -0.803 -10.695 1.00 24.51 O ATOM 947 CB GLU A 58 0.944 -3.111 -11.849 1.00 45.22 C ATOM 948 CG GLU A 58 -0.020 -4.242 -11.558 1.00 11.43 C ATOM 949 CD GLU A 58 0.080 -5.352 -12.579 1.00 13.14 C ATOM 950 OE1 GLU A 58 -0.363 -5.152 -13.735 1.00 25.30 O ATOM 951 OE2 GLU A 58 0.620 -6.427 -12.241 1.00 51.13 O ATOM 0 H GLU A 58 -1.090 -1.897 -11.113 1.00 3.14 H new ATOM 0 HA GLU A 58 1.325 -2.446 -9.844 1.00 11.41 H new ATOM 0 HB2 GLU A 58 0.677 -2.660 -12.805 1.00 45.22 H new ATOM 0 HB3 GLU A 58 1.946 -3.525 -11.961 1.00 45.22 H new ATOM 0 HG2 GLU A 58 0.183 -4.644 -10.565 1.00 11.43 H new ATOM 0 HG3 GLU A 58 -1.039 -3.855 -11.543 1.00 11.43 H new ATOM 958 N SER A 59 1.511 -0.143 -12.196 1.00 71.53 N ATOM 959 CA SER A 59 2.309 0.941 -12.738 1.00 14.04 C ATOM 960 C SER A 59 2.677 1.956 -11.651 1.00 40.23 C ATOM 961 O SER A 59 3.837 2.358 -11.531 1.00 41.31 O ATOM 962 CB SER A 59 1.542 1.624 -13.869 1.00 32.41 C ATOM 963 OG SER A 59 1.105 0.666 -14.830 1.00 63.43 O ATOM 0 H SER A 59 0.593 -0.240 -12.631 1.00 71.53 H new ATOM 0 HA SER A 59 3.238 0.526 -13.130 1.00 14.04 H new ATOM 0 HB2 SER A 59 0.683 2.157 -13.462 1.00 32.41 H new ATOM 0 HB3 SER A 59 2.179 2.366 -14.351 1.00 32.41 H new ATOM 0 HG SER A 59 0.396 0.112 -14.441 1.00 63.43 H new ATOM 969 N LEU A 60 1.692 2.348 -10.852 1.00 0.30 N ATOM 970 CA LEU A 60 1.916 3.312 -9.785 1.00 11.22 C ATOM 971 C LEU A 60 2.832 2.743 -8.712 1.00 62.53 C ATOM 972 O LEU A 60 3.732 3.426 -8.238 1.00 64.43 O ATOM 973 CB LEU A 60 0.592 3.758 -9.165 1.00 51.43 C ATOM 974 CG LEU A 60 -0.342 4.547 -10.083 1.00 64.20 C ATOM 975 CD1 LEU A 60 -1.634 4.878 -9.362 1.00 44.31 C ATOM 976 CD2 LEU A 60 0.335 5.819 -10.576 1.00 42.51 C ATOM 0 H LEU A 60 0.731 2.013 -10.924 1.00 0.30 H new ATOM 0 HA LEU A 60 2.404 4.181 -10.226 1.00 11.22 H new ATOM 0 HB2 LEU A 60 0.062 2.873 -8.812 1.00 51.43 H new ATOM 0 HB3 LEU A 60 0.811 4.369 -8.289 1.00 51.43 H new ATOM 0 HG LEU A 60 -0.576 3.928 -10.949 1.00 64.20 H new ATOM 0 HD11 LEU A 60 -2.289 5.440 -10.028 1.00 44.31 H new ATOM 0 HD12 LEU A 60 -2.129 3.955 -9.060 1.00 44.31 H new ATOM 0 HD13 LEU A 60 -1.414 5.478 -8.479 1.00 44.31 H new ATOM 0 HD21 LEU A 60 -0.347 6.365 -11.228 1.00 42.51 H new ATOM 0 HD22 LEU A 60 0.601 6.444 -9.723 1.00 42.51 H new ATOM 0 HD23 LEU A 60 1.237 5.560 -11.131 1.00 42.51 H new ATOM 988 N ALA A 61 2.613 1.485 -8.353 1.00 42.02 N ATOM 989 CA ALA A 61 3.414 0.826 -7.322 1.00 4.32 C ATOM 990 C ALA A 61 4.844 0.592 -7.791 1.00 32.55 C ATOM 991 O ALA A 61 5.747 0.421 -6.983 1.00 33.15 O ATOM 992 CB ALA A 61 2.768 -0.487 -6.902 1.00 52.23 C ATOM 0 H ALA A 61 1.886 0.897 -8.760 1.00 42.02 H new ATOM 0 HA ALA A 61 3.453 1.489 -6.458 1.00 4.32 H new ATOM 0 HB1 ALA A 61 3.378 -0.963 -6.134 1.00 52.23 H new ATOM 0 HB2 ALA A 61 1.772 -0.292 -6.505 1.00 52.23 H new ATOM 0 HB3 ALA A 61 2.691 -1.147 -7.766 1.00 52.23 H new ATOM 998 N SER A 62 5.045 0.587 -9.094 1.00 34.32 N ATOM 999 CA SER A 62 6.370 0.398 -9.651 1.00 64.44 C ATOM 1000 C SER A 62 7.142 1.716 -9.667 1.00 40.33 C ATOM 1001 O SER A 62 8.354 1.736 -9.878 1.00 53.43 O ATOM 1002 CB SER A 62 6.274 -0.180 -11.064 1.00 3.52 C ATOM 1003 OG SER A 62 5.578 -1.421 -11.060 1.00 64.21 O ATOM 0 H SER A 62 4.307 0.712 -9.787 1.00 34.32 H new ATOM 0 HA SER A 62 6.911 -0.308 -9.020 1.00 64.44 H new ATOM 0 HB2 SER A 62 5.761 0.527 -11.716 1.00 3.52 H new ATOM 0 HB3 SER A 62 7.275 -0.321 -11.472 1.00 3.52 H new ATOM 0 HG SER A 62 4.658 -1.279 -10.753 1.00 64.21 H new ATOM 1009 N GLN A 63 6.434 2.812 -9.438 1.00 51.24 N ATOM 1010 CA GLN A 63 7.048 4.127 -9.444 1.00 3.43 C ATOM 1011 C GLN A 63 7.007 4.766 -8.060 1.00 53.15 C ATOM 1012 O GLN A 63 8.043 5.035 -7.458 1.00 1.51 O ATOM 1013 CB GLN A 63 6.354 5.038 -10.460 1.00 42.31 C ATOM 1014 CG GLN A 63 6.424 4.531 -11.892 1.00 22.43 C ATOM 1015 CD GLN A 63 5.749 5.462 -12.884 1.00 32.44 C ATOM 1016 OE1 GLN A 63 6.150 5.542 -14.044 1.00 20.22 O ATOM 1017 NE2 GLN A 63 4.723 6.168 -12.438 1.00 23.53 N ATOM 0 H GLN A 63 5.432 2.814 -9.246 1.00 51.24 H new ATOM 0 HA GLN A 63 8.092 4.002 -9.731 1.00 3.43 H new ATOM 0 HB2 GLN A 63 5.308 5.152 -10.176 1.00 42.31 H new ATOM 0 HB3 GLN A 63 6.806 6.029 -10.413 1.00 42.31 H new ATOM 0 HG2 GLN A 63 7.469 4.402 -12.176 1.00 22.43 H new ATOM 0 HG3 GLN A 63 5.955 3.548 -11.947 1.00 22.43 H new ATOM 0 HE21 GLN A 63 4.421 6.073 -11.468 1.00 23.53 H new ATOM 0 HE22 GLN A 63 4.234 6.808 -13.064 1.00 23.53 H new ATOM 1026 N PHE A 64 5.807 4.985 -7.550 1.00 25.11 N ATOM 1027 CA PHE A 64 5.635 5.652 -6.275 1.00 21.54 C ATOM 1028 C PHE A 64 5.243 4.679 -5.179 1.00 41.34 C ATOM 1029 O PHE A 64 4.091 4.630 -4.751 1.00 42.34 O ATOM 1030 CB PHE A 64 4.612 6.784 -6.385 1.00 30.14 C ATOM 1031 CG PHE A 64 5.037 7.878 -7.318 1.00 23.13 C ATOM 1032 CD1 PHE A 64 5.831 8.919 -6.867 1.00 55.23 C ATOM 1033 CD2 PHE A 64 4.651 7.863 -8.648 1.00 4.24 C ATOM 1034 CE1 PHE A 64 6.231 9.923 -7.723 1.00 12.52 C ATOM 1035 CE2 PHE A 64 5.049 8.863 -9.509 1.00 42.30 C ATOM 1036 CZ PHE A 64 5.839 9.895 -9.046 1.00 63.52 C ATOM 0 H PHE A 64 4.936 4.709 -8.003 1.00 25.11 H new ATOM 0 HA PHE A 64 6.598 6.083 -6.002 1.00 21.54 H new ATOM 0 HB2 PHE A 64 3.662 6.374 -6.726 1.00 30.14 H new ATOM 0 HB3 PHE A 64 4.440 7.206 -5.395 1.00 30.14 H new ATOM 0 HD1 PHE A 64 6.141 8.945 -5.833 1.00 55.23 H new ATOM 0 HD2 PHE A 64 4.031 7.058 -9.015 1.00 4.24 H new ATOM 0 HE1 PHE A 64 6.850 10.730 -7.359 1.00 12.52 H new ATOM 0 HE2 PHE A 64 4.743 8.839 -10.544 1.00 42.30 H new ATOM 0 HZ PHE A 64 6.151 10.681 -9.719 1.00 63.52 H new ATOM 1046 N SER A 65 6.200 3.888 -4.767 1.00 1.45 N ATOM 1047 CA SER A 65 6.028 2.961 -3.677 1.00 21.32 C ATOM 1048 C SER A 65 7.362 2.789 -2.978 1.00 30.14 C ATOM 1049 O SER A 65 8.319 2.288 -3.570 1.00 71.33 O ATOM 1050 CB SER A 65 5.499 1.613 -4.185 1.00 73.32 C ATOM 1051 OG SER A 65 5.219 0.719 -3.112 1.00 41.13 O ATOM 0 H SER A 65 7.131 3.869 -5.183 1.00 1.45 H new ATOM 0 HA SER A 65 5.293 3.352 -2.974 1.00 21.32 H new ATOM 0 HB2 SER A 65 4.594 1.774 -4.770 1.00 73.32 H new ATOM 0 HB3 SER A 65 6.233 1.162 -4.852 1.00 73.32 H new ATOM 0 HG SER A 65 5.495 -0.188 -3.361 1.00 41.13 H new ATOM 1057 N ASP A 66 7.425 3.215 -1.732 1.00 33.13 N ATOM 1058 CA ASP A 66 8.659 3.175 -0.941 1.00 65.32 C ATOM 1059 C ASP A 66 8.916 1.771 -0.402 1.00 31.10 C ATOM 1060 O ASP A 66 9.350 1.596 0.739 1.00 70.13 O ATOM 1061 CB ASP A 66 8.570 4.160 0.231 1.00 45.03 C ATOM 1062 CG ASP A 66 8.152 5.554 -0.188 1.00 71.01 C ATOM 1063 OD1 ASP A 66 8.735 6.096 -1.144 1.00 5.13 O ATOM 1064 OD2 ASP A 66 7.240 6.119 0.452 1.00 43.13 O ATOM 0 H ASP A 66 6.625 3.601 -1.230 1.00 33.13 H new ATOM 0 HA ASP A 66 9.485 3.458 -1.594 1.00 65.32 H new ATOM 0 HB2 ASP A 66 7.858 3.779 0.963 1.00 45.03 H new ATOM 0 HB3 ASP A 66 9.539 4.213 0.727 1.00 45.03 H new ATOM 1069 N CYS A 67 8.671 0.783 -1.229 1.00 13.02 N ATOM 1070 CA CYS A 67 8.843 -0.593 -0.846 1.00 34.50 C ATOM 1071 C CYS A 67 9.495 -1.365 -1.985 1.00 3.45 C ATOM 1072 O CYS A 67 9.523 -0.897 -3.127 1.00 52.44 O ATOM 1073 CB CYS A 67 7.481 -1.206 -0.487 1.00 61.13 C ATOM 1074 SG CYS A 67 7.557 -2.884 0.184 1.00 45.42 S ATOM 0 H CYS A 67 8.346 0.913 -2.187 1.00 13.02 H new ATOM 0 HA CYS A 67 9.491 -0.649 0.029 1.00 34.50 H new ATOM 0 HB2 CYS A 67 6.989 -0.561 0.241 1.00 61.13 H new ATOM 0 HB3 CYS A 67 6.856 -1.215 -1.380 1.00 61.13 H new ATOM 0 HG CYS A 67 6.701 -3.002 1.155 1.00 45.42 H new ATOM 1080 N SER A 68 10.004 -2.549 -1.681 1.00 13.11 N ATOM 1081 CA SER A 68 10.654 -3.387 -2.676 1.00 53.42 C ATOM 1082 C SER A 68 9.635 -3.926 -3.692 1.00 13.15 C ATOM 1083 O SER A 68 10.007 -4.544 -4.695 1.00 34.11 O ATOM 1084 CB SER A 68 11.392 -4.542 -1.989 1.00 60.44 C ATOM 1085 OG SER A 68 12.180 -5.281 -2.910 1.00 62.54 O ATOM 0 H SER A 68 9.979 -2.953 -0.745 1.00 13.11 H new ATOM 0 HA SER A 68 11.378 -2.779 -3.219 1.00 53.42 H new ATOM 0 HB2 SER A 68 12.030 -4.147 -1.198 1.00 60.44 H new ATOM 0 HB3 SER A 68 10.669 -5.205 -1.514 1.00 60.44 H new ATOM 0 HG SER A 68 11.781 -5.221 -3.803 1.00 62.54 H new ATOM 1091 N SER A 69 8.354 -3.670 -3.434 1.00 10.02 N ATOM 1092 CA SER A 69 7.288 -4.106 -4.316 1.00 25.51 C ATOM 1093 C SER A 69 7.339 -3.358 -5.641 1.00 51.25 C ATOM 1094 O SER A 69 6.761 -3.799 -6.638 1.00 52.31 O ATOM 1095 CB SER A 69 5.933 -3.897 -3.643 1.00 75.32 C ATOM 1096 OG SER A 69 5.774 -2.555 -3.195 1.00 61.41 O ATOM 0 H SER A 69 8.033 -3.158 -2.612 1.00 10.02 H new ATOM 0 HA SER A 69 7.424 -5.168 -4.520 1.00 25.51 H new ATOM 0 HB2 SER A 69 5.136 -4.145 -4.344 1.00 75.32 H new ATOM 0 HB3 SER A 69 5.837 -4.578 -2.797 1.00 75.32 H new ATOM 0 HG SER A 69 4.834 -2.394 -2.970 1.00 61.41 H new ATOM 1102 N ALA A 70 8.054 -2.237 -5.649 1.00 72.14 N ATOM 1103 CA ALA A 70 8.196 -1.411 -6.838 1.00 24.31 C ATOM 1104 C ALA A 70 8.854 -2.179 -7.981 1.00 60.40 C ATOM 1105 O ALA A 70 8.684 -1.839 -9.146 1.00 71.43 O ATOM 1106 CB ALA A 70 8.997 -0.162 -6.513 1.00 40.51 C ATOM 0 H ALA A 70 8.549 -1.878 -4.832 1.00 72.14 H new ATOM 0 HA ALA A 70 7.197 -1.122 -7.166 1.00 24.31 H new ATOM 0 HB1 ALA A 70 9.098 0.449 -7.410 1.00 40.51 H new ATOM 0 HB2 ALA A 70 8.483 0.409 -5.740 1.00 40.51 H new ATOM 0 HB3 ALA A 70 9.986 -0.447 -6.155 1.00 40.51 H new ATOM 1112 N LYS A 71 9.596 -3.221 -7.643 1.00 61.44 N ATOM 1113 CA LYS A 71 10.276 -4.022 -8.651 1.00 3.00 C ATOM 1114 C LYS A 71 9.494 -5.299 -8.951 1.00 34.21 C ATOM 1115 O LYS A 71 9.893 -6.101 -9.795 1.00 43.51 O ATOM 1116 CB LYS A 71 11.694 -4.370 -8.189 1.00 72.21 C ATOM 1117 CG LYS A 71 12.554 -3.158 -7.851 1.00 54.22 C ATOM 1118 CD LYS A 71 12.669 -2.204 -9.032 1.00 60.15 C ATOM 1119 CE LYS A 71 13.582 -1.028 -8.712 1.00 3.40 C ATOM 1120 NZ LYS A 71 14.975 -1.465 -8.448 1.00 70.05 N ATOM 0 H LYS A 71 9.743 -3.532 -6.683 1.00 61.44 H new ATOM 0 HA LYS A 71 10.337 -3.433 -9.566 1.00 3.00 H new ATOM 0 HB2 LYS A 71 11.631 -5.013 -7.311 1.00 72.21 H new ATOM 0 HB3 LYS A 71 12.188 -4.946 -8.971 1.00 72.21 H new ATOM 0 HG2 LYS A 71 12.123 -2.632 -6.999 1.00 54.22 H new ATOM 0 HG3 LYS A 71 13.549 -3.489 -7.552 1.00 54.22 H new ATOM 0 HD2 LYS A 71 13.055 -2.741 -9.898 1.00 60.15 H new ATOM 0 HD3 LYS A 71 11.679 -1.835 -9.301 1.00 60.15 H new ATOM 0 HE2 LYS A 71 13.574 -0.325 -9.545 1.00 3.40 H new ATOM 0 HE3 LYS A 71 13.197 -0.496 -7.842 1.00 3.40 H new ATOM 0 HZ1 LYS A 71 15.610 -0.642 -8.486 1.00 70.05 H new ATOM 0 HZ2 LYS A 71 15.029 -1.901 -7.505 1.00 70.05 H new ATOM 0 HZ3 LYS A 71 15.263 -2.159 -9.167 1.00 70.05 H new ATOM 1134 N ALA A 72 8.374 -5.475 -8.269 1.00 71.21 N ATOM 1135 CA ALA A 72 7.552 -6.667 -8.437 1.00 44.34 C ATOM 1136 C ALA A 72 6.142 -6.303 -8.887 1.00 33.30 C ATOM 1137 O ALA A 72 5.219 -7.112 -8.775 1.00 74.43 O ATOM 1138 CB ALA A 72 7.508 -7.458 -7.137 1.00 65.14 C ATOM 0 H ALA A 72 8.010 -4.806 -7.591 1.00 71.21 H new ATOM 0 HA ALA A 72 8.002 -7.286 -9.214 1.00 44.34 H new ATOM 0 HB1 ALA A 72 6.892 -8.347 -7.272 1.00 65.14 H new ATOM 0 HB2 ALA A 72 8.519 -7.756 -6.858 1.00 65.14 H new ATOM 0 HB3 ALA A 72 7.082 -6.838 -6.348 1.00 65.14 H new ATOM 1144 N ARG A 73 5.989 -5.080 -9.406 1.00 74.01 N ATOM 1145 CA ARG A 73 4.691 -4.569 -9.887 1.00 53.20 C ATOM 1146 C ARG A 73 3.694 -4.415 -8.741 1.00 2.44 C ATOM 1147 O ARG A 73 2.491 -4.338 -8.961 1.00 54.11 O ATOM 1148 CB ARG A 73 4.106 -5.490 -10.967 1.00 74.12 C ATOM 1149 CG ARG A 73 4.999 -5.663 -12.178 1.00 64.14 C ATOM 1150 CD ARG A 73 4.409 -6.655 -13.164 1.00 15.11 C ATOM 1151 NE ARG A 73 3.136 -6.196 -13.720 1.00 22.20 N ATOM 1152 CZ ARG A 73 2.936 -5.929 -15.012 1.00 63.55 C ATOM 1153 NH1 ARG A 73 3.921 -6.096 -15.891 1.00 13.23 N ATOM 1154 NH2 ARG A 73 1.750 -5.512 -15.427 1.00 23.25 N ATOM 0 H ARG A 73 6.756 -4.415 -9.506 1.00 74.01 H new ATOM 0 HA ARG A 73 4.871 -3.585 -10.321 1.00 53.20 H new ATOM 0 HB2 ARG A 73 3.911 -6.469 -10.529 1.00 74.12 H new ATOM 0 HB3 ARG A 73 3.146 -5.089 -11.291 1.00 74.12 H new ATOM 0 HG2 ARG A 73 5.140 -4.700 -12.669 1.00 64.14 H new ATOM 0 HG3 ARG A 73 5.984 -6.006 -11.860 1.00 64.14 H new ATOM 0 HD2 ARG A 73 5.118 -6.823 -13.975 1.00 15.11 H new ATOM 0 HD3 ARG A 73 4.261 -7.614 -12.667 1.00 15.11 H new ATOM 0 HE ARG A 73 2.352 -6.072 -13.080 1.00 22.20 H new ATOM 0 HH11 ARG A 73 4.833 -6.429 -15.578 1.00 13.23 H new ATOM 0 HH12 ARG A 73 3.764 -5.891 -16.878 1.00 13.23 H new ATOM 0 HH21 ARG A 73 0.988 -5.395 -14.759 1.00 23.25 H new ATOM 0 HH22 ARG A 73 1.598 -5.308 -16.415 1.00 23.25 H new ATOM 1168 N GLY A 74 4.204 -4.357 -7.525 1.00 14.04 N ATOM 1169 CA GLY A 74 3.347 -4.224 -6.371 1.00 54.55 C ATOM 1170 C GLY A 74 3.122 -5.547 -5.670 1.00 1.24 C ATOM 1171 O GLY A 74 2.796 -5.578 -4.484 1.00 22.32 O ATOM 0 H GLY A 74 5.201 -4.400 -7.315 1.00 14.04 H new ATOM 0 HA2 GLY A 74 3.790 -3.515 -5.672 1.00 54.55 H new ATOM 0 HA3 GLY A 74 2.387 -3.810 -6.679 1.00 54.55 H new ATOM 1175 N ASP A 75 3.315 -6.637 -6.404 1.00 50.44 N ATOM 1176 CA ASP A 75 3.101 -7.992 -5.883 1.00 13.53 C ATOM 1177 C ASP A 75 3.920 -8.263 -4.625 1.00 60.32 C ATOM 1178 O ASP A 75 5.150 -8.142 -4.623 1.00 11.21 O ATOM 1179 CB ASP A 75 3.423 -9.033 -6.957 1.00 35.33 C ATOM 1180 CG ASP A 75 3.401 -10.451 -6.427 1.00 64.14 C ATOM 1181 OD1 ASP A 75 2.415 -10.834 -5.765 1.00 22.25 O ATOM 1182 OD2 ASP A 75 4.375 -11.191 -6.671 1.00 10.00 O ATOM 0 H ASP A 75 3.624 -6.612 -7.376 1.00 50.44 H new ATOM 0 HA ASP A 75 2.049 -8.069 -5.609 1.00 13.53 H new ATOM 0 HB2 ASP A 75 2.703 -8.943 -7.771 1.00 35.33 H new ATOM 0 HB3 ASP A 75 4.407 -8.822 -7.377 1.00 35.33 H new ATOM 1187 N LEU A 76 3.226 -8.627 -3.561 1.00 42.23 N ATOM 1188 CA LEU A 76 3.852 -8.924 -2.283 1.00 13.41 C ATOM 1189 C LEU A 76 4.295 -10.383 -2.258 1.00 22.41 C ATOM 1190 O LEU A 76 5.329 -10.729 -1.674 1.00 72.11 O ATOM 1191 CB LEU A 76 2.837 -8.660 -1.152 1.00 1.14 C ATOM 1192 CG LEU A 76 3.396 -8.247 0.218 1.00 61.41 C ATOM 1193 CD1 LEU A 76 2.269 -7.787 1.123 1.00 41.11 C ATOM 1194 CD2 LEU A 76 4.159 -9.383 0.874 1.00 0.32 C ATOM 0 H LEU A 76 2.211 -8.725 -3.558 1.00 42.23 H new ATOM 0 HA LEU A 76 4.726 -8.288 -2.141 1.00 13.41 H new ATOM 0 HB2 LEU A 76 2.155 -7.878 -1.487 1.00 1.14 H new ATOM 0 HB3 LEU A 76 2.243 -9.564 -1.015 1.00 1.14 H new ATOM 0 HG LEU A 76 4.093 -7.424 0.060 1.00 61.41 H new ATOM 0 HD11 LEU A 76 2.676 -7.496 2.092 1.00 41.11 H new ATOM 0 HD12 LEU A 76 1.764 -6.933 0.671 1.00 41.11 H new ATOM 0 HD13 LEU A 76 1.556 -8.600 1.258 1.00 41.11 H new ATOM 0 HD21 LEU A 76 4.540 -9.055 1.841 1.00 0.32 H new ATOM 0 HD22 LEU A 76 3.493 -10.234 1.016 1.00 0.32 H new ATOM 0 HD23 LEU A 76 4.993 -9.677 0.236 1.00 0.32 H new ATOM 1206 N GLY A 77 3.527 -11.220 -2.925 1.00 13.52 N ATOM 1207 CA GLY A 77 3.788 -12.633 -2.916 1.00 52.04 C ATOM 1208 C GLY A 77 2.839 -13.345 -1.984 1.00 32.20 C ATOM 1209 O GLY A 77 2.031 -12.701 -1.316 1.00 5.14 O ATOM 0 H GLY A 77 2.718 -10.940 -3.479 1.00 13.52 H new ATOM 0 HA2 GLY A 77 3.684 -13.033 -3.924 1.00 52.04 H new ATOM 0 HA3 GLY A 77 4.817 -12.816 -2.605 1.00 52.04 H new ATOM 1213 N ALA A 78 2.914 -14.658 -1.945 1.00 5.32 N ATOM 1214 CA ALA A 78 2.053 -15.437 -1.072 1.00 14.44 C ATOM 1215 C ALA A 78 2.601 -15.432 0.345 1.00 32.45 C ATOM 1216 O ALA A 78 3.705 -15.924 0.596 1.00 45.23 O ATOM 1217 CB ALA A 78 1.919 -16.862 -1.589 1.00 3.52 C ATOM 0 H ALA A 78 3.561 -15.211 -2.506 1.00 5.32 H new ATOM 0 HA ALA A 78 1.062 -14.983 -1.063 1.00 14.44 H new ATOM 0 HB1 ALA A 78 1.271 -17.431 -0.923 1.00 3.52 H new ATOM 0 HB2 ALA A 78 1.488 -16.847 -2.590 1.00 3.52 H new ATOM 0 HB3 ALA A 78 2.903 -17.330 -1.625 1.00 3.52 H new ATOM 1223 N PHE A 79 1.847 -14.870 1.264 1.00 50.41 N ATOM 1224 CA PHE A 79 2.278 -14.781 2.647 1.00 61.30 C ATOM 1225 C PHE A 79 1.152 -15.165 3.594 1.00 31.11 C ATOM 1226 O PHE A 79 -0.025 -15.141 3.219 1.00 52.23 O ATOM 1227 CB PHE A 79 2.774 -13.356 2.965 1.00 71.13 C ATOM 1228 CG PHE A 79 1.713 -12.285 2.844 1.00 2.04 C ATOM 1229 CD1 PHE A 79 1.365 -11.767 1.606 1.00 63.23 C ATOM 1230 CD2 PHE A 79 1.066 -11.799 3.971 1.00 12.33 C ATOM 1231 CE1 PHE A 79 0.395 -10.790 1.494 1.00 13.11 C ATOM 1232 CE2 PHE A 79 0.096 -10.821 3.864 1.00 54.43 C ATOM 1233 CZ PHE A 79 -0.240 -10.316 2.624 1.00 24.44 C ATOM 0 H PHE A 79 0.929 -14.466 1.080 1.00 50.41 H new ATOM 0 HA PHE A 79 3.100 -15.482 2.789 1.00 61.30 H new ATOM 0 HB2 PHE A 79 3.174 -13.341 3.979 1.00 71.13 H new ATOM 0 HB3 PHE A 79 3.597 -13.112 2.294 1.00 71.13 H new ATOM 0 HD1 PHE A 79 1.859 -12.132 0.718 1.00 63.23 H new ATOM 0 HD2 PHE A 79 1.324 -12.190 4.944 1.00 12.33 H new ATOM 0 HE1 PHE A 79 0.134 -10.397 0.523 1.00 13.11 H new ATOM 0 HE2 PHE A 79 -0.399 -10.452 4.750 1.00 54.43 H new ATOM 0 HZ PHE A 79 -0.998 -9.552 2.538 1.00 24.44 H new ATOM 1243 N SER A 80 1.517 -15.533 4.807 1.00 62.52 N ATOM 1244 CA SER A 80 0.547 -15.861 5.828 1.00 34.53 C ATOM 1245 C SER A 80 0.273 -14.630 6.690 1.00 0.12 C ATOM 1246 O SER A 80 0.980 -13.622 6.583 1.00 63.44 O ATOM 1247 CB SER A 80 1.051 -17.026 6.683 1.00 10.12 C ATOM 1248 OG SER A 80 2.354 -16.766 7.179 1.00 73.31 O ATOM 0 H SER A 80 2.488 -15.612 5.109 1.00 62.52 H new ATOM 0 HA SER A 80 -0.385 -16.169 5.355 1.00 34.53 H new ATOM 0 HB2 SER A 80 0.368 -17.193 7.516 1.00 10.12 H new ATOM 0 HB3 SER A 80 1.060 -17.940 6.090 1.00 10.12 H new ATOM 0 HG SER A 80 2.985 -16.714 6.431 1.00 73.31 H new ATOM 1254 N ARG A 81 -0.729 -14.713 7.551 1.00 64.22 N ATOM 1255 CA ARG A 81 -1.125 -13.578 8.381 1.00 32.12 C ATOM 1256 C ARG A 81 -0.009 -13.163 9.350 1.00 71.04 C ATOM 1257 O ARG A 81 0.159 -11.982 9.645 1.00 23.50 O ATOM 1258 CB ARG A 81 -2.422 -13.900 9.141 1.00 21.43 C ATOM 1259 CG ARG A 81 -2.260 -14.890 10.283 1.00 34.34 C ATOM 1260 CD ARG A 81 -3.600 -15.451 10.729 1.00 70.42 C ATOM 1261 NE ARG A 81 -4.603 -14.407 10.966 1.00 65.02 N ATOM 1262 CZ ARG A 81 -5.923 -14.621 10.891 1.00 63.03 C ATOM 1263 NH1 ARG A 81 -6.386 -15.841 10.640 1.00 53.03 N ATOM 1264 NH2 ARG A 81 -6.777 -13.622 11.073 1.00 62.42 N ATOM 0 H ARG A 81 -1.286 -15.555 7.696 1.00 64.22 H new ATOM 0 HA ARG A 81 -1.308 -12.730 7.721 1.00 32.12 H new ATOM 0 HB2 ARG A 81 -2.834 -12.972 9.538 1.00 21.43 H new ATOM 0 HB3 ARG A 81 -3.152 -14.297 8.435 1.00 21.43 H new ATOM 0 HG2 ARG A 81 -1.609 -15.706 9.969 1.00 34.34 H new ATOM 0 HG3 ARG A 81 -1.772 -14.399 11.125 1.00 34.34 H new ATOM 0 HD2 ARG A 81 -3.971 -16.139 9.970 1.00 70.42 H new ATOM 0 HD3 ARG A 81 -3.461 -16.029 11.643 1.00 70.42 H new ATOM 0 HE ARG A 81 -4.278 -13.469 11.200 1.00 65.02 H new ATOM 0 HH11 ARG A 81 -5.736 -16.615 10.504 1.00 53.03 H new ATOM 0 HH12 ARG A 81 -7.391 -16.003 10.583 1.00 53.03 H new ATOM 0 HH21 ARG A 81 -6.430 -12.684 11.271 1.00 62.42 H new ATOM 0 HH22 ARG A 81 -7.781 -13.792 11.014 1.00 62.42 H new ATOM 1278 N GLY A 82 0.769 -14.138 9.813 1.00 43.32 N ATOM 1279 CA GLY A 82 1.842 -13.856 10.754 1.00 45.04 C ATOM 1280 C GLY A 82 3.032 -13.174 10.108 1.00 60.32 C ATOM 1281 O GLY A 82 3.908 -12.653 10.796 1.00 11.55 O ATOM 0 H GLY A 82 0.676 -15.120 9.553 1.00 43.32 H new ATOM 0 HA2 GLY A 82 1.459 -13.224 11.555 1.00 45.04 H new ATOM 0 HA3 GLY A 82 2.170 -14.789 11.213 1.00 45.04 H new ATOM 1285 N GLN A 83 3.060 -13.160 8.788 1.00 62.04 N ATOM 1286 CA GLN A 83 4.153 -12.542 8.053 1.00 14.32 C ATOM 1287 C GLN A 83 3.782 -11.125 7.646 1.00 74.51 C ATOM 1288 O GLN A 83 4.331 -10.581 6.688 1.00 74.55 O ATOM 1289 CB GLN A 83 4.489 -13.360 6.804 1.00 75.35 C ATOM 1290 CG GLN A 83 4.888 -14.794 7.088 1.00 61.30 C ATOM 1291 CD GLN A 83 5.241 -15.554 5.827 1.00 32.05 C ATOM 1292 OE1 GLN A 83 4.377 -16.150 5.182 1.00 65.45 O ATOM 1293 NE2 GLN A 83 6.510 -15.545 5.467 1.00 53.40 N ATOM 0 H GLN A 83 2.336 -13.571 8.199 1.00 62.04 H new ATOM 0 HA GLN A 83 5.026 -12.511 8.704 1.00 14.32 H new ATOM 0 HB2 GLN A 83 3.624 -13.360 6.140 1.00 75.35 H new ATOM 0 HB3 GLN A 83 5.301 -12.868 6.269 1.00 75.35 H new ATOM 0 HG2 GLN A 83 5.741 -14.804 7.766 1.00 61.30 H new ATOM 0 HG3 GLN A 83 4.070 -15.302 7.598 1.00 61.30 H new ATOM 0 HE21 GLN A 83 7.196 -15.039 6.028 1.00 53.40 H new ATOM 0 HE22 GLN A 83 6.806 -16.044 4.628 1.00 53.40 H new ATOM 1302 N MET A 84 2.863 -10.524 8.381 1.00 34.53 N ATOM 1303 CA MET A 84 2.398 -9.192 8.059 1.00 10.43 C ATOM 1304 C MET A 84 2.036 -8.405 9.322 1.00 23.24 C ATOM 1305 O MET A 84 1.791 -8.992 10.380 1.00 54.41 O ATOM 1306 CB MET A 84 1.195 -9.290 7.118 1.00 44.40 C ATOM 1307 CG MET A 84 0.686 -7.958 6.620 1.00 40.23 C ATOM 1308 SD MET A 84 2.002 -6.917 5.942 1.00 62.25 S ATOM 1309 CE MET A 84 2.649 -7.982 4.654 1.00 45.04 C ATOM 0 H MET A 84 2.426 -10.939 9.204 1.00 34.53 H new ATOM 0 HA MET A 84 3.204 -8.651 7.562 1.00 10.43 H new ATOM 0 HB2 MET A 84 1.468 -9.905 6.261 1.00 44.40 H new ATOM 0 HB3 MET A 84 0.385 -9.805 7.635 1.00 44.40 H new ATOM 0 HG2 MET A 84 -0.070 -8.126 5.853 1.00 40.23 H new ATOM 0 HG3 MET A 84 0.197 -7.431 7.439 1.00 40.23 H new ATOM 0 HE1 MET A 84 3.409 -7.446 4.086 1.00 45.04 H new ATOM 0 HE2 MET A 84 3.092 -8.870 5.105 1.00 45.04 H new ATOM 0 HE3 MET A 84 1.840 -8.279 3.987 1.00 45.04 H new ATOM 1319 N GLN A 85 2.022 -7.075 9.204 1.00 15.11 N ATOM 1320 CA GLN A 85 1.673 -6.197 10.316 1.00 52.11 C ATOM 1321 C GLN A 85 0.206 -6.350 10.690 1.00 44.34 C ATOM 1322 O GLN A 85 -0.612 -6.757 9.865 1.00 11.51 O ATOM 1323 CB GLN A 85 1.985 -4.739 9.973 1.00 14.25 C ATOM 1324 CG GLN A 85 3.469 -4.439 9.894 1.00 13.21 C ATOM 1325 CD GLN A 85 3.767 -2.970 9.668 1.00 42.31 C ATOM 1326 OE1 GLN A 85 2.994 -2.090 10.067 1.00 5.24 O ATOM 1327 NE2 GLN A 85 4.891 -2.692 9.042 1.00 34.11 N ATOM 0 H GLN A 85 2.251 -6.582 8.341 1.00 15.11 H new ATOM 0 HA GLN A 85 2.277 -6.488 11.175 1.00 52.11 H new ATOM 0 HB2 GLN A 85 1.521 -4.492 9.018 1.00 14.25 H new ATOM 0 HB3 GLN A 85 1.531 -4.093 10.724 1.00 14.25 H new ATOM 0 HG2 GLN A 85 3.949 -4.763 10.817 1.00 13.21 H new ATOM 0 HG3 GLN A 85 3.909 -5.022 9.085 1.00 13.21 H new ATOM 0 HE21 GLN A 85 5.501 -3.447 8.729 1.00 34.11 H new ATOM 0 HE22 GLN A 85 5.152 -1.721 8.870 1.00 34.11 H new ATOM 1336 N LYS A 86 -0.122 -5.992 11.925 1.00 54.20 N ATOM 1337 CA LYS A 86 -1.481 -6.160 12.459 1.00 32.22 C ATOM 1338 C LYS A 86 -2.560 -5.454 11.593 1.00 4.44 C ATOM 1339 O LYS A 86 -3.511 -6.099 11.154 1.00 72.21 O ATOM 1340 CB LYS A 86 -1.565 -5.679 13.922 1.00 64.23 C ATOM 1341 CG LYS A 86 -0.412 -6.140 14.809 1.00 45.24 C ATOM 1342 CD LYS A 86 -0.254 -7.652 14.812 1.00 45.02 C ATOM 1343 CE LYS A 86 0.913 -8.078 15.691 1.00 1.53 C ATOM 1344 NZ LYS A 86 1.160 -9.537 15.617 1.00 10.10 N ATOM 0 H LYS A 86 0.536 -5.579 12.586 1.00 54.20 H new ATOM 0 HA LYS A 86 -1.694 -7.228 12.425 1.00 32.22 H new ATOM 0 HB2 LYS A 86 -1.600 -4.590 13.931 1.00 64.23 H new ATOM 0 HB3 LYS A 86 -2.502 -6.032 14.354 1.00 64.23 H new ATOM 0 HG2 LYS A 86 0.515 -5.681 14.464 1.00 45.24 H new ATOM 0 HG3 LYS A 86 -0.580 -5.793 15.828 1.00 45.24 H new ATOM 0 HD2 LYS A 86 -1.172 -8.116 15.171 1.00 45.02 H new ATOM 0 HD3 LYS A 86 -0.095 -8.006 13.794 1.00 45.02 H new ATOM 0 HE2 LYS A 86 1.812 -7.542 15.385 1.00 1.53 H new ATOM 0 HE3 LYS A 86 0.710 -7.797 16.724 1.00 1.53 H new ATOM 0 HZ1 LYS A 86 1.963 -9.785 16.230 1.00 10.10 H new ATOM 0 HZ2 LYS A 86 0.312 -10.049 15.933 1.00 10.10 H new ATOM 0 HZ3 LYS A 86 1.379 -9.803 14.636 1.00 10.10 H new ATOM 1358 N PRO A 87 -2.437 -4.118 11.334 1.00 11.34 N ATOM 1359 CA PRO A 87 -3.433 -3.381 10.533 1.00 23.22 C ATOM 1360 C PRO A 87 -3.528 -3.897 9.099 1.00 63.41 C ATOM 1361 O PRO A 87 -4.617 -4.012 8.539 1.00 65.14 O ATOM 1362 CB PRO A 87 -2.908 -1.936 10.538 1.00 24.22 C ATOM 1363 CG PRO A 87 -1.462 -2.053 10.874 1.00 11.52 C ATOM 1364 CD PRO A 87 -1.352 -3.226 11.798 1.00 71.43 C ATOM 0 HA PRO A 87 -4.436 -3.489 10.946 1.00 23.22 H new ATOM 0 HB2 PRO A 87 -3.051 -1.461 9.567 1.00 24.22 H new ATOM 0 HB3 PRO A 87 -3.436 -1.327 11.272 1.00 24.22 H new ATOM 0 HG2 PRO A 87 -0.863 -2.205 9.976 1.00 11.52 H new ATOM 0 HG3 PRO A 87 -1.096 -1.144 11.351 1.00 11.52 H new ATOM 0 HD2 PRO A 87 -0.376 -3.706 11.726 1.00 71.43 H new ATOM 0 HD3 PRO A 87 -1.487 -2.934 12.839 1.00 71.43 H new ATOM 1372 N PHE A 88 -2.383 -4.230 8.525 1.00 74.22 N ATOM 1373 CA PHE A 88 -2.320 -4.689 7.148 1.00 53.11 C ATOM 1374 C PHE A 88 -2.939 -6.086 7.018 1.00 11.35 C ATOM 1375 O PHE A 88 -3.577 -6.399 6.009 1.00 25.43 O ATOM 1376 CB PHE A 88 -0.863 -4.693 6.670 1.00 41.54 C ATOM 1377 CG PHE A 88 -0.692 -4.715 5.172 1.00 22.33 C ATOM 1378 CD1 PHE A 88 -0.873 -5.884 4.449 1.00 21.23 C ATOM 1379 CD2 PHE A 88 -0.332 -3.567 4.491 1.00 33.04 C ATOM 1380 CE1 PHE A 88 -0.701 -5.904 3.082 1.00 2.50 C ATOM 1381 CE2 PHE A 88 -0.161 -3.582 3.122 1.00 4.44 C ATOM 1382 CZ PHE A 88 -0.345 -4.753 2.418 1.00 12.31 C ATOM 0 H PHE A 88 -1.479 -4.190 8.996 1.00 74.22 H new ATOM 0 HA PHE A 88 -2.894 -4.008 6.520 1.00 53.11 H new ATOM 0 HB2 PHE A 88 -0.362 -3.810 7.066 1.00 41.54 H new ATOM 0 HB3 PHE A 88 -0.358 -5.562 7.093 1.00 41.54 H new ATOM 0 HD1 PHE A 88 -1.153 -6.791 4.964 1.00 21.23 H new ATOM 0 HD2 PHE A 88 -0.183 -2.647 5.037 1.00 33.04 H new ATOM 0 HE1 PHE A 88 -0.846 -6.822 2.532 1.00 2.50 H new ATOM 0 HE2 PHE A 88 0.117 -2.677 2.602 1.00 4.44 H new ATOM 0 HZ PHE A 88 -0.210 -4.767 1.347 1.00 12.31 H new ATOM 1392 N GLU A 89 -2.750 -6.910 8.050 1.00 51.02 N ATOM 1393 CA GLU A 89 -3.290 -8.268 8.075 1.00 4.41 C ATOM 1394 C GLU A 89 -4.806 -8.248 7.907 1.00 0.34 C ATOM 1395 O GLU A 89 -5.342 -8.767 6.926 1.00 72.24 O ATOM 1396 CB GLU A 89 -2.935 -8.959 9.401 1.00 61.32 C ATOM 1397 CG GLU A 89 -3.409 -10.403 9.490 1.00 53.13 C ATOM 1398 CD GLU A 89 -3.374 -10.951 10.903 1.00 73.25 C ATOM 1399 OE1 GLU A 89 -2.288 -11.334 11.379 1.00 63.31 O ATOM 1400 OE2 GLU A 89 -4.445 -11.011 11.547 1.00 51.11 O ATOM 0 H GLU A 89 -2.222 -6.656 8.885 1.00 51.02 H new ATOM 0 HA GLU A 89 -2.847 -8.822 7.247 1.00 4.41 H new ATOM 0 HB2 GLU A 89 -1.854 -8.933 9.535 1.00 61.32 H new ATOM 0 HB3 GLU A 89 -3.372 -8.392 10.223 1.00 61.32 H new ATOM 0 HG2 GLU A 89 -4.427 -10.470 9.105 1.00 53.13 H new ATOM 0 HG3 GLU A 89 -2.784 -11.025 8.849 1.00 53.13 H new ATOM 1407 N ASP A 90 -5.484 -7.618 8.860 1.00 65.12 N ATOM 1408 CA ASP A 90 -6.945 -7.548 8.860 1.00 34.35 C ATOM 1409 C ASP A 90 -7.477 -6.916 7.588 1.00 3.42 C ATOM 1410 O ASP A 90 -8.476 -7.365 7.035 1.00 63.31 O ATOM 1411 CB ASP A 90 -7.455 -6.778 10.083 1.00 23.25 C ATOM 1412 CG ASP A 90 -7.288 -7.554 11.371 1.00 62.34 C ATOM 1413 OD1 ASP A 90 -7.976 -8.580 11.542 1.00 4.51 O ATOM 1414 OD2 ASP A 90 -6.462 -7.151 12.217 1.00 64.12 O ATOM 0 H ASP A 90 -5.043 -7.145 9.649 1.00 65.12 H new ATOM 0 HA ASP A 90 -7.316 -8.572 8.908 1.00 34.35 H new ATOM 0 HB2 ASP A 90 -6.919 -5.832 10.161 1.00 23.25 H new ATOM 0 HB3 ASP A 90 -8.509 -6.537 9.942 1.00 23.25 H new ATOM 1419 N ALA A 91 -6.797 -5.886 7.119 1.00 64.24 N ATOM 1420 CA ALA A 91 -7.212 -5.184 5.919 1.00 31.34 C ATOM 1421 C ALA A 91 -7.198 -6.099 4.693 1.00 23.54 C ATOM 1422 O ALA A 91 -8.160 -6.132 3.929 1.00 43.42 O ATOM 1423 CB ALA A 91 -6.331 -3.967 5.687 1.00 41.53 C ATOM 0 H ALA A 91 -5.951 -5.516 7.553 1.00 64.24 H new ATOM 0 HA ALA A 91 -8.240 -4.853 6.068 1.00 31.34 H new ATOM 0 HB1 ALA A 91 -6.654 -3.451 4.783 1.00 41.53 H new ATOM 0 HB2 ALA A 91 -6.411 -3.292 6.539 1.00 41.53 H new ATOM 0 HB3 ALA A 91 -5.295 -4.285 5.572 1.00 41.53 H new ATOM 1429 N SER A 92 -6.120 -6.857 4.532 1.00 3.14 N ATOM 1430 CA SER A 92 -5.953 -7.727 3.367 1.00 21.14 C ATOM 1431 C SER A 92 -6.899 -8.928 3.404 1.00 43.32 C ATOM 1432 O SER A 92 -7.575 -9.229 2.418 1.00 20.31 O ATOM 1433 CB SER A 92 -4.509 -8.216 3.282 1.00 30.23 C ATOM 1434 OG SER A 92 -3.607 -7.130 3.309 1.00 71.31 O ATOM 0 H SER A 92 -5.345 -6.889 5.194 1.00 3.14 H new ATOM 0 HA SER A 92 -6.199 -7.137 2.484 1.00 21.14 H new ATOM 0 HB2 SER A 92 -4.299 -8.889 4.113 1.00 30.23 H new ATOM 0 HB3 SER A 92 -4.368 -8.788 2.365 1.00 30.23 H new ATOM 0 HG SER A 92 -3.526 -6.795 4.226 1.00 71.31 H new ATOM 1440 N PHE A 93 -6.954 -9.601 4.544 1.00 31.31 N ATOM 1441 CA PHE A 93 -7.762 -10.811 4.678 1.00 74.02 C ATOM 1442 C PHE A 93 -9.262 -10.522 4.625 1.00 1.34 C ATOM 1443 O PHE A 93 -10.059 -11.414 4.338 1.00 5.35 O ATOM 1444 CB PHE A 93 -7.397 -11.572 5.958 1.00 74.11 C ATOM 1445 CG PHE A 93 -6.056 -12.263 5.885 1.00 31.11 C ATOM 1446 CD1 PHE A 93 -4.882 -11.561 6.100 1.00 4.35 C ATOM 1447 CD2 PHE A 93 -5.976 -13.613 5.595 1.00 3.51 C ATOM 1448 CE1 PHE A 93 -3.656 -12.190 6.028 1.00 10.22 C ATOM 1449 CE2 PHE A 93 -4.750 -14.248 5.521 1.00 34.24 C ATOM 1450 CZ PHE A 93 -3.590 -13.536 5.738 1.00 3.44 C ATOM 0 H PHE A 93 -6.451 -9.333 5.390 1.00 31.31 H new ATOM 0 HA PHE A 93 -7.531 -11.442 3.820 1.00 74.02 H new ATOM 0 HB2 PHE A 93 -7.393 -10.876 6.797 1.00 74.11 H new ATOM 0 HB3 PHE A 93 -8.169 -12.314 6.163 1.00 74.11 H new ATOM 0 HD1 PHE A 93 -4.927 -10.506 6.327 1.00 4.35 H new ATOM 0 HD2 PHE A 93 -6.881 -14.177 5.425 1.00 3.51 H new ATOM 0 HE1 PHE A 93 -2.749 -11.629 6.199 1.00 10.22 H new ATOM 0 HE2 PHE A 93 -4.701 -15.303 5.293 1.00 34.24 H new ATOM 0 HZ PHE A 93 -2.632 -14.031 5.681 1.00 3.44 H new ATOM 1460 N ALA A 94 -9.647 -9.282 4.888 1.00 73.41 N ATOM 1461 CA ALA A 94 -11.056 -8.909 4.854 1.00 14.24 C ATOM 1462 C ALA A 94 -11.461 -8.357 3.484 1.00 13.20 C ATOM 1463 O ALA A 94 -12.603 -7.922 3.290 1.00 4.13 O ATOM 1464 CB ALA A 94 -11.374 -7.910 5.952 1.00 3.30 C ATOM 0 H ALA A 94 -9.010 -8.521 5.126 1.00 73.41 H new ATOM 0 HA ALA A 94 -11.640 -9.813 5.029 1.00 14.24 H new ATOM 0 HB1 ALA A 94 -12.430 -7.645 5.908 1.00 3.30 H new ATOM 0 HB2 ALA A 94 -11.151 -8.353 6.923 1.00 3.30 H new ATOM 0 HB3 ALA A 94 -10.769 -7.014 5.814 1.00 3.30 H new ATOM 1470 N LEU A 95 -10.527 -8.369 2.540 1.00 72.21 N ATOM 1471 CA LEU A 95 -10.815 -7.920 1.185 1.00 31.23 C ATOM 1472 C LEU A 95 -11.371 -9.067 0.363 1.00 41.52 C ATOM 1473 O LEU A 95 -10.998 -10.227 0.563 1.00 65.21 O ATOM 1474 CB LEU A 95 -9.562 -7.361 0.505 1.00 53.51 C ATOM 1475 CG LEU A 95 -9.033 -6.033 1.036 1.00 10.04 C ATOM 1476 CD1 LEU A 95 -7.760 -5.645 0.306 1.00 63.00 C ATOM 1477 CD2 LEU A 95 -10.082 -4.945 0.889 1.00 14.10 C ATOM 0 H LEU A 95 -9.568 -8.684 2.688 1.00 72.21 H new ATOM 0 HA LEU A 95 -11.555 -7.123 1.248 1.00 31.23 H new ATOM 0 HB2 LEU A 95 -8.768 -8.103 0.591 1.00 53.51 H new ATOM 0 HB3 LEU A 95 -9.775 -7.243 -0.557 1.00 53.51 H new ATOM 0 HG LEU A 95 -8.805 -6.149 2.096 1.00 10.04 H new ATOM 0 HD11 LEU A 95 -7.393 -4.695 0.695 1.00 63.00 H new ATOM 0 HD12 LEU A 95 -7.004 -6.416 0.458 1.00 63.00 H new ATOM 0 HD13 LEU A 95 -7.968 -5.545 -0.759 1.00 63.00 H new ATOM 0 HD21 LEU A 95 -9.687 -4.004 1.273 1.00 14.10 H new ATOM 0 HD22 LEU A 95 -10.339 -4.828 -0.164 1.00 14.10 H new ATOM 0 HD23 LEU A 95 -10.974 -5.221 1.452 1.00 14.10 H new ATOM 1489 N ARG A 96 -12.259 -8.748 -0.551 1.00 50.24 N ATOM 1490 CA ARG A 96 -12.879 -9.752 -1.404 1.00 51.54 C ATOM 1491 C ARG A 96 -11.972 -10.111 -2.590 1.00 74.23 C ATOM 1492 O ARG A 96 -10.848 -9.610 -2.698 1.00 61.32 O ATOM 1493 CB ARG A 96 -14.236 -9.250 -1.888 1.00 1.31 C ATOM 1494 CG ARG A 96 -15.203 -8.944 -0.757 1.00 13.33 C ATOM 1495 CD ARG A 96 -16.432 -8.215 -1.261 1.00 61.42 C ATOM 1496 NE ARG A 96 -17.368 -7.902 -0.184 1.00 75.42 N ATOM 1497 CZ ARG A 96 -17.569 -6.677 0.312 1.00 73.52 C ATOM 1498 NH1 ARG A 96 -16.833 -5.646 -0.107 1.00 25.41 N ATOM 1499 NH2 ARG A 96 -18.491 -6.490 1.246 1.00 74.03 N ATOM 0 H ARG A 96 -12.574 -7.794 -0.728 1.00 50.24 H new ATOM 0 HA ARG A 96 -13.026 -10.661 -0.821 1.00 51.54 H new ATOM 0 HB2 ARG A 96 -14.090 -8.350 -2.485 1.00 1.31 H new ATOM 0 HB3 ARG A 96 -14.680 -9.999 -2.543 1.00 1.31 H new ATOM 0 HG2 ARG A 96 -15.503 -9.873 -0.272 1.00 13.33 H new ATOM 0 HG3 ARG A 96 -14.702 -8.337 -0.003 1.00 13.33 H new ATOM 0 HD2 ARG A 96 -16.128 -7.292 -1.755 1.00 61.42 H new ATOM 0 HD3 ARG A 96 -16.934 -8.827 -2.010 1.00 61.42 H new ATOM 0 HE ARG A 96 -17.905 -8.671 0.217 1.00 75.42 H new ATOM 0 HH11 ARG A 96 -16.110 -5.789 -0.812 1.00 25.41 H new ATOM 0 HH12 ARG A 96 -16.994 -4.715 0.277 1.00 25.41 H new ATOM 0 HH21 ARG A 96 -19.043 -7.279 1.583 1.00 74.03 H new ATOM 0 HH22 ARG A 96 -18.648 -5.557 1.628 1.00 74.03 H new ATOM 1513 N THR A 97 -12.469 -10.969 -3.471 1.00 65.32 N ATOM 1514 CA THR A 97 -11.707 -11.437 -4.622 1.00 14.32 C ATOM 1515 C THR A 97 -11.361 -10.280 -5.572 1.00 11.12 C ATOM 1516 O THR A 97 -12.250 -9.635 -6.132 1.00 55.53 O ATOM 1517 CB THR A 97 -12.498 -12.522 -5.386 1.00 71.02 C ATOM 1518 OG1 THR A 97 -12.910 -13.550 -4.465 1.00 74.33 O ATOM 1519 CG2 THR A 97 -11.652 -13.145 -6.484 1.00 64.12 C ATOM 0 H THR A 97 -13.409 -11.360 -3.409 1.00 65.32 H new ATOM 0 HA THR A 97 -10.776 -11.865 -4.250 1.00 14.32 H new ATOM 0 HB THR A 97 -13.369 -12.053 -5.844 1.00 71.02 H new ATOM 0 HG1 THR A 97 -13.414 -14.239 -4.947 1.00 74.33 H new ATOM 0 HG21 THR A 97 -12.234 -13.905 -7.005 1.00 64.12 H new ATOM 0 HG22 THR A 97 -11.348 -12.373 -7.191 1.00 64.12 H new ATOM 0 HG23 THR A 97 -10.766 -13.604 -6.045 1.00 64.12 H new ATOM 1527 N GLY A 98 -10.063 -10.027 -5.737 1.00 72.15 N ATOM 1528 CA GLY A 98 -9.601 -8.947 -6.600 1.00 14.53 C ATOM 1529 C GLY A 98 -10.065 -7.572 -6.137 1.00 21.14 C ATOM 1530 O GLY A 98 -10.208 -6.650 -6.949 1.00 74.14 O ATOM 0 H GLY A 98 -9.317 -10.555 -5.285 1.00 72.15 H new ATOM 0 HA2 GLY A 98 -8.512 -8.962 -6.639 1.00 14.53 H new ATOM 0 HA3 GLY A 98 -9.959 -9.122 -7.614 1.00 14.53 H new ATOM 1534 N GLU A 99 -10.288 -7.432 -4.842 1.00 2.04 N ATOM 1535 CA GLU A 99 -10.768 -6.182 -4.274 1.00 13.21 C ATOM 1536 C GLU A 99 -9.596 -5.325 -3.775 1.00 41.05 C ATOM 1537 O GLU A 99 -8.525 -5.850 -3.444 1.00 44.24 O ATOM 1538 CB GLU A 99 -11.753 -6.486 -3.139 1.00 74.44 C ATOM 1539 CG GLU A 99 -12.485 -5.279 -2.583 1.00 44.00 C ATOM 1540 CD GLU A 99 -13.536 -5.670 -1.571 1.00 73.22 C ATOM 1541 OE1 GLU A 99 -13.164 -6.075 -0.455 1.00 33.51 O ATOM 1542 OE2 GLU A 99 -14.743 -5.579 -1.892 1.00 14.43 O ATOM 0 H GLU A 99 -10.143 -8.175 -4.158 1.00 2.04 H new ATOM 0 HA GLU A 99 -11.284 -5.611 -5.046 1.00 13.21 H new ATOM 0 HB2 GLU A 99 -12.489 -7.204 -3.500 1.00 74.44 H new ATOM 0 HB3 GLU A 99 -11.210 -6.968 -2.326 1.00 74.44 H new ATOM 0 HG2 GLU A 99 -11.768 -4.603 -2.118 1.00 44.00 H new ATOM 0 HG3 GLU A 99 -12.955 -4.732 -3.400 1.00 44.00 H new ATOM 1549 N MET A 100 -9.801 -4.012 -3.741 1.00 72.32 N ATOM 1550 CA MET A 100 -8.772 -3.076 -3.307 1.00 24.33 C ATOM 1551 C MET A 100 -9.248 -2.270 -2.101 1.00 35.42 C ATOM 1552 O MET A 100 -10.389 -1.793 -2.072 1.00 74.21 O ATOM 1553 CB MET A 100 -8.405 -2.131 -4.457 1.00 55.42 C ATOM 1554 CG MET A 100 -7.277 -1.160 -4.133 1.00 12.12 C ATOM 1555 SD MET A 100 -6.831 -0.112 -5.535 1.00 42.35 S ATOM 1556 CE MET A 100 -8.380 0.736 -5.835 1.00 1.12 C ATOM 0 H MET A 100 -10.679 -3.570 -4.012 1.00 72.32 H new ATOM 0 HA MET A 100 -7.890 -3.645 -3.015 1.00 24.33 H new ATOM 0 HB2 MET A 100 -8.119 -2.726 -5.324 1.00 55.42 H new ATOM 0 HB3 MET A 100 -9.290 -1.561 -4.740 1.00 55.42 H new ATOM 0 HG2 MET A 100 -7.575 -0.530 -3.295 1.00 12.12 H new ATOM 0 HG3 MET A 100 -6.400 -1.723 -3.812 1.00 12.12 H new ATOM 0 HE1 MET A 100 -8.185 1.680 -6.344 1.00 1.12 H new ATOM 0 HE2 MET A 100 -9.021 0.113 -6.458 1.00 1.12 H new ATOM 0 HE3 MET A 100 -8.877 0.932 -4.885 1.00 1.12 H new ATOM 1566 N SER A 101 -8.376 -2.118 -1.117 1.00 3.34 N ATOM 1567 CA SER A 101 -8.699 -1.381 0.093 1.00 72.14 C ATOM 1568 C SER A 101 -8.440 0.111 -0.095 1.00 42.12 C ATOM 1569 O SER A 101 -8.124 0.568 -1.199 1.00 11.23 O ATOM 1570 CB SER A 101 -7.855 -1.901 1.260 1.00 24.10 C ATOM 1571 OG SER A 101 -6.469 -1.712 1.009 1.00 4.11 O ATOM 0 H SER A 101 -7.430 -2.500 -1.134 1.00 3.34 H new ATOM 0 HA SER A 101 -9.757 -1.528 0.310 1.00 72.14 H new ATOM 0 HB2 SER A 101 -8.136 -1.383 2.177 1.00 24.10 H new ATOM 0 HB3 SER A 101 -8.059 -2.960 1.417 1.00 24.10 H new ATOM 0 HG SER A 101 -5.960 -1.900 1.825 1.00 4.11 H new ATOM 1577 N GLY A 102 -8.588 0.861 0.979 1.00 22.32 N ATOM 1578 CA GLY A 102 -8.299 2.266 0.944 1.00 3.15 C ATOM 1579 C GLY A 102 -6.986 2.560 1.633 1.00 60.45 C ATOM 1580 O GLY A 102 -6.106 1.696 1.675 1.00 61.22 O ATOM 0 H GLY A 102 -8.907 0.513 1.883 1.00 22.32 H new ATOM 0 HA2 GLY A 102 -8.257 2.608 -0.090 1.00 3.15 H new ATOM 0 HA3 GLY A 102 -9.102 2.820 1.430 1.00 3.15 H new ATOM 1584 N PRO A 103 -6.819 3.765 2.187 1.00 21.22 N ATOM 1585 CA PRO A 103 -5.596 4.145 2.892 1.00 21.12 C ATOM 1586 C PRO A 103 -5.389 3.329 4.174 1.00 52.32 C ATOM 1587 O PRO A 103 -6.086 3.532 5.175 1.00 74.42 O ATOM 1588 CB PRO A 103 -5.814 5.632 3.237 1.00 52.02 C ATOM 1589 CG PRO A 103 -6.949 6.071 2.371 1.00 22.34 C ATOM 1590 CD PRO A 103 -7.800 4.857 2.161 1.00 40.00 C ATOM 0 HA PRO A 103 -4.709 3.964 2.285 1.00 21.12 H new ATOM 0 HB2 PRO A 103 -6.051 5.761 4.293 1.00 52.02 H new ATOM 0 HB3 PRO A 103 -4.917 6.218 3.038 1.00 52.02 H new ATOM 0 HG2 PRO A 103 -7.518 6.869 2.848 1.00 22.34 H new ATOM 0 HG3 PRO A 103 -6.586 6.463 1.421 1.00 22.34 H new ATOM 0 HD2 PRO A 103 -8.549 4.747 2.945 1.00 40.00 H new ATOM 0 HD3 PRO A 103 -8.336 4.897 1.213 1.00 40.00 H new ATOM 1598 N VAL A 104 -4.457 2.391 4.124 1.00 24.12 N ATOM 1599 CA VAL A 104 -4.124 1.572 5.281 1.00 50.22 C ATOM 1600 C VAL A 104 -2.920 2.162 6.001 1.00 13.13 C ATOM 1601 O VAL A 104 -1.833 2.256 5.433 1.00 31.11 O ATOM 1602 CB VAL A 104 -3.813 0.110 4.874 1.00 73.33 C ATOM 1603 CG1 VAL A 104 -3.497 -0.741 6.098 1.00 23.04 C ATOM 1604 CG2 VAL A 104 -4.976 -0.485 4.095 1.00 61.34 C ATOM 0 H VAL A 104 -3.913 2.176 3.288 1.00 24.12 H new ATOM 0 HA VAL A 104 -4.990 1.565 5.944 1.00 50.22 H new ATOM 0 HB VAL A 104 -2.933 0.117 4.231 1.00 73.33 H new ATOM 0 HG11 VAL A 104 -3.282 -1.763 5.785 1.00 23.04 H new ATOM 0 HG12 VAL A 104 -2.629 -0.329 6.613 1.00 23.04 H new ATOM 0 HG13 VAL A 104 -4.353 -0.740 6.772 1.00 23.04 H new ATOM 0 HG21 VAL A 104 -4.740 -1.512 3.817 1.00 61.34 H new ATOM 0 HG22 VAL A 104 -5.873 -0.473 4.714 1.00 61.34 H new ATOM 0 HG23 VAL A 104 -5.150 0.104 3.194 1.00 61.34 H new ATOM 1614 N PHE A 105 -3.115 2.561 7.240 1.00 42.02 N ATOM 1615 CA PHE A 105 -2.053 3.192 8.011 1.00 15.22 C ATOM 1616 C PHE A 105 -1.175 2.151 8.693 1.00 11.54 C ATOM 1617 O PHE A 105 -1.676 1.184 9.268 1.00 22.33 O ATOM 1618 CB PHE A 105 -2.647 4.152 9.040 1.00 25.42 C ATOM 1619 CG PHE A 105 -3.553 5.184 8.431 1.00 73.25 C ATOM 1620 CD1 PHE A 105 -3.029 6.254 7.726 1.00 20.43 C ATOM 1621 CD2 PHE A 105 -4.928 5.080 8.559 1.00 35.10 C ATOM 1622 CE1 PHE A 105 -3.858 7.200 7.158 1.00 22.21 C ATOM 1623 CE2 PHE A 105 -5.762 6.024 7.995 1.00 10.41 C ATOM 1624 CZ PHE A 105 -5.226 7.086 7.293 1.00 40.03 C ATOM 0 H PHE A 105 -3.999 2.462 7.740 1.00 42.02 H new ATOM 0 HA PHE A 105 -1.424 3.759 7.324 1.00 15.22 H new ATOM 0 HB2 PHE A 105 -3.205 3.580 9.782 1.00 25.42 H new ATOM 0 HB3 PHE A 105 -1.837 4.655 9.568 1.00 25.42 H new ATOM 0 HD1 PHE A 105 -1.959 6.350 7.619 1.00 20.43 H new ATOM 0 HD2 PHE A 105 -5.352 4.251 9.106 1.00 35.10 H new ATOM 0 HE1 PHE A 105 -3.436 8.029 6.608 1.00 22.21 H new ATOM 0 HE2 PHE A 105 -6.833 5.932 8.102 1.00 10.41 H new ATOM 0 HZ PHE A 105 -5.877 7.826 6.851 1.00 40.03 H new ATOM 1634 N THR A 106 0.133 2.350 8.617 1.00 64.22 N ATOM 1635 CA THR A 106 1.091 1.426 9.209 1.00 20.14 C ATOM 1636 C THR A 106 2.194 2.182 9.954 1.00 34.03 C ATOM 1637 O THR A 106 2.066 3.382 10.229 1.00 3.11 O ATOM 1638 CB THR A 106 1.735 0.533 8.132 1.00 24.01 C ATOM 1639 OG1 THR A 106 2.293 1.358 7.105 1.00 61.35 O ATOM 1640 CG2 THR A 106 0.714 -0.424 7.526 1.00 72.13 C ATOM 0 H THR A 106 0.558 3.149 8.147 1.00 64.22 H new ATOM 0 HA THR A 106 0.543 0.801 9.914 1.00 20.14 H new ATOM 0 HB THR A 106 2.520 -0.062 8.600 1.00 24.01 H new ATOM 0 HG1 THR A 106 2.012 2.287 7.242 1.00 61.35 H new ATOM 0 HG21 THR A 106 1.198 -1.041 6.769 1.00 72.13 H new ATOM 0 HG22 THR A 106 0.305 -1.063 8.309 1.00 72.13 H new ATOM 0 HG23 THR A 106 -0.092 0.148 7.067 1.00 72.13 H new ATOM 1648 N ASP A 107 3.280 1.481 10.248 1.00 15.05 N ATOM 1649 CA ASP A 107 4.402 2.034 11.000 1.00 61.23 C ATOM 1650 C ASP A 107 5.253 2.990 10.158 1.00 13.11 C ATOM 1651 O ASP A 107 5.834 3.935 10.683 1.00 24.42 O ATOM 1652 CB ASP A 107 5.282 0.895 11.530 1.00 53.45 C ATOM 1653 CG ASP A 107 6.087 0.202 10.437 1.00 3.20 C ATOM 1654 OD1 ASP A 107 5.532 -0.052 9.342 1.00 2.54 O ATOM 1655 OD2 ASP A 107 7.278 -0.100 10.667 1.00 41.31 O ATOM 0 H ASP A 107 3.410 0.508 9.971 1.00 15.05 H new ATOM 0 HA ASP A 107 3.987 2.607 11.829 1.00 61.23 H new ATOM 0 HB2 ASP A 107 5.966 1.292 12.280 1.00 53.45 H new ATOM 0 HB3 ASP A 107 4.652 0.160 12.030 1.00 53.45 H new ATOM 1660 N SER A 108 5.333 2.739 8.862 1.00 74.44 N ATOM 1661 CA SER A 108 6.157 3.562 7.987 1.00 14.44 C ATOM 1662 C SER A 108 5.330 4.605 7.236 1.00 63.45 C ATOM 1663 O SER A 108 5.824 5.687 6.914 1.00 34.43 O ATOM 1664 CB SER A 108 6.920 2.677 7.005 1.00 11.44 C ATOM 1665 OG SER A 108 7.658 1.679 7.699 1.00 22.42 O ATOM 0 H SER A 108 4.842 1.978 8.393 1.00 74.44 H new ATOM 0 HA SER A 108 6.867 4.103 8.612 1.00 14.44 H new ATOM 0 HB2 SER A 108 6.221 2.205 6.314 1.00 11.44 H new ATOM 0 HB3 SER A 108 7.597 3.287 6.407 1.00 11.44 H new ATOM 0 HG SER A 108 8.139 1.120 7.054 1.00 22.42 H new ATOM 1671 N GLY A 109 4.078 4.288 6.965 1.00 61.02 N ATOM 1672 CA GLY A 109 3.236 5.217 6.248 1.00 63.43 C ATOM 1673 C GLY A 109 1.921 4.611 5.849 1.00 2.13 C ATOM 1674 O GLY A 109 1.355 3.801 6.586 1.00 61.22 O ATOM 0 H GLY A 109 3.631 3.409 7.226 1.00 61.02 H new ATOM 0 HA2 GLY A 109 3.055 6.093 6.871 1.00 63.43 H new ATOM 0 HA3 GLY A 109 3.759 5.562 5.356 1.00 63.43 H new ATOM 1678 N ILE A 110 1.440 4.979 4.683 1.00 55.12 N ATOM 1679 CA ILE A 110 0.165 4.493 4.202 1.00 74.30 C ATOM 1680 C ILE A 110 0.369 3.448 3.108 1.00 53.32 C ATOM 1681 O ILE A 110 1.287 3.557 2.294 1.00 53.15 O ATOM 1682 CB ILE A 110 -0.703 5.652 3.659 1.00 64.24 C ATOM 1683 CG1 ILE A 110 -0.760 6.793 4.681 1.00 24.43 C ATOM 1684 CG2 ILE A 110 -2.110 5.157 3.341 1.00 4.14 C ATOM 1685 CD1 ILE A 110 -1.517 8.012 4.200 1.00 74.41 C ATOM 0 H ILE A 110 1.916 5.618 4.046 1.00 55.12 H new ATOM 0 HA ILE A 110 -0.354 4.034 5.044 1.00 74.30 H new ATOM 0 HB ILE A 110 -0.251 6.026 2.741 1.00 64.24 H new ATOM 0 HG12 ILE A 110 -1.226 6.426 5.595 1.00 24.43 H new ATOM 0 HG13 ILE A 110 0.257 7.088 4.938 1.00 24.43 H new ATOM 0 HG21 ILE A 110 -2.709 5.984 2.960 1.00 4.14 H new ATOM 0 HG22 ILE A 110 -2.057 4.370 2.589 1.00 4.14 H new ATOM 0 HG23 ILE A 110 -2.570 4.763 4.247 1.00 4.14 H new ATOM 0 HD11 ILE A 110 -1.512 8.774 4.979 1.00 74.41 H new ATOM 0 HD12 ILE A 110 -1.039 8.407 3.303 1.00 74.41 H new ATOM 0 HD13 ILE A 110 -2.546 7.734 3.970 1.00 74.41 H new ATOM 1697 N HIS A 111 -0.466 2.423 3.119 1.00 73.20 N ATOM 1698 CA HIS A 111 -0.397 1.359 2.132 1.00 32.43 C ATOM 1699 C HIS A 111 -1.721 1.211 1.413 1.00 60.44 C ATOM 1700 O HIS A 111 -2.777 1.509 1.971 1.00 42.31 O ATOM 1701 CB HIS A 111 -0.060 0.008 2.786 1.00 32.21 C ATOM 1702 CG HIS A 111 1.310 -0.103 3.375 1.00 23.30 C ATOM 1703 ND1 HIS A 111 2.218 -1.068 2.994 1.00 34.42 N ATOM 1704 CD2 HIS A 111 1.904 0.594 4.356 1.00 11.54 C ATOM 1705 CE1 HIS A 111 3.309 -0.955 3.725 1.00 15.31 C ATOM 1706 NE2 HIS A 111 3.145 0.045 4.560 1.00 42.13 N ATOM 0 H HIS A 111 -1.208 2.305 3.809 1.00 73.20 H new ATOM 0 HA HIS A 111 0.389 1.632 1.428 1.00 32.43 H new ATOM 0 HB2 HIS A 111 -0.790 -0.187 3.572 1.00 32.21 H new ATOM 0 HB3 HIS A 111 -0.179 -0.776 2.039 1.00 32.21 H new ATOM 0 HD2 HIS A 111 1.482 1.434 4.888 1.00 11.54 H new ATOM 0 HE1 HIS A 111 4.188 -1.578 3.650 1.00 15.31 H new ATOM 0 HE2 HIS A 111 3.828 0.362 5.248 1.00 42.13 H new ATOM 1715 N ILE A 112 -1.653 0.764 0.180 1.00 3.32 N ATOM 1716 CA ILE A 112 -2.836 0.433 -0.588 1.00 1.40 C ATOM 1717 C ILE A 112 -2.770 -1.050 -0.912 1.00 41.10 C ATOM 1718 O ILE A 112 -1.733 -1.536 -1.386 1.00 43.34 O ATOM 1719 CB ILE A 112 -2.930 1.238 -1.907 1.00 50.23 C ATOM 1720 CG1 ILE A 112 -2.714 2.731 -1.646 1.00 52.21 C ATOM 1721 CG2 ILE A 112 -4.292 1.011 -2.561 1.00 31.44 C ATOM 1722 CD1 ILE A 112 -2.718 3.578 -2.904 1.00 11.23 C ATOM 0 H ILE A 112 -0.776 0.619 -0.321 1.00 3.32 H new ATOM 0 HA ILE A 112 -3.717 0.684 0.002 1.00 1.40 H new ATOM 0 HB ILE A 112 -2.148 0.890 -2.581 1.00 50.23 H new ATOM 0 HG12 ILE A 112 -3.494 3.090 -0.975 1.00 52.21 H new ATOM 0 HG13 ILE A 112 -1.763 2.867 -1.131 1.00 52.21 H new ATOM 0 HG21 ILE A 112 -4.350 1.581 -3.488 1.00 31.44 H new ATOM 0 HG22 ILE A 112 -4.419 -0.050 -2.778 1.00 31.44 H new ATOM 0 HG23 ILE A 112 -5.080 1.339 -1.884 1.00 31.44 H new ATOM 0 HD11 ILE A 112 -2.559 4.623 -2.639 1.00 11.23 H new ATOM 0 HD12 ILE A 112 -1.920 3.247 -3.568 1.00 11.23 H new ATOM 0 HD13 ILE A 112 -3.678 3.473 -3.410 1.00 11.23 H new ATOM 1734 N ILE A 113 -3.838 -1.772 -0.637 1.00 21.31 N ATOM 1735 CA ILE A 113 -3.841 -3.210 -0.834 1.00 65.21 C ATOM 1736 C ILE A 113 -4.777 -3.617 -1.961 1.00 2.24 C ATOM 1737 O ILE A 113 -5.974 -3.336 -1.921 1.00 44.22 O ATOM 1738 CB ILE A 113 -4.267 -3.946 0.455 1.00 40.23 C ATOM 1739 CG1 ILE A 113 -3.495 -3.401 1.659 1.00 61.32 C ATOM 1740 CG2 ILE A 113 -4.035 -5.448 0.308 1.00 34.10 C ATOM 1741 CD1 ILE A 113 -3.973 -3.943 2.987 1.00 12.24 C ATOM 0 H ILE A 113 -4.713 -1.389 -0.278 1.00 21.31 H new ATOM 0 HA ILE A 113 -2.822 -3.492 -1.097 1.00 65.21 H new ATOM 0 HB ILE A 113 -5.331 -3.774 0.620 1.00 40.23 H new ATOM 0 HG12 ILE A 113 -2.438 -3.639 1.539 1.00 61.32 H new ATOM 0 HG13 ILE A 113 -3.577 -2.314 1.670 1.00 61.32 H new ATOM 0 HG21 ILE A 113 -4.340 -5.955 1.224 1.00 34.10 H new ATOM 0 HG22 ILE A 113 -4.622 -5.827 -0.529 1.00 34.10 H new ATOM 0 HG23 ILE A 113 -2.977 -5.636 0.124 1.00 34.10 H new ATOM 0 HD11 ILE A 113 -3.378 -3.511 3.792 1.00 12.24 H new ATOM 0 HD12 ILE A 113 -5.022 -3.682 3.130 1.00 12.24 H new ATOM 0 HD13 ILE A 113 -3.864 -5.028 2.998 1.00 12.24 H new ATOM 1753 N LEU A 114 -4.224 -4.269 -2.959 1.00 20.45 N ATOM 1754 CA LEU A 114 -5.002 -4.776 -4.072 1.00 24.32 C ATOM 1755 C LEU A 114 -4.830 -6.280 -4.166 1.00 51.21 C ATOM 1756 O LEU A 114 -3.739 -6.764 -4.471 1.00 1.41 O ATOM 1757 CB LEU A 114 -4.561 -4.120 -5.387 1.00 2.34 C ATOM 1758 CG LEU A 114 -5.213 -4.680 -6.661 1.00 52.02 C ATOM 1759 CD1 LEU A 114 -6.695 -4.356 -6.701 1.00 11.45 C ATOM 1760 CD2 LEU A 114 -4.514 -4.150 -7.901 1.00 20.34 C ATOM 0 H LEU A 114 -3.225 -4.464 -3.024 1.00 20.45 H new ATOM 0 HA LEU A 114 -6.052 -4.536 -3.903 1.00 24.32 H new ATOM 0 HB2 LEU A 114 -4.776 -3.053 -5.330 1.00 2.34 H new ATOM 0 HB3 LEU A 114 -3.480 -4.223 -5.479 1.00 2.34 H new ATOM 0 HG LEU A 114 -5.105 -5.765 -6.645 1.00 52.02 H new ATOM 0 HD11 LEU A 114 -7.132 -4.764 -7.613 1.00 11.45 H new ATOM 0 HD12 LEU A 114 -7.187 -4.797 -5.834 1.00 11.45 H new ATOM 0 HD13 LEU A 114 -6.832 -3.275 -6.685 1.00 11.45 H new ATOM 0 HD21 LEU A 114 -4.992 -4.559 -8.791 1.00 20.34 H new ATOM 0 HD22 LEU A 114 -4.582 -3.062 -7.920 1.00 20.34 H new ATOM 0 HD23 LEU A 114 -3.466 -4.448 -7.883 1.00 20.34 H new ATOM 1772 N ARG A 115 -5.887 -7.023 -3.886 1.00 1.42 N ATOM 1773 CA ARG A 115 -5.813 -8.471 -3.965 1.00 54.04 C ATOM 1774 C ARG A 115 -5.685 -8.919 -5.401 1.00 4.32 C ATOM 1775 O ARG A 115 -6.429 -8.463 -6.277 1.00 24.11 O ATOM 1776 CB ARG A 115 -7.021 -9.143 -3.315 1.00 32.51 C ATOM 1777 CG ARG A 115 -7.082 -8.978 -1.811 1.00 40.43 C ATOM 1778 CD ARG A 115 -8.026 -9.987 -1.185 1.00 20.13 C ATOM 1779 NE ARG A 115 -7.574 -11.368 -1.383 1.00 31.22 N ATOM 1780 CZ ARG A 115 -8.202 -12.436 -0.900 1.00 23.12 C ATOM 1781 NH1 ARG A 115 -9.327 -12.298 -0.204 1.00 61.23 N ATOM 1782 NH2 ARG A 115 -7.708 -13.645 -1.110 1.00 40.52 N ATOM 0 H ARG A 115 -6.795 -6.653 -3.605 1.00 1.42 H new ATOM 0 HA ARG A 115 -4.925 -8.777 -3.412 1.00 54.04 H new ATOM 0 HB2 ARG A 115 -7.931 -8.733 -3.752 1.00 32.51 H new ATOM 0 HB3 ARG A 115 -7.004 -10.207 -3.553 1.00 32.51 H new ATOM 0 HG2 ARG A 115 -6.084 -9.099 -1.389 1.00 40.43 H new ATOM 0 HG3 ARG A 115 -7.411 -7.968 -1.567 1.00 40.43 H new ATOM 0 HD2 ARG A 115 -8.114 -9.785 -0.117 1.00 20.13 H new ATOM 0 HD3 ARG A 115 -9.020 -9.867 -1.615 1.00 20.13 H new ATOM 0 HE ARG A 115 -6.724 -11.519 -1.926 1.00 31.22 H new ATOM 0 HH11 ARG A 115 -9.713 -11.369 -0.038 1.00 61.23 H new ATOM 0 HH12 ARG A 115 -9.804 -13.122 0.164 1.00 61.23 H new ATOM 0 HH21 ARG A 115 -6.845 -13.758 -1.642 1.00 40.52 H new ATOM 0 HH22 ARG A 115 -8.190 -14.464 -0.739 1.00 40.52 H new ATOM 1796 N THR A 116 -4.738 -9.793 -5.646 1.00 71.22 N ATOM 1797 CA THR A 116 -4.516 -10.308 -6.970 1.00 31.31 C ATOM 1798 C THR A 116 -5.173 -11.682 -7.102 1.00 23.33 C ATOM 1799 O THR A 116 -5.129 -12.320 -8.161 1.00 11.14 O ATOM 1800 CB THR A 116 -3.008 -10.419 -7.265 1.00 35.21 C ATOM 1801 OG1 THR A 116 -2.316 -9.306 -6.667 1.00 63.14 O ATOM 1802 CG2 THR A 116 -2.755 -10.407 -8.766 1.00 24.20 C ATOM 0 H THR A 116 -4.105 -10.163 -4.937 1.00 71.22 H new ATOM 0 HA THR A 116 -4.959 -9.621 -7.691 1.00 31.31 H new ATOM 0 HB THR A 116 -2.642 -11.357 -6.847 1.00 35.21 H new ATOM 0 HG1 THR A 116 -1.357 -9.379 -6.854 1.00 63.14 H new ATOM 0 HG21 THR A 116 -1.684 -10.486 -8.955 1.00 24.20 H new ATOM 0 HG22 THR A 116 -3.269 -11.250 -9.228 1.00 24.20 H new ATOM 0 HG23 THR A 116 -3.131 -9.476 -9.191 1.00 24.20 H new ATOM 1810 N GLU A 117 -5.780 -12.129 -6.017 1.00 12.42 N ATOM 1811 CA GLU A 117 -6.454 -13.404 -5.982 1.00 21.51 C ATOM 1812 C GLU A 117 -7.760 -13.311 -5.187 1.00 52.55 C ATOM 1813 O GLU A 117 -8.554 -12.389 -5.469 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.520 -14.489 -5.413 1.00 22.42 C ATOM 1815 CG GLU A 117 -4.514 -13.990 -4.368 1.00 1.14 C ATOM 1816 CD GLU A 117 -5.147 -13.554 -3.058 1.00 62.22 C ATOM 1817 OE1 GLU A 117 -5.499 -12.359 -2.919 1.00 62.21 O ATOM 1818 OE2 GLU A 117 -5.280 -14.408 -2.149 1.00 2.03 O ATOM 1819 OXT GLU A 117 -8.002 -14.176 -4.314 1.00 0.00 O ATOM 0 H GLU A 117 -5.817 -11.614 -5.137 1.00 12.42 H new ATOM 0 HA GLU A 117 -6.715 -13.688 -7.002 1.00 21.51 H new ATOM 0 HB2 GLU A 117 -6.129 -15.274 -4.964 1.00 22.42 H new ATOM 0 HB3 GLU A 117 -4.971 -14.944 -6.237 1.00 22.42 H new ATOM 0 HG2 GLU A 117 -3.794 -14.782 -4.165 1.00 1.14 H new ATOM 0 HG3 GLU A 117 -3.957 -13.152 -4.787 1.00 1.14 H new TER 1826 GLU A 117