USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 961 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 44 HIS : no HD1:sc= -1.62 K(o=-3.3,f=-5.1) USER MOD Set 1.2: A 60 MET CE :methyl -166:sc= -1.7 (180deg=-2.56!) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= -0.36 USER MOD Set 2.2: A 28 GLN : amide:sc= 0 X(o=-0.36,f=-0.69) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00539 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00922) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 53 CYS SG : rot -88:sc= 1.07 USER MOD Single : A 55 GLN : amide:sc= -0.67 K(o=-0.67,f=-0.0034) USER MOD Single : A 56 MET CE :methyl 142:sc= -3.19! (180deg=-6.11!) USER MOD Single : A 57 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= -0.0746 (180deg=-0.998) USER MOD Single : A 69 GLN : amide:sc= 0.379 K(o=0.38,f=-9.9!) USER MOD Single : A 71 SER OG : rot -140:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc=-0.00808 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot -54:sc= 1.25 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 41:sc= 0.121 USER MOD Single : A 94 THR OG1 : rot -68:sc= 0.607 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.109 K(o=-0.11,f=0.71) USER MOD Single : A 101 SER OG : rot -53:sc= -0.0367 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -115:sc= 1.12 (180deg=-0.968) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 122 HIS : no HD1:sc= -5.8! C(o=-5.8!,f=-9.5!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.153 -20.507 -39.585 1.00 0.00 N ATOM 2 CA GLY A 1 -16.278 -19.351 -39.649 1.00 0.00 C ATOM 3 C GLY A 1 -15.904 -18.830 -38.275 1.00 0.00 C ATOM 4 O GLY A 1 -16.045 -17.640 -37.996 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.379 -20.825 -40.549 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.677 -21.275 -39.070 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.031 -20.251 -39.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.371 -19.615 -40.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.769 -18.558 -40.214 1.00 0.00 H new ATOM 8 N SER A 2 -15.427 -19.724 -37.415 1.00 0.00 N ATOM 9 CA SER A 2 -15.037 -19.349 -36.061 1.00 0.00 C ATOM 10 C SER A 2 -13.528 -19.142 -35.967 1.00 0.00 C ATOM 11 O SER A 2 -12.753 -20.092 -36.073 1.00 0.00 O ATOM 12 CB SER A 2 -15.478 -20.423 -35.064 1.00 0.00 C ATOM 13 OG SER A 2 -16.880 -20.384 -34.860 1.00 0.00 O ATOM 0 H SER A 2 -15.301 -20.713 -37.632 1.00 0.00 H new ATOM 0 HA SER A 2 -15.531 -18.409 -35.815 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.188 -21.407 -35.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.965 -20.275 -34.114 1.00 0.00 H new ATOM 0 HG SER A 2 -17.137 -21.081 -34.221 1.00 0.00 H new ATOM 19 N SER A 3 -13.120 -17.893 -35.769 1.00 0.00 N ATOM 20 CA SER A 3 -11.704 -17.559 -35.666 1.00 0.00 C ATOM 21 C SER A 3 -11.156 -17.937 -34.293 1.00 0.00 C ATOM 22 O SER A 3 -11.908 -18.303 -33.391 1.00 0.00 O ATOM 23 CB SER A 3 -11.491 -16.065 -35.919 1.00 0.00 C ATOM 24 OG SER A 3 -12.349 -15.283 -35.107 1.00 0.00 O ATOM 0 H SER A 3 -13.749 -17.096 -35.677 1.00 0.00 H new ATOM 0 HA SER A 3 -11.165 -18.129 -36.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.453 -15.803 -35.715 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.675 -15.841 -36.970 1.00 0.00 H new ATOM 0 HG SER A 3 -12.192 -14.332 -35.286 1.00 0.00 H new ATOM 30 N GLY A 4 -9.838 -17.844 -34.143 1.00 0.00 N ATOM 31 CA GLY A 4 -9.210 -18.179 -32.878 1.00 0.00 C ATOM 32 C GLY A 4 -8.930 -19.663 -32.745 1.00 0.00 C ATOM 33 O GLY A 4 -9.853 -20.476 -32.721 1.00 0.00 O ATOM 0 H GLY A 4 -9.194 -17.543 -34.875 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.276 -17.626 -32.782 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.855 -17.859 -32.060 1.00 0.00 H new ATOM 37 N SER A 5 -7.651 -20.016 -32.660 1.00 0.00 N ATOM 38 CA SER A 5 -7.251 -21.413 -32.535 1.00 0.00 C ATOM 39 C SER A 5 -6.470 -21.641 -31.244 1.00 0.00 C ATOM 40 O SER A 5 -6.087 -20.691 -30.562 1.00 0.00 O ATOM 41 CB SER A 5 -6.404 -21.833 -33.738 1.00 0.00 C ATOM 42 OG SER A 5 -7.190 -21.907 -34.914 1.00 0.00 O ATOM 0 H SER A 5 -6.875 -19.354 -32.675 1.00 0.00 H new ATOM 0 HA SER A 5 -8.154 -22.023 -32.505 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.593 -21.119 -33.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.944 -22.802 -33.543 1.00 0.00 H new ATOM 0 HG SER A 5 -6.625 -22.176 -35.669 1.00 0.00 H new ATOM 48 N SER A 6 -6.238 -22.908 -30.916 1.00 0.00 N ATOM 49 CA SER A 6 -5.507 -23.262 -29.705 1.00 0.00 C ATOM 50 C SER A 6 -4.007 -23.327 -29.976 1.00 0.00 C ATOM 51 O SER A 6 -3.565 -23.948 -30.942 1.00 0.00 O ATOM 52 CB SER A 6 -5.997 -24.606 -29.163 1.00 0.00 C ATOM 53 OG SER A 6 -5.164 -25.066 -28.112 1.00 0.00 O ATOM 0 H SER A 6 -6.546 -23.706 -31.472 1.00 0.00 H new ATOM 0 HA SER A 6 -5.691 -22.488 -28.959 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.021 -24.505 -28.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.013 -25.342 -29.967 1.00 0.00 H new ATOM 0 HG SER A 6 -5.499 -25.926 -27.781 1.00 0.00 H new ATOM 59 N GLY A 7 -3.227 -22.679 -29.116 1.00 0.00 N ATOM 60 CA GLY A 7 -1.785 -22.674 -29.279 1.00 0.00 C ATOM 61 C GLY A 7 -1.054 -22.912 -27.973 1.00 0.00 C ATOM 62 O GLY A 7 -1.522 -22.509 -26.909 1.00 0.00 O ATOM 0 H GLY A 7 -3.568 -22.157 -28.309 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.501 -23.444 -29.997 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.473 -21.717 -29.698 1.00 0.00 H new ATOM 66 N MET A 8 0.098 -23.570 -28.053 1.00 0.00 N ATOM 67 CA MET A 8 0.896 -23.862 -26.868 1.00 0.00 C ATOM 68 C MET A 8 2.189 -23.052 -26.870 1.00 0.00 C ATOM 69 O MET A 8 3.196 -23.474 -27.437 1.00 0.00 O ATOM 70 CB MET A 8 1.217 -25.356 -26.797 1.00 0.00 C ATOM 71 CG MET A 8 0.022 -26.217 -26.420 1.00 0.00 C ATOM 72 SD MET A 8 -0.231 -26.311 -24.637 1.00 0.00 S ATOM 73 CE MET A 8 -1.338 -27.715 -24.527 1.00 0.00 C ATOM 0 H MET A 8 0.500 -23.911 -28.926 1.00 0.00 H new ATOM 0 HA MET A 8 0.313 -23.581 -25.991 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.600 -25.683 -27.764 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.013 -25.514 -26.069 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.875 -25.813 -26.890 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.164 -27.222 -26.817 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.588 -27.900 -23.482 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.250 -27.504 -25.086 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.851 -28.596 -24.945 1.00 0.00 H new ATOM 83 N ALA A 9 2.153 -21.887 -26.231 1.00 0.00 N ATOM 84 CA ALA A 9 3.322 -21.019 -26.159 1.00 0.00 C ATOM 85 C ALA A 9 3.789 -20.848 -24.717 1.00 0.00 C ATOM 86 O ALA A 9 4.900 -21.243 -24.364 1.00 0.00 O ATOM 87 CB ALA A 9 3.013 -19.665 -26.779 1.00 0.00 C ATOM 0 H ALA A 9 1.327 -21.523 -25.756 1.00 0.00 H new ATOM 0 HA ALA A 9 4.128 -21.489 -26.722 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.895 -19.027 -26.718 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.733 -19.799 -27.824 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.189 -19.197 -26.240 1.00 0.00 H new ATOM 93 N ALA A 10 2.935 -20.257 -23.889 1.00 0.00 N ATOM 94 CA ALA A 10 3.260 -20.036 -22.485 1.00 0.00 C ATOM 95 C ALA A 10 2.029 -20.205 -21.602 1.00 0.00 C ATOM 96 O ALA A 10 0.975 -19.631 -21.873 1.00 0.00 O ATOM 97 CB ALA A 10 3.862 -18.651 -22.296 1.00 0.00 C ATOM 0 H ALA A 10 2.012 -19.922 -24.166 1.00 0.00 H new ATOM 0 HA ALA A 10 3.994 -20.784 -22.185 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.100 -18.498 -21.243 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.772 -18.566 -22.890 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.146 -17.896 -22.619 1.00 0.00 H new ATOM 103 N GLY A 11 2.169 -20.999 -20.545 1.00 0.00 N ATOM 104 CA GLY A 11 1.059 -21.230 -19.639 1.00 0.00 C ATOM 105 C GLY A 11 0.678 -19.987 -18.860 1.00 0.00 C ATOM 106 O GLY A 11 -0.298 -19.315 -19.191 1.00 0.00 O ATOM 0 H GLY A 11 3.031 -21.486 -20.300 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.196 -21.577 -20.208 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.323 -22.025 -18.942 1.00 0.00 H new ATOM 110 N ALA A 12 1.448 -19.682 -17.821 1.00 0.00 N ATOM 111 CA ALA A 12 1.185 -18.511 -16.993 1.00 0.00 C ATOM 112 C ALA A 12 1.171 -17.238 -17.832 1.00 0.00 C ATOM 113 O ALA A 12 2.211 -16.787 -18.311 1.00 0.00 O ATOM 114 CB ALA A 12 2.223 -18.405 -15.886 1.00 0.00 C ATOM 0 H ALA A 12 2.259 -20.229 -17.532 1.00 0.00 H new ATOM 0 HA ALA A 12 0.200 -18.628 -16.542 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.015 -17.526 -15.275 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.183 -19.298 -15.263 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.216 -18.314 -16.326 1.00 0.00 H new ATOM 120 N ALA A 13 -0.014 -16.663 -18.006 1.00 0.00 N ATOM 121 CA ALA A 13 -0.163 -15.440 -18.786 1.00 0.00 C ATOM 122 C ALA A 13 -0.940 -14.384 -18.007 1.00 0.00 C ATOM 123 O ALA A 13 -2.169 -14.345 -18.054 1.00 0.00 O ATOM 124 CB ALA A 13 -0.855 -15.739 -20.108 1.00 0.00 C ATOM 0 H ALA A 13 -0.885 -17.024 -17.617 1.00 0.00 H new ATOM 0 HA ALA A 13 0.832 -15.044 -18.990 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.960 -14.817 -20.680 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.260 -16.454 -20.677 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.842 -16.161 -19.915 1.00 0.00 H new ATOM 130 N GLU A 14 -0.214 -13.529 -17.293 1.00 0.00 N ATOM 131 CA GLU A 14 -0.837 -12.474 -16.503 1.00 0.00 C ATOM 132 C GLU A 14 0.161 -11.358 -16.203 1.00 0.00 C ATOM 133 O GLU A 14 1.307 -11.618 -15.837 1.00 0.00 O ATOM 134 CB GLU A 14 -1.390 -13.043 -15.195 1.00 0.00 C ATOM 135 CG GLU A 14 -2.523 -12.221 -14.604 1.00 0.00 C ATOM 136 CD GLU A 14 -3.457 -13.049 -13.744 1.00 0.00 C ATOM 137 OE1 GLU A 14 -2.992 -14.045 -13.151 1.00 0.00 O ATOM 138 OE2 GLU A 14 -4.654 -12.701 -13.663 1.00 0.00 O ATOM 0 H GLU A 14 0.805 -13.546 -17.246 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.659 -12.057 -17.085 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.743 -14.059 -15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.582 -13.108 -14.467 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.106 -11.412 -14.005 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.092 -11.760 -15.411 1.00 0.00 H new ATOM 145 N ALA A 15 -0.284 -10.116 -16.363 1.00 0.00 N ATOM 146 CA ALA A 15 0.568 -8.961 -16.108 1.00 0.00 C ATOM 147 C ALA A 15 0.076 -8.172 -14.900 1.00 0.00 C ATOM 148 O ALA A 15 -1.099 -8.235 -14.542 1.00 0.00 O ATOM 149 CB ALA A 15 0.625 -8.066 -17.338 1.00 0.00 C ATOM 0 H ALA A 15 -1.229 -9.884 -16.668 1.00 0.00 H new ATOM 0 HA ALA A 15 1.572 -9.323 -15.888 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.265 -7.207 -17.134 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.030 -8.629 -18.179 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.379 -7.720 -17.583 1.00 0.00 H new ATOM 155 N ALA A 16 0.984 -7.429 -14.275 1.00 0.00 N ATOM 156 CA ALA A 16 0.642 -6.627 -13.107 1.00 0.00 C ATOM 157 C ALA A 16 1.351 -5.277 -13.141 1.00 0.00 C ATOM 158 O ALA A 16 2.573 -5.210 -13.266 1.00 0.00 O ATOM 159 CB ALA A 16 0.992 -7.377 -11.830 1.00 0.00 C ATOM 0 H ALA A 16 1.962 -7.366 -14.558 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.432 -6.444 -13.125 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.731 -6.766 -10.966 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.435 -8.313 -11.794 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.061 -7.590 -11.814 1.00 0.00 H new ATOM 165 N VAL A 17 0.575 -4.203 -13.030 1.00 0.00 N ATOM 166 CA VAL A 17 1.129 -2.855 -13.048 1.00 0.00 C ATOM 167 C VAL A 17 1.315 -2.318 -11.633 1.00 0.00 C ATOM 168 O VAL A 17 0.412 -2.406 -10.802 1.00 0.00 O ATOM 169 CB VAL A 17 0.227 -1.888 -13.838 1.00 0.00 C ATOM 170 CG1 VAL A 17 0.823 -0.488 -13.847 1.00 0.00 C ATOM 171 CG2 VAL A 17 0.016 -2.396 -15.257 1.00 0.00 C ATOM 0 H VAL A 17 -0.439 -4.241 -12.927 1.00 0.00 H new ATOM 0 HA VAL A 17 2.100 -2.918 -13.540 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.744 -1.840 -13.345 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.172 0.181 -14.410 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.917 -0.126 -12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.807 -0.515 -14.315 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.624 -1.701 -15.801 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.979 -2.475 -15.762 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.458 -3.377 -15.226 1.00 0.00 H new ATOM 181 N ALA A 18 2.492 -1.761 -11.367 1.00 0.00 N ATOM 182 CA ALA A 18 2.795 -1.208 -10.054 1.00 0.00 C ATOM 183 C ALA A 18 2.231 0.202 -9.908 1.00 0.00 C ATOM 184 O ALA A 18 2.881 1.086 -9.351 1.00 0.00 O ATOM 185 CB ALA A 18 4.298 -1.204 -9.817 1.00 0.00 C ATOM 0 H ALA A 18 3.251 -1.681 -12.044 1.00 0.00 H new ATOM 0 HA ALA A 18 2.321 -1.840 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.510 -0.788 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.677 -2.225 -9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.785 -0.596 -10.580 1.00 0.00 H new ATOM 191 N ALA A 19 1.018 0.403 -10.413 1.00 0.00 N ATOM 192 CA ALA A 19 0.367 1.705 -10.338 1.00 0.00 C ATOM 193 C ALA A 19 -0.994 1.599 -9.657 1.00 0.00 C ATOM 194 O ALA A 19 -1.691 0.593 -9.794 1.00 0.00 O ATOM 195 CB ALA A 19 0.218 2.302 -11.729 1.00 0.00 C ATOM 0 H ALA A 19 0.467 -0.319 -10.878 1.00 0.00 H new ATOM 0 HA ALA A 19 0.995 2.364 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.270 3.274 -11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.203 2.422 -12.181 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.386 1.638 -12.347 1.00 0.00 H new ATOM 201 N VAL A 20 -1.366 2.643 -8.923 1.00 0.00 N ATOM 202 CA VAL A 20 -2.644 2.667 -8.222 1.00 0.00 C ATOM 203 C VAL A 20 -3.799 2.897 -9.191 1.00 0.00 C ATOM 204 O VAL A 20 -3.836 3.902 -9.899 1.00 0.00 O ATOM 205 CB VAL A 20 -2.670 3.764 -7.140 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.010 3.772 -6.420 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.527 3.567 -6.156 1.00 0.00 C ATOM 0 H VAL A 20 -0.801 3.483 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.762 1.694 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.540 4.732 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.010 4.553 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.808 3.964 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.174 2.804 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.560 4.350 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.624 2.593 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.577 3.616 -6.688 1.00 0.00 H new ATOM 217 N GLU A 21 -4.739 1.957 -9.215 1.00 0.00 N ATOM 218 CA GLU A 21 -5.895 2.058 -10.098 1.00 0.00 C ATOM 219 C GLU A 21 -6.864 3.130 -9.607 1.00 0.00 C ATOM 220 O GLU A 21 -7.034 3.321 -8.403 1.00 0.00 O ATOM 221 CB GLU A 21 -6.614 0.710 -10.190 1.00 0.00 C ATOM 222 CG GLU A 21 -6.083 -0.189 -11.294 1.00 0.00 C ATOM 223 CD GLU A 21 -6.662 -1.589 -11.236 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.720 -1.821 -11.857 1.00 0.00 O ATOM 225 OE2 GLU A 21 -6.056 -2.453 -10.568 1.00 0.00 O ATOM 0 H GLU A 21 -4.723 1.119 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.539 2.341 -11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.521 0.192 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.677 0.885 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.314 0.256 -12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.997 -0.246 -11.220 1.00 0.00 H new ATOM 232 N GLU A 22 -7.494 3.826 -10.548 1.00 0.00 N ATOM 233 CA GLU A 22 -8.443 4.880 -10.210 1.00 0.00 C ATOM 234 C GLU A 22 -9.878 4.367 -10.296 1.00 0.00 C ATOM 235 O GLU A 22 -10.379 4.068 -11.380 1.00 0.00 O ATOM 236 CB GLU A 22 -8.262 6.079 -11.143 1.00 0.00 C ATOM 237 CG GLU A 22 -8.750 7.391 -10.552 1.00 0.00 C ATOM 238 CD GLU A 22 -8.481 8.576 -11.458 1.00 0.00 C ATOM 239 OE1 GLU A 22 -7.363 8.658 -12.009 1.00 0.00 O ATOM 240 OE2 GLU A 22 -9.386 9.420 -11.616 1.00 0.00 O ATOM 0 H GLU A 22 -7.365 3.679 -11.549 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.248 5.194 -9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.206 6.175 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.797 5.888 -12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.821 7.322 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.263 7.556 -9.591 1.00 0.00 H new ATOM 247 N VAL A 23 -10.535 4.268 -9.144 1.00 0.00 N ATOM 248 CA VAL A 23 -11.912 3.793 -9.088 1.00 0.00 C ATOM 249 C VAL A 23 -12.892 4.957 -8.997 1.00 0.00 C ATOM 250 O VAL A 23 -12.870 5.727 -8.039 1.00 0.00 O ATOM 251 CB VAL A 23 -12.133 2.855 -7.886 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.589 2.421 -7.808 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.213 1.647 -7.977 1.00 0.00 C ATOM 0 H VAL A 23 -10.135 4.511 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.094 3.240 -10.010 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.891 3.400 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.726 1.759 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.225 3.299 -7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.861 1.894 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.383 0.995 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.421 1.099 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.175 1.980 -7.980 1.00 0.00 H new ATOM 263 N GLY A 24 -13.753 5.078 -10.004 1.00 0.00 N ATOM 264 CA GLY A 24 -14.730 6.151 -10.018 1.00 0.00 C ATOM 265 C GLY A 24 -16.148 5.641 -10.181 1.00 0.00 C ATOM 266 O GLY A 24 -16.977 6.286 -10.823 1.00 0.00 O ATOM 0 H GLY A 24 -13.791 4.453 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.656 6.718 -9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.499 6.839 -10.832 1.00 0.00 H new ATOM 270 N SER A 25 -16.428 4.479 -9.599 1.00 0.00 N ATOM 271 CA SER A 25 -17.755 3.880 -9.687 1.00 0.00 C ATOM 272 C SER A 25 -17.888 2.710 -8.716 1.00 0.00 C ATOM 273 O SER A 25 -16.990 1.876 -8.606 1.00 0.00 O ATOM 274 CB SER A 25 -18.030 3.406 -11.115 1.00 0.00 C ATOM 275 OG SER A 25 -16.999 2.549 -11.576 1.00 0.00 O ATOM 0 H SER A 25 -15.754 3.934 -9.062 1.00 0.00 H new ATOM 0 HA SER A 25 -18.488 4.640 -9.417 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.985 2.882 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.114 4.267 -11.777 1.00 0.00 H new ATOM 0 HG SER A 25 -17.199 2.259 -12.490 1.00 0.00 H new ATOM 281 N ALA A 26 -19.015 2.657 -8.015 1.00 0.00 N ATOM 282 CA ALA A 26 -19.269 1.590 -7.055 1.00 0.00 C ATOM 283 C ALA A 26 -19.135 0.220 -7.709 1.00 0.00 C ATOM 284 O ALA A 26 -18.465 -0.668 -7.183 1.00 0.00 O ATOM 285 CB ALA A 26 -20.651 1.751 -6.439 1.00 0.00 C ATOM 0 H ALA A 26 -19.768 3.341 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.521 1.661 -6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.827 0.947 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.712 2.711 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.406 1.710 -7.224 1.00 0.00 H new ATOM 291 N GLY A 27 -19.777 0.054 -8.862 1.00 0.00 N ATOM 292 CA GLY A 27 -19.717 -1.212 -9.569 1.00 0.00 C ATOM 293 C GLY A 27 -18.294 -1.674 -9.811 1.00 0.00 C ATOM 294 O GLY A 27 -17.988 -2.858 -9.675 1.00 0.00 O ATOM 0 H GLY A 27 -20.337 0.774 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.249 -1.971 -8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.232 -1.116 -10.525 1.00 0.00 H new ATOM 298 N GLN A 28 -17.423 -0.738 -10.173 1.00 0.00 N ATOM 299 CA GLN A 28 -16.025 -1.057 -10.437 1.00 0.00 C ATOM 300 C GLN A 28 -15.361 -1.659 -9.202 1.00 0.00 C ATOM 301 O GLN A 28 -14.713 -2.702 -9.280 1.00 0.00 O ATOM 302 CB GLN A 28 -15.268 0.197 -10.877 1.00 0.00 C ATOM 303 CG GLN A 28 -13.775 -0.026 -11.059 1.00 0.00 C ATOM 304 CD GLN A 28 -13.142 0.991 -11.989 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.627 2.115 -12.121 1.00 0.00 O ATOM 306 NE2 GLN A 28 -12.052 0.601 -12.639 1.00 0.00 N ATOM 0 H GLN A 28 -17.660 0.247 -10.290 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.992 -1.793 -11.240 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.690 0.556 -11.816 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.422 0.983 -10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.283 0.021 -10.087 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.607 -1.028 -11.454 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.684 -0.340 -12.499 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.582 1.243 -13.278 1.00 0.00 H new ATOM 315 N PHE A 29 -15.527 -0.993 -8.064 1.00 0.00 N ATOM 316 CA PHE A 29 -14.943 -1.462 -6.813 1.00 0.00 C ATOM 317 C PHE A 29 -15.509 -2.824 -6.425 1.00 0.00 C ATOM 318 O PHE A 29 -14.767 -3.790 -6.251 1.00 0.00 O ATOM 319 CB PHE A 29 -15.203 -0.451 -5.694 1.00 0.00 C ATOM 320 CG PHE A 29 -14.852 -0.966 -4.327 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.586 -1.462 -4.064 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.789 -0.954 -3.306 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.259 -1.936 -2.807 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.468 -1.426 -2.048 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.202 -1.919 -1.798 1.00 0.00 C ATOM 0 H PHE A 29 -16.061 -0.128 -7.982 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.868 -1.564 -6.959 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.628 0.453 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.256 -0.169 -5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.845 -1.479 -4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.781 -0.571 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.268 -2.319 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.207 -1.410 -1.260 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.950 -2.290 -0.816 1.00 0.00 H new ATOM 335 N GLU A 30 -16.830 -2.893 -6.289 1.00 0.00 N ATOM 336 CA GLU A 30 -17.496 -4.136 -5.920 1.00 0.00 C ATOM 337 C GLU A 30 -17.078 -5.274 -6.848 1.00 0.00 C ATOM 338 O GLU A 30 -16.922 -6.415 -6.415 1.00 0.00 O ATOM 339 CB GLU A 30 -19.015 -3.960 -5.964 1.00 0.00 C ATOM 340 CG GLU A 30 -19.542 -2.964 -4.946 1.00 0.00 C ATOM 341 CD GLU A 30 -21.002 -3.195 -4.604 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.422 -4.371 -4.566 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.723 -2.202 -4.374 1.00 0.00 O ATOM 0 H GLU A 30 -17.459 -2.103 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.196 -4.390 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.306 -3.634 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.489 -4.926 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.945 -3.030 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.420 -1.953 -5.335 1.00 0.00 H new ATOM 350 N GLU A 31 -16.899 -4.952 -8.125 1.00 0.00 N ATOM 351 CA GLU A 31 -16.501 -5.947 -9.114 1.00 0.00 C ATOM 352 C GLU A 31 -15.081 -6.440 -8.848 1.00 0.00 C ATOM 353 O GLU A 31 -14.835 -7.644 -8.769 1.00 0.00 O ATOM 354 CB GLU A 31 -16.594 -5.362 -10.525 1.00 0.00 C ATOM 355 CG GLU A 31 -16.166 -6.331 -11.615 1.00 0.00 C ATOM 356 CD GLU A 31 -15.718 -5.625 -12.879 1.00 0.00 C ATOM 357 OE1 GLU A 31 -16.592 -5.141 -13.629 1.00 0.00 O ATOM 358 OE2 GLU A 31 -14.494 -5.556 -13.120 1.00 0.00 O ATOM 0 H GLU A 31 -17.023 -4.011 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.182 -6.794 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.621 -5.048 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.972 -4.468 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.352 -6.954 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.996 -6.997 -11.850 1.00 0.00 H new ATOM 365 N LEU A 32 -14.151 -5.502 -8.712 1.00 0.00 N ATOM 366 CA LEU A 32 -12.756 -5.839 -8.456 1.00 0.00 C ATOM 367 C LEU A 32 -12.633 -6.774 -7.257 1.00 0.00 C ATOM 368 O LEU A 32 -11.931 -7.785 -7.314 1.00 0.00 O ATOM 369 CB LEU A 32 -11.940 -4.568 -8.211 1.00 0.00 C ATOM 370 CG LEU A 32 -10.435 -4.679 -8.458 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.114 -4.430 -9.923 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.676 -3.703 -7.570 1.00 0.00 C ATOM 0 H LEU A 32 -14.338 -4.501 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.365 -6.351 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.335 -3.778 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.096 -4.253 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.118 -5.691 -8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.038 -4.513 -10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.628 -5.168 -10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.445 -3.430 -10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.606 -3.795 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.997 -2.685 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.880 -3.929 -6.523 1.00 0.00 H new ATOM 384 N LEU A 33 -13.321 -6.432 -6.174 1.00 0.00 N ATOM 385 CA LEU A 33 -13.291 -7.243 -4.961 1.00 0.00 C ATOM 386 C LEU A 33 -13.179 -8.726 -5.300 1.00 0.00 C ATOM 387 O LEU A 33 -12.400 -9.455 -4.686 1.00 0.00 O ATOM 388 CB LEU A 33 -14.548 -6.992 -4.126 1.00 0.00 C ATOM 389 CG LEU A 33 -14.477 -5.827 -3.139 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.770 -5.721 -2.344 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.287 -5.989 -2.206 1.00 0.00 C ATOM 0 H LEU A 33 -13.906 -5.599 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.414 -6.955 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.382 -6.816 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.777 -7.900 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.346 -4.905 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.701 -4.886 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.604 -5.556 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.933 -6.645 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.253 -5.150 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.387 -6.920 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.367 -6.013 -2.790 1.00 0.00 H new ATOM 403 N ARG A 34 -13.960 -9.164 -6.281 1.00 0.00 N ATOM 404 CA ARG A 34 -13.947 -10.560 -6.703 1.00 0.00 C ATOM 405 C ARG A 34 -12.720 -10.858 -7.560 1.00 0.00 C ATOM 406 O ARG A 34 -12.066 -11.887 -7.389 1.00 0.00 O ATOM 407 CB ARG A 34 -15.221 -10.891 -7.483 1.00 0.00 C ATOM 408 CG ARG A 34 -16.456 -11.016 -6.607 1.00 0.00 C ATOM 409 CD ARG A 34 -17.671 -11.445 -7.416 1.00 0.00 C ATOM 410 NE ARG A 34 -18.919 -11.217 -6.691 1.00 0.00 N ATOM 411 CZ ARG A 34 -19.408 -12.059 -5.788 1.00 0.00 C ATOM 412 NH1 ARG A 34 -18.758 -13.179 -5.499 1.00 0.00 N ATOM 413 NH2 ARG A 34 -20.550 -11.782 -5.171 1.00 0.00 N ATOM 0 H ARG A 34 -14.610 -8.573 -6.799 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.904 -11.183 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.392 -10.115 -8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.073 -11.826 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.270 -11.742 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.658 -10.061 -6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.693 -10.895 -8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.585 -12.502 -7.666 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.443 -10.365 -6.889 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.880 -13.395 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.136 -13.824 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.053 -10.922 -5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.925 -12.429 -4.478 1.00 0.00 H new ATOM 427 N LEU A 35 -12.415 -9.951 -8.482 1.00 0.00 N ATOM 428 CA LEU A 35 -11.267 -10.117 -9.367 1.00 0.00 C ATOM 429 C LEU A 35 -9.971 -10.196 -8.568 1.00 0.00 C ATOM 430 O LEU A 35 -9.266 -11.205 -8.604 1.00 0.00 O ATOM 431 CB LEU A 35 -11.196 -8.958 -10.363 1.00 0.00 C ATOM 432 CG LEU A 35 -12.100 -9.073 -11.591 1.00 0.00 C ATOM 433 CD1 LEU A 35 -13.512 -8.618 -11.259 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.534 -8.260 -12.747 1.00 0.00 C ATOM 0 H LEU A 35 -12.946 -9.094 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.392 -11.052 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.447 -8.037 -9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.165 -8.860 -10.703 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.139 -10.120 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.141 -8.707 -12.145 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.917 -9.242 -10.462 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.492 -7.579 -10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.190 -8.353 -13.613 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.465 -7.212 -12.455 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.542 -8.632 -13.002 1.00 0.00 H new ATOM 446 N LYS A 36 -9.662 -9.125 -7.844 1.00 0.00 N ATOM 447 CA LYS A 36 -8.452 -9.073 -7.032 1.00 0.00 C ATOM 448 C LYS A 36 -8.705 -9.644 -5.640 1.00 0.00 C ATOM 449 O LYS A 36 -8.191 -9.132 -4.646 1.00 0.00 O ATOM 450 CB LYS A 36 -7.949 -7.632 -6.920 1.00 0.00 C ATOM 451 CG LYS A 36 -7.647 -6.988 -8.262 1.00 0.00 C ATOM 452 CD LYS A 36 -6.356 -7.522 -8.859 1.00 0.00 C ATOM 453 CE LYS A 36 -6.078 -6.910 -10.224 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.104 -7.720 -11.006 1.00 0.00 N ATOM 0 H LYS A 36 -10.233 -8.281 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.690 -9.680 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.697 -7.034 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.047 -7.617 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.472 -7.175 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.573 -5.907 -8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.526 -7.306 -8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.418 -8.606 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.011 -6.826 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.691 -5.899 -10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.941 -7.270 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.205 -7.779 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.485 -8.677 -11.149 1.00 0.00 H new ATOM 468 N ALA A 37 -9.500 -10.707 -5.577 1.00 0.00 N ATOM 469 CA ALA A 37 -9.819 -11.348 -4.307 1.00 0.00 C ATOM 470 C ALA A 37 -8.634 -12.156 -3.788 1.00 0.00 C ATOM 471 O ALA A 37 -8.213 -11.993 -2.643 1.00 0.00 O ATOM 472 CB ALA A 37 -11.042 -12.240 -4.459 1.00 0.00 C ATOM 0 H ALA A 37 -9.935 -11.142 -6.390 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.040 -10.567 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.269 -12.712 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.893 -11.639 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.841 -13.009 -5.205 1.00 0.00 H new ATOM 478 N LYS A 38 -8.100 -13.028 -4.637 1.00 0.00 N ATOM 479 CA LYS A 38 -6.963 -13.861 -4.264 1.00 0.00 C ATOM 480 C LYS A 38 -5.861 -13.023 -3.626 1.00 0.00 C ATOM 481 O LYS A 38 -5.272 -13.417 -2.619 1.00 0.00 O ATOM 482 CB LYS A 38 -6.417 -14.592 -5.492 1.00 0.00 C ATOM 483 CG LYS A 38 -7.318 -15.710 -5.986 1.00 0.00 C ATOM 484 CD LYS A 38 -6.747 -16.381 -7.224 1.00 0.00 C ATOM 485 CE LYS A 38 -7.841 -17.023 -8.064 1.00 0.00 C ATOM 486 NZ LYS A 38 -8.593 -16.014 -8.860 1.00 0.00 N ATOM 0 H LYS A 38 -8.437 -13.176 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.305 -14.595 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.271 -13.872 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.437 -15.006 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.447 -16.450 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.306 -15.309 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.211 -15.645 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.022 -17.139 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.399 -17.759 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.531 -17.560 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.561 -16.355 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.628 -15.116 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.116 -15.865 -9.772 1.00 0.00 H new ATOM 500 N SER A 39 -5.587 -11.864 -4.217 1.00 0.00 N ATOM 501 CA SER A 39 -4.553 -10.971 -3.706 1.00 0.00 C ATOM 502 C SER A 39 -5.125 -10.018 -2.661 1.00 0.00 C ATOM 503 O SER A 39 -6.339 -9.957 -2.458 1.00 0.00 O ATOM 504 CB SER A 39 -3.928 -10.173 -4.852 1.00 0.00 C ATOM 505 OG SER A 39 -2.854 -10.885 -5.443 1.00 0.00 O ATOM 0 H SER A 39 -6.066 -11.522 -5.050 1.00 0.00 H new ATOM 0 HA SER A 39 -3.783 -11.580 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.686 -9.959 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.571 -9.213 -4.479 1.00 0.00 H new ATOM 0 HG SER A 39 -2.473 -10.355 -6.173 1.00 0.00 H new ATOM 511 N LEU A 40 -4.243 -9.277 -2.000 1.00 0.00 N ATOM 512 CA LEU A 40 -4.659 -8.326 -0.975 1.00 0.00 C ATOM 513 C LEU A 40 -5.058 -6.992 -1.598 1.00 0.00 C ATOM 514 O LEU A 40 -4.270 -6.368 -2.310 1.00 0.00 O ATOM 515 CB LEU A 40 -3.532 -8.112 0.037 1.00 0.00 C ATOM 516 CG LEU A 40 -3.682 -6.905 0.963 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.822 -7.123 1.946 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.380 -6.637 1.705 1.00 0.00 C ATOM 0 H LEU A 40 -3.236 -9.316 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.527 -8.740 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.448 -9.008 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.594 -8.011 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.917 -6.032 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.913 -6.253 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.753 -7.265 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.618 -8.007 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.505 -5.774 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.115 -7.510 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.586 -6.435 0.986 1.00 0.00 H new ATOM 530 N LEU A 41 -6.284 -6.560 -1.325 1.00 0.00 N ATOM 531 CA LEU A 41 -6.787 -5.299 -1.857 1.00 0.00 C ATOM 532 C LEU A 41 -6.704 -4.194 -0.808 1.00 0.00 C ATOM 533 O LEU A 41 -6.959 -4.425 0.374 1.00 0.00 O ATOM 534 CB LEU A 41 -8.233 -5.462 -2.329 1.00 0.00 C ATOM 535 CG LEU A 41 -8.722 -4.443 -3.359 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.246 -4.823 -4.753 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.239 -4.335 -3.323 1.00 0.00 C ATOM 0 H LEU A 41 -6.948 -7.065 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.164 -5.017 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.345 -6.460 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.886 -5.410 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.302 -3.469 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.603 -4.087 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.156 -4.849 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.637 -5.806 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.569 -3.605 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.678 -5.306 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.558 -4.016 -2.331 1.00 0.00 H new ATOM 549 N VAL A 42 -6.349 -2.992 -1.250 1.00 0.00 N ATOM 550 CA VAL A 42 -6.236 -1.849 -0.351 1.00 0.00 C ATOM 551 C VAL A 42 -6.896 -0.612 -0.948 1.00 0.00 C ATOM 552 O VAL A 42 -6.337 0.038 -1.832 1.00 0.00 O ATOM 553 CB VAL A 42 -4.763 -1.529 -0.033 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.662 -0.277 0.825 1.00 0.00 C ATOM 555 CG2 VAL A 42 -4.098 -2.711 0.656 1.00 0.00 C ATOM 0 H VAL A 42 -6.135 -2.784 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.749 -2.120 0.572 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.239 -1.342 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.614 -0.067 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.100 0.566 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.200 -0.433 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.058 -2.467 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.621 -2.931 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.138 -3.582 0.003 1.00 0.00 H new ATOM 565 N VAL A 43 -8.090 -0.291 -0.460 1.00 0.00 N ATOM 566 CA VAL A 43 -8.827 0.870 -0.944 1.00 0.00 C ATOM 567 C VAL A 43 -8.370 2.144 -0.241 1.00 0.00 C ATOM 568 O VAL A 43 -8.483 2.267 0.979 1.00 0.00 O ATOM 569 CB VAL A 43 -10.343 0.699 -0.737 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.089 1.944 -1.192 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.845 -0.533 -1.475 1.00 0.00 C ATOM 0 H VAL A 43 -8.568 -0.819 0.270 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.620 0.953 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.533 0.560 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.159 1.804 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.749 2.804 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.895 2.118 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.918 -0.639 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.643 -0.426 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.334 -1.418 -1.096 1.00 0.00 H new ATOM 581 N HIS A 44 -7.853 3.090 -1.019 1.00 0.00 N ATOM 582 CA HIS A 44 -7.379 4.356 -0.472 1.00 0.00 C ATOM 583 C HIS A 44 -8.320 5.496 -0.848 1.00 0.00 C ATOM 584 O HIS A 44 -8.494 5.807 -2.027 1.00 0.00 O ATOM 585 CB HIS A 44 -5.967 4.656 -0.975 1.00 0.00 C ATOM 586 CG HIS A 44 -5.579 6.097 -0.846 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.334 6.911 -1.932 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.397 6.871 0.250 1.00 0.00 C ATOM 589 CE1 HIS A 44 -5.016 8.121 -1.510 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.048 8.124 -0.190 1.00 0.00 N ATOM 0 H HIS A 44 -7.752 3.003 -2.030 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.358 4.270 0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.255 4.045 -0.420 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.892 4.360 -2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.506 6.561 1.279 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.771 8.965 -2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.846 8.927 0.406 1.00 0.00 H new ATOM 599 N PHE A 45 -8.924 6.116 0.160 1.00 0.00 N ATOM 600 CA PHE A 45 -9.848 7.222 -0.065 1.00 0.00 C ATOM 601 C PHE A 45 -9.091 8.507 -0.388 1.00 0.00 C ATOM 602 O PHE A 45 -8.281 8.979 0.410 1.00 0.00 O ATOM 603 CB PHE A 45 -10.733 7.433 1.164 1.00 0.00 C ATOM 604 CG PHE A 45 -11.978 6.592 1.158 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.902 5.217 1.311 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.224 7.176 1.000 1.00 0.00 C ATOM 607 CE1 PHE A 45 -13.045 4.440 1.306 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.371 6.405 0.995 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.281 5.035 1.147 1.00 0.00 C ATOM 0 H PHE A 45 -8.790 5.871 1.141 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.477 6.968 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.156 7.207 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.015 8.484 1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.938 4.747 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.300 8.247 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.972 3.369 1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.337 6.873 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.176 4.430 1.142 1.00 0.00 H new ATOM 619 N TRP A 46 -9.360 9.065 -1.562 1.00 0.00 N ATOM 620 CA TRP A 46 -8.704 10.296 -1.991 1.00 0.00 C ATOM 621 C TRP A 46 -9.731 11.366 -2.342 1.00 0.00 C ATOM 622 O TRP A 46 -10.667 11.117 -3.100 1.00 0.00 O ATOM 623 CB TRP A 46 -7.801 10.023 -3.195 1.00 0.00 C ATOM 624 CG TRP A 46 -8.548 9.948 -4.492 1.00 0.00 C ATOM 625 CD1 TRP A 46 -9.079 8.829 -5.068 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.844 11.035 -5.375 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.688 9.156 -6.256 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.559 10.503 -6.466 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.578 12.407 -5.349 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -10.007 11.296 -7.520 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -9.024 13.192 -6.395 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.732 12.635 -7.468 1.00 0.00 C ATOM 0 H TRP A 46 -10.027 8.686 -2.234 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.095 10.662 -1.164 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.049 10.809 -3.262 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.269 9.085 -3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -9.028 7.834 -4.651 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.160 8.501 -6.880 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.034 12.846 -4.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.552 10.869 -8.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.823 14.253 -6.385 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.067 13.276 -8.270 1.00 0.00 H new ATOM 643 N ALA A 47 -9.549 12.559 -1.785 1.00 0.00 N ATOM 644 CA ALA A 47 -10.459 13.669 -2.041 1.00 0.00 C ATOM 645 C ALA A 47 -9.720 14.858 -2.645 1.00 0.00 C ATOM 646 O ALA A 47 -8.604 15.192 -2.247 1.00 0.00 O ATOM 647 CB ALA A 47 -11.165 14.080 -0.758 1.00 0.00 C ATOM 0 H ALA A 47 -8.780 12.782 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.205 13.335 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.841 14.910 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.735 13.236 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.426 14.390 -0.019 1.00 0.00 H new ATOM 653 N PRO A 48 -10.353 15.512 -3.629 1.00 0.00 N ATOM 654 CA PRO A 48 -9.773 16.674 -4.309 1.00 0.00 C ATOM 655 C PRO A 48 -9.705 17.900 -3.404 1.00 0.00 C ATOM 656 O PRO A 48 -9.242 18.963 -3.818 1.00 0.00 O ATOM 657 CB PRO A 48 -10.735 16.921 -5.473 1.00 0.00 C ATOM 658 CG PRO A 48 -12.033 16.348 -5.020 1.00 0.00 C ATOM 659 CD PRO A 48 -11.685 15.169 -4.154 1.00 0.00 C ATOM 0 HA PRO A 48 -8.744 16.493 -4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.827 17.985 -5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.385 16.437 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.611 17.085 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.642 16.041 -5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.410 15.032 -3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.665 14.242 -4.727 1.00 0.00 H new ATOM 667 N TRP A 49 -10.168 17.745 -2.169 1.00 0.00 N ATOM 668 CA TRP A 49 -10.158 18.840 -1.207 1.00 0.00 C ATOM 669 C TRP A 49 -9.276 18.505 -0.009 1.00 0.00 C ATOM 670 O TRP A 49 -9.220 19.258 0.962 1.00 0.00 O ATOM 671 CB TRP A 49 -11.582 19.146 -0.737 1.00 0.00 C ATOM 672 CG TRP A 49 -12.346 17.925 -0.325 1.00 0.00 C ATOM 673 CD1 TRP A 49 -13.250 17.231 -1.078 1.00 0.00 C ATOM 674 CD2 TRP A 49 -12.275 17.255 0.939 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.745 16.170 -0.358 1.00 0.00 N ATOM 676 CE2 TRP A 49 -13.162 16.162 0.881 1.00 0.00 C ATOM 677 CE3 TRP A 49 -11.547 17.471 2.112 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -13.340 15.291 1.953 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.725 16.605 3.174 1.00 0.00 C ATOM 680 CH2 TRP A 49 -12.614 15.526 3.089 1.00 0.00 C ATOM 0 H TRP A 49 -10.555 16.872 -1.811 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.748 19.721 -1.701 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.539 19.839 0.103 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.121 19.650 -1.539 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.534 17.479 -2.090 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.435 15.497 -0.692 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.858 18.299 2.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.027 14.460 1.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -11.169 16.763 4.086 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.729 14.867 3.937 1.00 0.00 H new ATOM 691 N ALA A 50 -8.588 17.370 -0.086 1.00 0.00 N ATOM 692 CA ALA A 50 -7.707 16.938 0.992 1.00 0.00 C ATOM 693 C ALA A 50 -6.260 16.854 0.517 1.00 0.00 C ATOM 694 O ALA A 50 -5.904 16.028 -0.323 1.00 0.00 O ATOM 695 CB ALA A 50 -8.163 15.593 1.539 1.00 0.00 C ATOM 0 H ALA A 50 -8.624 16.734 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.759 17.679 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.496 15.282 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.179 15.682 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.141 14.850 0.742 1.00 0.00 H new ATOM 701 N PRO A 51 -5.405 17.730 1.066 1.00 0.00 N ATOM 702 CA PRO A 51 -3.983 17.775 0.713 1.00 0.00 C ATOM 703 C PRO A 51 -3.219 16.559 1.226 1.00 0.00 C ATOM 704 O PRO A 51 -2.041 16.381 0.921 1.00 0.00 O ATOM 705 CB PRO A 51 -3.486 19.048 1.403 1.00 0.00 C ATOM 706 CG PRO A 51 -4.426 19.253 2.542 1.00 0.00 C ATOM 707 CD PRO A 51 -5.761 18.743 2.074 1.00 0.00 C ATOM 0 HA PRO A 51 -3.831 17.771 -0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.460 18.934 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.498 19.898 0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.090 18.713 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.485 20.307 2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.335 18.310 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.368 19.540 1.645 1.00 0.00 H new ATOM 715 N GLN A 52 -3.899 15.725 2.006 1.00 0.00 N ATOM 716 CA GLN A 52 -3.284 14.525 2.561 1.00 0.00 C ATOM 717 C GLN A 52 -3.083 13.467 1.481 1.00 0.00 C ATOM 718 O GLN A 52 -2.025 12.842 1.399 1.00 0.00 O ATOM 719 CB GLN A 52 -4.145 13.960 3.692 1.00 0.00 C ATOM 720 CG GLN A 52 -3.802 14.527 5.060 1.00 0.00 C ATOM 721 CD GLN A 52 -4.002 16.028 5.136 1.00 0.00 C ATOM 722 OE1 GLN A 52 -5.132 16.514 5.181 1.00 0.00 O ATOM 723 NE2 GLN A 52 -2.902 16.772 5.152 1.00 0.00 N ATOM 0 H GLN A 52 -4.876 15.858 2.268 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.308 14.800 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.194 14.164 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.030 12.876 3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.421 14.043 5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.765 14.290 5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.985 16.327 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.974 17.788 5.203 1.00 0.00 H new ATOM 732 N CYS A 53 -4.105 13.271 0.656 1.00 0.00 N ATOM 733 CA CYS A 53 -4.042 12.287 -0.419 1.00 0.00 C ATOM 734 C CYS A 53 -2.657 12.268 -1.059 1.00 0.00 C ATOM 735 O CYS A 53 -2.215 11.243 -1.575 1.00 0.00 O ATOM 736 CB CYS A 53 -5.102 12.589 -1.479 1.00 0.00 C ATOM 737 SG CYS A 53 -4.944 14.223 -2.237 1.00 0.00 S ATOM 0 H CYS A 53 -4.987 13.780 0.711 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.238 11.304 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.045 11.831 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.089 12.505 -1.024 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.597 15.095 -1.528 1.00 0.00 H new ATOM 743 N ALA A 54 -1.979 13.410 -1.021 1.00 0.00 N ATOM 744 CA ALA A 54 -0.644 13.526 -1.596 1.00 0.00 C ATOM 745 C ALA A 54 0.349 12.630 -0.864 1.00 0.00 C ATOM 746 O ALA A 54 0.895 11.691 -1.442 1.00 0.00 O ATOM 747 CB ALA A 54 -0.177 14.973 -1.561 1.00 0.00 C ATOM 0 H ALA A 54 -2.332 14.268 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.694 13.197 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.821 15.044 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.866 15.592 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.151 15.322 -0.529 1.00 0.00 H new ATOM 753 N GLN A 55 0.577 12.926 0.412 1.00 0.00 N ATOM 754 CA GLN A 55 1.506 12.148 1.222 1.00 0.00 C ATOM 755 C GLN A 55 1.269 10.652 1.037 1.00 0.00 C ATOM 756 O GLN A 55 2.194 9.900 0.734 1.00 0.00 O ATOM 757 CB GLN A 55 1.363 12.519 2.699 1.00 0.00 C ATOM 758 CG GLN A 55 2.203 13.719 3.108 1.00 0.00 C ATOM 759 CD GLN A 55 3.643 13.350 3.402 1.00 0.00 C ATOM 760 OE1 GLN A 55 4.035 13.203 4.560 1.00 0.00 O ATOM 761 NE2 GLN A 55 4.442 13.198 2.352 1.00 0.00 N ATOM 0 H GLN A 55 0.131 13.699 0.906 1.00 0.00 H new ATOM 0 HA GLN A 55 2.518 12.381 0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.315 12.730 2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.647 11.662 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.178 14.463 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.763 14.182 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.076 13.329 1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.422 12.950 2.488 1.00 0.00 H new ATOM 770 N MET A 56 0.022 10.229 1.221 1.00 0.00 N ATOM 771 CA MET A 56 -0.336 8.823 1.073 1.00 0.00 C ATOM 772 C MET A 56 -0.118 8.354 -0.362 1.00 0.00 C ATOM 773 O MET A 56 0.458 7.293 -0.597 1.00 0.00 O ATOM 774 CB MET A 56 -1.795 8.602 1.478 1.00 0.00 C ATOM 775 CG MET A 56 -2.122 9.109 2.873 1.00 0.00 C ATOM 776 SD MET A 56 -1.370 8.108 4.170 1.00 0.00 S ATOM 777 CE MET A 56 0.322 8.691 4.109 1.00 0.00 C ATOM 0 H MET A 56 -0.756 10.839 1.472 1.00 0.00 H new ATOM 0 HA MET A 56 0.309 8.238 1.729 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.443 9.101 0.758 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.021 7.537 1.425 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.780 10.139 2.970 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.204 9.118 3.008 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.724 8.748 5.121 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.924 8.001 3.518 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.350 9.680 3.651 1.00 0.00 H new ATOM 787 N ASN A 57 -0.581 9.153 -1.318 1.00 0.00 N ATOM 788 CA ASN A 57 -0.437 8.819 -2.730 1.00 0.00 C ATOM 789 C ASN A 57 0.965 8.294 -3.024 1.00 0.00 C ATOM 790 O ASN A 57 1.132 7.160 -3.473 1.00 0.00 O ATOM 791 CB ASN A 57 -0.727 10.045 -3.598 1.00 0.00 C ATOM 792 CG ASN A 57 -0.347 9.828 -5.050 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.138 9.311 -5.840 1.00 0.00 O ATOM 794 ND2 ASN A 57 0.869 10.223 -5.409 1.00 0.00 N ATOM 0 H ASN A 57 -1.059 10.036 -1.140 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.157 8.036 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.788 10.289 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.179 10.902 -3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.180 10.103 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.491 10.647 -4.721 1.00 0.00 H new ATOM 801 N GLU A 58 1.969 9.127 -2.767 1.00 0.00 N ATOM 802 CA GLU A 58 3.357 8.746 -3.005 1.00 0.00 C ATOM 803 C GLU A 58 3.699 7.452 -2.272 1.00 0.00 C ATOM 804 O GLU A 58 4.204 6.502 -2.870 1.00 0.00 O ATOM 805 CB GLU A 58 4.300 9.864 -2.555 1.00 0.00 C ATOM 806 CG GLU A 58 3.974 11.217 -3.165 1.00 0.00 C ATOM 807 CD GLU A 58 4.287 11.279 -4.647 1.00 0.00 C ATOM 808 OE1 GLU A 58 3.760 10.435 -5.401 1.00 0.00 O ATOM 809 OE2 GLU A 58 5.058 12.174 -5.053 1.00 0.00 O ATOM 0 H GLU A 58 1.848 10.069 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 58 3.484 8.582 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.261 9.946 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.323 9.593 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.917 11.436 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.539 11.991 -2.645 1.00 0.00 H new ATOM 816 N VAL A 59 3.420 7.423 -0.973 1.00 0.00 N ATOM 817 CA VAL A 59 3.697 6.246 -0.158 1.00 0.00 C ATOM 818 C VAL A 59 3.146 4.983 -0.811 1.00 0.00 C ATOM 819 O VAL A 59 3.820 3.955 -0.862 1.00 0.00 O ATOM 820 CB VAL A 59 3.095 6.386 1.253 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.417 5.161 2.095 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.602 7.653 1.925 1.00 0.00 C ATOM 0 H VAL A 59 3.002 8.201 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 59 4.781 6.166 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 59 2.011 6.459 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.984 5.278 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.000 4.273 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.498 5.053 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.167 7.736 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.688 7.612 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.315 8.520 1.330 1.00 0.00 H new ATOM 832 N MET A 60 1.917 5.069 -1.309 1.00 0.00 N ATOM 833 CA MET A 60 1.276 3.933 -1.960 1.00 0.00 C ATOM 834 C MET A 60 2.096 3.458 -3.156 1.00 0.00 C ATOM 835 O MET A 60 2.553 2.316 -3.192 1.00 0.00 O ATOM 836 CB MET A 60 -0.136 4.307 -2.413 1.00 0.00 C ATOM 837 CG MET A 60 -1.126 4.442 -1.267 1.00 0.00 C ATOM 838 SD MET A 60 -2.617 5.339 -1.739 1.00 0.00 S ATOM 839 CE MET A 60 -3.439 4.117 -2.757 1.00 0.00 C ATOM 0 H MET A 60 1.345 5.913 -1.274 1.00 0.00 H new ATOM 0 HA MET A 60 1.215 3.120 -1.237 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.096 5.249 -2.960 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.498 3.550 -3.108 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.401 3.449 -0.911 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.645 4.957 -0.435 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.241 4.593 -3.321 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.721 3.677 -3.448 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.857 3.336 -2.122 1.00 0.00 H new ATOM 849 N ALA A 61 2.279 4.342 -4.131 1.00 0.00 N ATOM 850 CA ALA A 61 3.045 4.013 -5.327 1.00 0.00 C ATOM 851 C ALA A 61 4.273 3.178 -4.979 1.00 0.00 C ATOM 852 O ALA A 61 4.473 2.094 -5.526 1.00 0.00 O ATOM 853 CB ALA A 61 3.457 5.283 -6.056 1.00 0.00 C ATOM 0 H ALA A 61 1.907 5.292 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 61 2.409 3.420 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.028 5.022 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.567 5.841 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.072 5.897 -5.398 1.00 0.00 H new ATOM 859 N GLU A 62 5.093 3.691 -4.067 1.00 0.00 N ATOM 860 CA GLU A 62 6.302 2.992 -3.648 1.00 0.00 C ATOM 861 C GLU A 62 5.977 1.580 -3.169 1.00 0.00 C ATOM 862 O GLU A 62 6.761 0.651 -3.362 1.00 0.00 O ATOM 863 CB GLU A 62 7.008 3.770 -2.536 1.00 0.00 C ATOM 864 CG GLU A 62 7.860 4.921 -3.044 1.00 0.00 C ATOM 865 CD GLU A 62 9.009 5.253 -2.112 1.00 0.00 C ATOM 866 OE1 GLU A 62 8.742 5.710 -0.981 1.00 0.00 O ATOM 867 OE2 GLU A 62 10.175 5.056 -2.513 1.00 0.00 O ATOM 0 H GLU A 62 4.942 4.588 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 62 6.966 2.920 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.260 4.160 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.639 3.085 -1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.256 4.668 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.233 5.804 -3.170 1.00 0.00 H new ATOM 874 N LEU A 63 4.815 1.428 -2.543 1.00 0.00 N ATOM 875 CA LEU A 63 4.384 0.130 -2.035 1.00 0.00 C ATOM 876 C LEU A 63 3.929 -0.777 -3.173 1.00 0.00 C ATOM 877 O LEU A 63 4.347 -1.931 -3.266 1.00 0.00 O ATOM 878 CB LEU A 63 3.250 0.307 -1.023 1.00 0.00 C ATOM 879 CG LEU A 63 3.642 0.910 0.326 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.405 1.201 1.160 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.584 -0.023 1.073 1.00 0.00 C ATOM 0 H LEU A 63 4.155 2.187 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 63 5.234 -0.339 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.484 0.940 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.794 -0.667 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 63 4.162 1.851 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.704 1.630 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.766 1.907 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.857 0.275 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.853 0.422 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.090 -0.979 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.485 -0.181 0.481 1.00 0.00 H new ATOM 893 N ALA A 64 3.072 -0.246 -4.039 1.00 0.00 N ATOM 894 CA ALA A 64 2.563 -1.006 -5.174 1.00 0.00 C ATOM 895 C ALA A 64 3.655 -1.877 -5.785 1.00 0.00 C ATOM 896 O ALA A 64 3.488 -3.088 -5.933 1.00 0.00 O ATOM 897 CB ALA A 64 1.986 -0.066 -6.222 1.00 0.00 C ATOM 0 H ALA A 64 2.716 0.708 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 64 1.770 -1.662 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.610 -0.647 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.170 0.510 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.764 0.614 -6.569 1.00 0.00 H new ATOM 903 N LYS A 65 4.773 -1.253 -6.141 1.00 0.00 N ATOM 904 CA LYS A 65 5.894 -1.970 -6.737 1.00 0.00 C ATOM 905 C LYS A 65 6.525 -2.925 -5.729 1.00 0.00 C ATOM 906 O LYS A 65 6.670 -4.117 -5.997 1.00 0.00 O ATOM 907 CB LYS A 65 6.945 -0.982 -7.247 1.00 0.00 C ATOM 908 CG LYS A 65 7.482 -0.055 -6.170 1.00 0.00 C ATOM 909 CD LYS A 65 8.241 1.117 -6.771 1.00 0.00 C ATOM 910 CE LYS A 65 7.314 2.284 -7.075 1.00 0.00 C ATOM 911 NZ LYS A 65 6.757 2.206 -8.453 1.00 0.00 N ATOM 0 H LYS A 65 4.927 -0.251 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 65 5.516 -2.553 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.775 -1.539 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.510 -0.383 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.656 0.317 -5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.140 -0.613 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.020 1.440 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.739 0.798 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.497 2.296 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.859 3.221 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.562 3.166 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.445 1.741 -9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.874 1.656 -8.440 1.00 0.00 H new ATOM 925 N GLU A 66 6.898 -2.393 -4.569 1.00 0.00 N ATOM 926 CA GLU A 66 7.513 -3.200 -3.522 1.00 0.00 C ATOM 927 C GLU A 66 6.785 -4.532 -3.363 1.00 0.00 C ATOM 928 O GLU A 66 7.409 -5.594 -3.333 1.00 0.00 O ATOM 929 CB GLU A 66 7.507 -2.442 -2.193 1.00 0.00 C ATOM 930 CG GLU A 66 7.959 -3.282 -1.010 1.00 0.00 C ATOM 931 CD GLU A 66 9.227 -4.062 -1.299 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.001 -3.629 -2.178 1.00 0.00 O ATOM 933 OE2 GLU A 66 9.445 -5.105 -0.647 1.00 0.00 O ATOM 0 H GLU A 66 6.785 -1.408 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 66 8.544 -3.401 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.157 -1.571 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.500 -2.071 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.124 -2.633 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.164 -3.976 -0.737 1.00 0.00 H new ATOM 940 N LEU A 67 5.462 -4.469 -3.262 1.00 0.00 N ATOM 941 CA LEU A 67 4.648 -5.669 -3.105 1.00 0.00 C ATOM 942 C LEU A 67 3.817 -5.930 -4.358 1.00 0.00 C ATOM 943 O LEU A 67 2.706 -5.422 -4.512 1.00 0.00 O ATOM 944 CB LEU A 67 3.730 -5.532 -1.890 1.00 0.00 C ATOM 945 CG LEU A 67 4.403 -5.099 -0.586 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.361 -4.667 0.434 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.261 -6.225 -0.030 1.00 0.00 C ATOM 0 H LEU A 67 4.930 -3.599 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 67 5.318 -6.515 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.949 -4.811 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.238 -6.490 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 67 5.049 -4.247 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.858 -4.362 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.788 -3.829 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.689 -5.499 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.732 -5.900 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.636 -7.096 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.031 -6.488 -0.755 1.00 0.00 H new ATOM 959 N PRO A 68 4.365 -6.743 -5.273 1.00 0.00 N ATOM 960 CA PRO A 68 3.690 -7.092 -6.526 1.00 0.00 C ATOM 961 C PRO A 68 2.483 -7.997 -6.302 1.00 0.00 C ATOM 962 O PRO A 68 1.643 -8.156 -7.188 1.00 0.00 O ATOM 963 CB PRO A 68 4.772 -7.831 -7.318 1.00 0.00 C ATOM 964 CG PRO A 68 5.692 -8.379 -6.282 1.00 0.00 C ATOM 965 CD PRO A 68 5.685 -7.384 -5.154 1.00 0.00 C ATOM 0 HA PRO A 68 3.295 -6.212 -7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.343 -8.627 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.296 -7.157 -7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.356 -9.358 -5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.698 -8.508 -6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.809 -7.872 -4.187 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.494 -6.660 -5.252 1.00 0.00 H new ATOM 973 N GLN A 69 2.403 -8.586 -5.114 1.00 0.00 N ATOM 974 CA GLN A 69 1.298 -9.475 -4.775 1.00 0.00 C ATOM 975 C GLN A 69 0.181 -8.711 -4.073 1.00 0.00 C ATOM 976 O GLN A 69 -0.673 -9.304 -3.414 1.00 0.00 O ATOM 977 CB GLN A 69 1.790 -10.616 -3.883 1.00 0.00 C ATOM 978 CG GLN A 69 2.124 -10.181 -2.465 1.00 0.00 C ATOM 979 CD GLN A 69 3.579 -9.786 -2.304 1.00 0.00 C ATOM 980 OE1 GLN A 69 4.137 -9.072 -3.138 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.203 -10.250 -1.228 1.00 0.00 N ATOM 0 H GLN A 69 3.090 -8.464 -4.370 1.00 0.00 H new ATOM 0 HA GLN A 69 0.902 -9.892 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.025 -11.392 -3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.676 -11.063 -4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.490 -9.339 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.893 -10.993 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.702 -10.839 -0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.183 -10.018 -1.067 1.00 0.00 H new ATOM 990 N VAL A 70 0.192 -7.389 -4.218 1.00 0.00 N ATOM 991 CA VAL A 70 -0.822 -6.543 -3.599 1.00 0.00 C ATOM 992 C VAL A 70 -1.507 -5.659 -4.635 1.00 0.00 C ATOM 993 O VAL A 70 -0.943 -5.370 -5.690 1.00 0.00 O ATOM 994 CB VAL A 70 -0.213 -5.651 -2.501 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.269 -4.721 -1.923 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.413 -6.505 -1.408 1.00 0.00 C ATOM 0 H VAL A 70 0.892 -6.881 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.559 -7.208 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 70 0.571 -5.039 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.821 -4.098 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.667 -4.086 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.077 -5.312 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.839 -5.859 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.350 -7.143 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.200 -7.126 -1.837 1.00 0.00 H new ATOM 1006 N SER A 71 -2.728 -5.233 -4.326 1.00 0.00 N ATOM 1007 CA SER A 71 -3.493 -4.384 -5.232 1.00 0.00 C ATOM 1008 C SER A 71 -3.894 -3.081 -4.546 1.00 0.00 C ATOM 1009 O SER A 71 -4.623 -3.088 -3.553 1.00 0.00 O ATOM 1010 CB SER A 71 -4.740 -5.120 -5.724 1.00 0.00 C ATOM 1011 OG SER A 71 -5.176 -4.608 -6.971 1.00 0.00 O ATOM 0 H SER A 71 -3.208 -5.462 -3.456 1.00 0.00 H new ATOM 0 HA SER A 71 -2.861 -4.145 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.524 -6.184 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.538 -5.022 -4.988 1.00 0.00 H new ATOM 0 HG SER A 71 -6.155 -4.561 -6.981 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.414 -1.965 -5.082 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.721 -0.654 -4.523 1.00 0.00 C ATOM 1019 C PHE A 72 -4.715 0.095 -5.406 1.00 0.00 C ATOM 1020 O PHE A 72 -4.404 0.456 -6.541 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.441 0.169 -4.364 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.500 -0.379 -3.330 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -1.613 -0.003 -2.001 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -0.501 -1.271 -3.687 1.00 0.00 C ATOM 1025 CE1 PHE A 72 -0.749 -0.507 -1.047 1.00 0.00 C ATOM 1026 CE2 PHE A 72 0.366 -1.778 -2.738 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.243 -1.394 -1.416 1.00 0.00 C ATOM 0 H PHE A 72 -2.810 -1.942 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.173 -0.802 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.927 0.215 -5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.707 1.191 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.385 0.692 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.399 -1.573 -4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.850 -0.207 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.139 -2.474 -3.029 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.921 -1.787 -0.673 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.912 0.326 -4.876 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.952 1.032 -5.614 1.00 0.00 C ATOM 1039 C VAL A 73 -7.430 2.261 -4.850 1.00 0.00 C ATOM 1040 O VAL A 73 -7.743 2.185 -3.662 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.158 0.117 -5.899 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.788 -0.954 -6.914 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.666 -0.511 -4.610 1.00 0.00 C ATOM 0 H VAL A 73 -6.185 0.034 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.511 1.345 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.960 0.723 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.652 -1.591 -7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.476 -0.481 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.970 -1.559 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.518 -1.154 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.872 -1.103 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.973 0.274 -3.919 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.484 3.396 -5.540 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.926 4.643 -4.929 1.00 0.00 C ATOM 1055 C LYS A 74 -9.293 5.058 -5.464 1.00 0.00 C ATOM 1056 O LYS A 74 -9.533 5.027 -6.671 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.906 5.754 -5.192 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.609 5.970 -6.666 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.536 7.026 -6.870 1.00 0.00 C ATOM 1060 CE LYS A 74 -6.139 8.417 -6.994 1.00 0.00 C ATOM 1061 NZ LYS A 74 -5.165 9.479 -6.616 1.00 0.00 N ATOM 0 H LYS A 74 -7.227 3.477 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.010 4.481 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.277 6.685 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.977 5.513 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.286 5.030 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.521 6.272 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.839 7.004 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.963 6.795 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.473 8.578 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.020 8.489 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.614 10.412 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.866 9.340 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.335 9.427 -7.240 1.00 0.00 H new ATOM 1075 N LEU A 75 -10.184 5.446 -4.558 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.528 5.868 -4.940 1.00 0.00 C ATOM 1077 C LEU A 75 -11.816 7.281 -4.443 1.00 0.00 C ATOM 1078 O LEU A 75 -11.359 7.677 -3.371 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.567 4.896 -4.379 1.00 0.00 C ATOM 1080 CG LEU A 75 -14.026 5.342 -4.479 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.953 4.137 -4.502 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.381 6.268 -3.325 1.00 0.00 C ATOM 0 H LEU A 75 -10.001 5.477 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.588 5.866 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.463 3.944 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.335 4.713 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.154 5.891 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.987 4.475 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.715 3.511 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.822 3.560 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.423 6.575 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.235 5.744 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.739 7.149 -3.354 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.579 8.035 -5.228 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.929 9.403 -4.866 1.00 0.00 C ATOM 1096 C GLU A 76 -14.206 9.436 -4.032 1.00 0.00 C ATOM 1097 O GLU A 76 -15.300 9.194 -4.542 1.00 0.00 O ATOM 1098 CB GLU A 76 -13.106 10.257 -6.123 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.755 11.722 -5.918 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.792 12.460 -5.095 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -13.753 12.349 -3.852 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -14.643 13.151 -5.694 1.00 0.00 O ATOM 0 H GLU A 76 -12.966 7.722 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.115 9.813 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.482 9.851 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.140 10.183 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.786 11.794 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.655 12.207 -6.889 1.00 0.00 H new ATOM 1109 N ALA A 77 -14.058 9.735 -2.745 1.00 0.00 N ATOM 1110 CA ALA A 77 -15.199 9.801 -1.840 1.00 0.00 C ATOM 1111 C ALA A 77 -16.360 10.558 -2.475 1.00 0.00 C ATOM 1112 O ALA A 77 -17.470 10.037 -2.577 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.794 10.454 -0.527 1.00 0.00 C ATOM 0 H ALA A 77 -13.159 9.935 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.531 8.783 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.656 10.497 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.002 9.869 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.434 11.465 -0.719 1.00 0.00 H new ATOM 1119 N GLU A 78 -16.096 11.790 -2.898 1.00 0.00 N ATOM 1120 CA GLU A 78 -17.122 12.619 -3.521 1.00 0.00 C ATOM 1121 C GLU A 78 -17.550 12.036 -4.865 1.00 0.00 C ATOM 1122 O GLU A 78 -18.677 12.244 -5.312 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.607 14.047 -3.713 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.884 14.959 -2.529 1.00 0.00 C ATOM 1125 CD GLU A 78 -16.444 16.388 -2.778 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -16.317 16.772 -3.960 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -16.228 17.123 -1.792 1.00 0.00 O ATOM 0 H GLU A 78 -15.182 12.236 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.989 12.638 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.532 14.015 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.067 14.473 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.951 14.945 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.369 14.572 -1.649 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.641 11.306 -5.503 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.943 10.705 -6.789 1.00 0.00 C ATOM 1136 C GLY A 79 -17.927 9.557 -6.676 1.00 0.00 C ATOM 1137 O GLY A 79 -18.829 9.419 -7.503 1.00 0.00 O ATOM 0 H GLY A 79 -15.701 11.120 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.351 11.465 -7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.020 10.345 -7.244 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.753 8.729 -5.651 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.632 7.587 -5.433 1.00 0.00 C ATOM 1143 C VAL A 80 -19.127 7.541 -3.991 1.00 0.00 C ATOM 1144 O VAL A 80 -18.582 6.834 -3.144 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.922 6.261 -5.762 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.894 5.095 -5.665 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -17.290 6.324 -7.144 1.00 0.00 C ATOM 0 H VAL A 80 -17.011 8.828 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.483 7.711 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.129 6.103 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -18.374 4.167 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -19.295 5.039 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.711 5.243 -6.371 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.793 5.379 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -18.064 6.506 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.560 7.133 -7.174 1.00 0.00 H new ATOM 1157 N PRO A 81 -20.186 8.313 -3.705 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.779 8.378 -2.366 1.00 0.00 C ATOM 1159 C PRO A 81 -21.494 7.086 -1.985 1.00 0.00 C ATOM 1160 O PRO A 81 -21.793 6.854 -0.814 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.780 9.530 -2.476 1.00 0.00 C ATOM 1162 CG PRO A 81 -22.128 9.592 -3.924 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.886 9.181 -4.666 1.00 0.00 C ATOM 0 HA PRO A 81 -20.024 8.524 -1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.663 9.347 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.343 10.468 -2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.959 8.925 -4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.438 10.598 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -21.126 8.650 -5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.280 10.043 -4.944 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.764 6.248 -2.982 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.444 4.980 -2.750 1.00 0.00 C ATOM 1173 C GLU A 82 -21.640 4.097 -1.799 1.00 0.00 C ATOM 1174 O GLU A 82 -22.169 3.585 -0.812 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.671 4.247 -4.074 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.740 3.170 -3.998 1.00 0.00 C ATOM 1177 CD GLU A 82 -25.082 3.710 -3.545 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.746 4.400 -4.347 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.468 3.443 -2.387 1.00 0.00 O ATOM 0 H GLU A 82 -21.522 6.425 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.409 5.194 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.952 4.972 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.733 3.794 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.852 2.705 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.416 2.390 -3.310 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.358 3.923 -2.104 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.480 3.104 -1.278 1.00 0.00 C ATOM 1188 C VAL A 83 -19.212 3.769 0.067 1.00 0.00 C ATOM 1189 O VAL A 83 -19.272 3.124 1.114 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.136 2.835 -1.982 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.194 2.073 -1.062 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.359 2.073 -3.280 1.00 0.00 C ATOM 0 H VAL A 83 -19.905 4.339 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.993 2.156 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.674 3.792 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.250 1.892 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.010 2.660 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.646 1.120 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.400 1.891 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.843 1.120 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.994 2.661 -3.942 1.00 0.00 H new ATOM 1202 N SER A 84 -18.915 5.064 0.032 1.00 0.00 N ATOM 1203 CA SER A 84 -18.634 5.818 1.248 1.00 0.00 C ATOM 1204 C SER A 84 -19.790 5.703 2.238 1.00 0.00 C ATOM 1205 O SER A 84 -19.578 5.557 3.441 1.00 0.00 O ATOM 1206 CB SER A 84 -18.378 7.289 0.915 1.00 0.00 C ATOM 1207 OG SER A 84 -17.420 7.417 -0.121 1.00 0.00 O ATOM 0 H SER A 84 -18.863 5.613 -0.826 1.00 0.00 H new ATOM 0 HA SER A 84 -17.740 5.397 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.311 7.765 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.028 7.811 1.805 1.00 0.00 H new ATOM 0 HG SER A 84 -17.275 8.366 -0.317 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.013 5.769 1.720 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.202 5.673 2.558 1.00 0.00 C ATOM 1215 C GLU A 85 -22.244 4.336 3.292 1.00 0.00 C ATOM 1216 O GLU A 85 -22.269 4.290 4.522 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.465 5.842 1.710 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.737 5.972 2.532 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.788 7.262 3.327 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.275 8.275 2.782 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -24.342 7.259 4.493 1.00 0.00 O ATOM 0 H GLU A 85 -21.206 5.888 0.725 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.160 6.472 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.356 6.727 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.560 4.987 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -25.600 5.924 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.812 5.126 3.215 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.253 3.249 2.529 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.291 1.910 3.104 1.00 0.00 C ATOM 1230 C LYS A 86 -21.321 1.793 4.275 1.00 0.00 C ATOM 1231 O LYS A 86 -21.723 1.488 5.399 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.950 0.865 2.039 1.00 0.00 C ATOM 1233 CG LYS A 86 -22.216 -0.564 2.482 1.00 0.00 C ATOM 1234 CD LYS A 86 -21.002 -1.170 3.166 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.142 -2.678 3.315 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.265 -3.212 4.393 1.00 0.00 N ATOM 0 H LYS A 86 -22.234 3.269 1.509 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.301 1.728 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.531 1.072 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.899 0.963 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -23.066 -0.582 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.488 -1.169 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.106 -0.942 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.872 -0.717 4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.180 -2.926 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.892 -3.161 2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.389 -4.242 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.272 -2.997 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.520 -2.770 5.299 1.00 0.00 H new ATOM 1250 N TYR A 87 -20.043 2.037 4.006 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.016 1.958 5.037 1.00 0.00 C ATOM 1252 C TYR A 87 -19.055 3.187 5.940 1.00 0.00 C ATOM 1253 O TYR A 87 -18.461 3.198 7.018 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.632 1.823 4.399 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.442 0.535 3.632 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -16.991 -0.615 4.267 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.713 0.467 2.271 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.815 -1.795 3.570 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.542 -0.708 1.566 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.092 -1.836 2.220 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.919 -3.009 1.521 1.00 0.00 O ATOM 0 H TYR A 87 -19.694 2.291 3.082 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.215 1.076 5.646 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.468 2.664 3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.874 1.887 5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.774 -0.586 5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -18.064 1.349 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.463 -2.680 4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.759 -0.744 0.509 1.00 0.00 H new ATOM 0 HH TYR A 87 -16.006 -3.338 1.656 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.759 4.221 5.491 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.876 5.456 6.257 1.00 0.00 C ATOM 1273 C GLU A 88 -18.519 6.140 6.397 1.00 0.00 C ATOM 1274 O GLU A 88 -18.208 6.719 7.439 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.460 5.170 7.642 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.829 4.514 7.601 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.429 4.327 8.982 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.653 5.342 9.674 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -22.673 3.166 9.370 1.00 0.00 O ATOM 0 H GLU A 88 -20.257 4.228 4.601 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.547 6.125 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.774 4.525 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.531 6.105 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.501 5.123 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.748 3.544 7.110 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.715 6.067 5.342 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.392 6.679 5.346 1.00 0.00 C ATOM 1288 C ILE A 89 -16.490 8.201 5.329 1.00 0.00 C ATOM 1289 O ILE A 89 -16.610 8.813 4.267 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.553 6.216 4.141 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.307 4.707 4.212 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.233 6.971 4.092 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.122 4.328 5.072 1.00 0.00 C ATOM 0 H ILE A 89 -17.957 5.590 4.473 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.900 6.359 6.264 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.107 6.433 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.200 4.219 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.151 4.325 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.652 6.632 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.428 8.039 3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.672 6.783 5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.007 3.244 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.219 4.787 4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.284 4.680 6.091 1.00 0.00 H new ATOM 1305 N SER A 90 -16.436 8.806 6.511 1.00 0.00 N ATOM 1306 CA SER A 90 -16.520 10.257 6.632 1.00 0.00 C ATOM 1307 C SER A 90 -15.210 10.835 7.158 1.00 0.00 C ATOM 1308 O SER A 90 -15.209 11.713 8.021 1.00 0.00 O ATOM 1309 CB SER A 90 -17.672 10.646 7.561 1.00 0.00 C ATOM 1310 OG SER A 90 -18.923 10.505 6.909 1.00 0.00 O ATOM 0 H SER A 90 -16.334 8.314 7.399 1.00 0.00 H new ATOM 0 HA SER A 90 -16.707 10.670 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.651 10.020 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.545 11.677 7.891 1.00 0.00 H new ATOM 0 HG SER A 90 -19.643 10.758 7.524 1.00 0.00 H new ATOM 1316 N SER A 91 -14.097 10.336 6.631 1.00 0.00 N ATOM 1317 CA SER A 91 -12.779 10.800 7.049 1.00 0.00 C ATOM 1318 C SER A 91 -11.702 10.323 6.079 1.00 0.00 C ATOM 1319 O SER A 91 -11.565 9.126 5.825 1.00 0.00 O ATOM 1320 CB SER A 91 -12.465 10.303 8.462 1.00 0.00 C ATOM 1321 OG SER A 91 -12.650 8.902 8.563 1.00 0.00 O ATOM 0 H SER A 91 -14.081 9.611 5.914 1.00 0.00 H new ATOM 0 HA SER A 91 -12.787 11.890 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.437 10.557 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.108 10.811 9.181 1.00 0.00 H new ATOM 0 HG SER A 91 -12.298 8.467 7.758 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.939 11.268 5.540 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.873 10.947 4.599 1.00 0.00 C ATOM 1329 C VAL A 92 -8.548 11.558 5.039 1.00 0.00 C ATOM 1330 O VAL A 92 -8.505 12.566 5.744 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.209 11.442 3.180 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.221 10.520 2.517 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.728 12.872 3.224 1.00 0.00 C ATOM 0 H VAL A 92 -11.039 12.263 5.739 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.781 9.861 4.584 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.296 11.428 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.446 10.887 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.808 9.514 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.136 10.498 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.961 13.206 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.629 12.913 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.967 13.522 3.655 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.439 10.937 4.612 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.478 9.736 3.772 1.00 0.00 C ATOM 1345 C PRO A 93 -7.989 8.515 4.529 1.00 0.00 C ATOM 1346 O PRO A 93 -8.058 8.517 5.759 1.00 0.00 O ATOM 1347 CB PRO A 93 -6.015 9.540 3.366 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.230 10.195 4.450 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.061 11.357 4.918 1.00 0.00 C ATOM 0 HA PRO A 93 -8.158 9.851 2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.766 8.482 3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.809 9.995 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.037 9.500 5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.261 10.531 4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.925 11.545 5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.796 12.276 4.396 1.00 0.00 H new ATOM 1357 N THR A 94 -8.348 7.472 3.787 1.00 0.00 N ATOM 1358 CA THR A 94 -8.854 6.244 4.388 1.00 0.00 C ATOM 1359 C THR A 94 -8.156 5.020 3.807 1.00 0.00 C ATOM 1360 O THR A 94 -7.638 5.059 2.691 1.00 0.00 O ATOM 1361 CB THR A 94 -10.373 6.102 4.181 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.986 7.396 4.143 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.996 5.273 5.294 1.00 0.00 C ATOM 0 H THR A 94 -8.298 7.453 2.768 1.00 0.00 H new ATOM 0 HA THR A 94 -8.645 6.305 5.456 1.00 0.00 H new ATOM 0 HB THR A 94 -10.542 5.593 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.933 7.809 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.070 5.187 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.549 4.279 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.817 5.759 6.253 1.00 0.00 H new ATOM 1371 N PHE A 95 -8.148 3.932 4.570 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.514 2.694 4.130 1.00 0.00 C ATOM 1373 C PHE A 95 -8.339 1.481 4.550 1.00 0.00 C ATOM 1374 O PHE A 95 -8.424 1.153 5.734 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.100 2.588 4.706 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.161 3.639 4.188 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.653 3.559 2.901 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.786 4.707 4.987 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.788 4.525 2.422 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.922 5.676 4.513 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.423 5.585 3.228 1.00 0.00 C ATOM 0 H PHE A 95 -8.573 3.882 5.496 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.455 2.712 3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.152 2.663 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.694 1.603 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.936 2.733 2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -5.173 4.783 5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.398 4.451 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.637 6.503 5.146 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.749 6.342 2.855 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.946 0.819 3.571 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.765 -0.358 3.837 1.00 0.00 C ATOM 1393 C LEU A 96 -9.143 -1.606 3.219 1.00 0.00 C ATOM 1394 O LEU A 96 -9.209 -1.810 2.006 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.179 -0.154 3.289 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.043 0.870 4.026 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.318 1.151 3.247 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.370 0.381 5.429 1.00 0.00 C ATOM 0 H LEU A 96 -8.886 1.077 2.586 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.817 -0.497 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.102 0.149 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.695 -1.114 3.305 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.480 1.799 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.920 1.882 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.064 1.546 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.885 0.227 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.985 1.122 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.914 -0.562 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.446 0.232 5.987 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.541 -2.440 4.061 1.00 0.00 N ATOM 1411 CA PHE A 97 -7.908 -3.669 3.597 1.00 0.00 C ATOM 1412 C PHE A 97 -8.939 -4.780 3.424 1.00 0.00 C ATOM 1413 O PHE A 97 -9.512 -5.268 4.399 1.00 0.00 O ATOM 1414 CB PHE A 97 -6.824 -4.112 4.582 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.772 -3.068 4.826 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.000 -2.031 5.717 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.556 -3.123 4.164 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.034 -1.069 5.944 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.587 -2.163 4.388 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.826 -1.135 5.278 1.00 0.00 C ATOM 0 H PHE A 97 -8.478 -2.287 5.068 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.450 -3.469 2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.292 -4.373 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.347 -5.015 4.202 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.943 -1.974 6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.363 -3.924 3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.224 -0.267 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.643 -2.217 3.867 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.070 -0.384 5.453 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.171 -5.175 2.177 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.134 -6.227 1.874 1.00 0.00 C ATOM 1432 C PHE A 98 -9.424 -7.502 1.428 1.00 0.00 C ATOM 1433 O PHE A 98 -8.654 -7.494 0.468 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.104 -5.763 0.786 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.008 -4.646 1.226 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.171 -4.915 1.929 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.694 -3.328 0.935 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -14.005 -3.889 2.335 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.523 -2.299 1.339 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.681 -2.580 2.039 1.00 0.00 C ATOM 0 H PHE A 98 -8.705 -4.782 1.359 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.696 -6.443 2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.533 -5.437 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.713 -6.609 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.429 -5.937 2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.791 -3.103 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.909 -4.112 2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.266 -1.276 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.331 -1.777 2.354 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.690 -8.597 2.132 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.079 -9.881 1.811 1.00 0.00 C ATOM 1452 C LYS A 99 -10.109 -10.844 1.230 1.00 0.00 C ATOM 1453 O LYS A 99 -10.812 -11.534 1.968 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.440 -10.493 3.060 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.296 -11.444 2.754 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.093 -10.706 2.190 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.867 -11.603 2.128 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.942 -12.567 0.995 1.00 0.00 N ATOM 0 H LYS A 99 -10.325 -8.621 2.930 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.306 -9.709 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.073 -9.691 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.204 -11.027 3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.007 -11.971 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.629 -12.198 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.326 -10.338 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.877 -9.835 2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.973 -10.989 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.770 -12.151 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.088 -13.160 0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.782 -13.170 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.009 -12.044 0.098 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.193 -10.886 -0.096 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.137 -11.766 -0.775 1.00 0.00 C ATOM 1474 C ASN A 100 -12.561 -11.230 -0.656 1.00 0.00 C ATOM 1475 O ASN A 100 -13.507 -11.992 -0.455 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.062 -13.178 -0.191 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.447 -14.242 -1.200 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -12.607 -14.343 -1.600 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -10.473 -15.044 -1.615 1.00 0.00 N ATOM 0 H ASN A 100 -9.619 -10.321 -0.721 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.867 -11.802 -1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.049 -13.368 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.722 -13.246 0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.672 -15.780 -2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.526 -14.924 -1.256 1.00 0.00 H new ATOM 1486 N SER A 101 -12.705 -9.915 -0.783 1.00 0.00 N ATOM 1487 CA SER A 101 -14.013 -9.277 -0.688 1.00 0.00 C ATOM 1488 C SER A 101 -14.517 -9.284 0.752 1.00 0.00 C ATOM 1489 O SER A 101 -15.722 -9.292 0.998 1.00 0.00 O ATOM 1490 CB SER A 101 -15.018 -9.987 -1.595 1.00 0.00 C ATOM 1491 OG SER A 101 -16.119 -9.146 -1.894 1.00 0.00 O ATOM 0 H SER A 101 -11.933 -9.271 -0.952 1.00 0.00 H new ATOM 0 HA SER A 101 -13.909 -8.242 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.527 -10.291 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.372 -10.896 -1.109 1.00 0.00 H new ATOM 0 HG SER A 101 -16.503 -8.801 -1.061 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.584 -9.280 1.699 1.00 0.00 N ATOM 1498 CA GLN A 102 -13.933 -9.287 3.115 1.00 0.00 C ATOM 1499 C GLN A 102 -12.974 -8.412 3.916 1.00 0.00 C ATOM 1500 O GLN A 102 -11.798 -8.740 4.069 1.00 0.00 O ATOM 1501 CB GLN A 102 -13.913 -10.716 3.659 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.153 -11.520 3.303 1.00 0.00 C ATOM 1503 CD GLN A 102 -14.927 -13.016 3.400 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -14.757 -13.559 4.492 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -14.926 -13.690 2.257 1.00 0.00 N ATOM 0 H GLN A 102 -12.581 -9.272 1.511 1.00 0.00 H new ATOM 0 HA GLN A 102 -14.939 -8.880 3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.033 -11.231 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -13.812 -10.682 4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.969 -11.236 3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.466 -11.269 2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.071 -13.199 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.780 -14.700 2.260 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.485 -7.296 4.425 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.676 -6.373 5.211 1.00 0.00 C ATOM 1516 C LYS A 103 -12.099 -7.067 6.441 1.00 0.00 C ATOM 1517 O LYS A 103 -12.829 -7.686 7.215 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.513 -5.165 5.639 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.702 -4.069 6.309 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.595 -2.961 6.841 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.027 -3.233 8.274 1.00 0.00 C ATOM 1522 NZ LYS A 103 -13.032 -2.726 9.259 1.00 0.00 N ATOM 0 H LYS A 103 -14.457 -7.009 4.307 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.850 -6.032 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.013 -4.751 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.293 -5.498 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.121 -4.494 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.991 -3.653 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.064 -2.010 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.476 -2.866 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.993 -2.762 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.164 -4.305 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.363 -2.931 10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.117 -3.194 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.920 -1.699 9.142 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.786 -6.958 6.615 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.113 -7.573 7.752 1.00 0.00 C ATOM 1538 C ILE A 104 -9.420 -6.523 8.614 1.00 0.00 C ATOM 1539 O ILE A 104 -9.405 -6.624 9.841 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.074 -8.614 7.296 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.027 -7.959 6.392 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.759 -9.765 6.575 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.870 -8.871 6.049 1.00 0.00 C ATOM 0 H ILE A 104 -10.167 -6.450 5.983 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.882 -8.073 8.341 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.569 -9.012 8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.508 -7.633 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.642 -7.066 6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.012 -10.493 6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.470 -10.244 7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.287 -9.384 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.167 -8.341 5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.364 -9.177 6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.244 -9.753 5.529 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.849 -5.515 7.964 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.156 -4.444 8.671 1.00 0.00 C ATOM 1557 C ASP A 105 -8.503 -3.085 8.072 1.00 0.00 C ATOM 1558 O ASP A 105 -9.130 -3.002 7.016 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.644 -4.666 8.622 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.914 -3.925 9.725 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.432 -3.890 10.860 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -4.823 -3.380 9.452 1.00 0.00 O ATOM 0 H ASP A 105 -8.852 -5.417 6.949 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.483 -4.457 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.433 -5.732 8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.263 -4.339 7.655 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.092 -2.021 8.755 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.361 -0.665 8.291 1.00 0.00 C ATOM 1569 C ARG A 106 -7.439 0.338 8.979 1.00 0.00 C ATOM 1570 O ARG A 106 -7.094 0.178 10.151 1.00 0.00 O ATOM 1571 CB ARG A 106 -9.821 -0.294 8.552 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.114 1.188 8.380 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.409 1.584 9.071 1.00 0.00 C ATOM 1574 NE ARG A 106 -11.945 2.839 8.553 1.00 0.00 N ATOM 1575 CZ ARG A 106 -12.823 3.590 9.208 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.262 3.214 10.401 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.263 4.721 8.670 1.00 0.00 N ATOM 0 H ARG A 106 -7.572 -2.072 9.631 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.171 -0.631 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.458 -0.863 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.087 -0.593 9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.289 1.773 8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.179 1.426 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.147 0.793 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.233 1.680 10.142 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.628 3.157 7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.925 2.346 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.936 3.793 10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.927 5.014 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.937 5.297 9.174 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.043 1.371 8.244 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.161 2.400 8.783 1.00 0.00 C ATOM 1593 C LEU A 107 -6.761 3.789 8.587 1.00 0.00 C ATOM 1594 O LEU A 107 -6.905 4.261 7.460 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.789 2.326 8.111 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.597 2.749 8.970 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.290 2.339 8.309 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.624 4.250 9.218 1.00 0.00 C ATOM 0 H LEU A 107 -7.319 1.518 7.273 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.046 2.221 9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.625 1.301 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.809 2.953 7.219 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.669 2.241 9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.453 2.648 8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.269 1.256 8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.210 2.818 7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.768 4.533 9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.578 4.777 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.545 4.517 9.736 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.108 4.438 9.693 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.689 5.775 9.644 1.00 0.00 C ATOM 1612 C ASP A 108 -6.629 6.839 9.908 1.00 0.00 C ATOM 1613 O ASP A 108 -5.944 6.808 10.930 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.820 5.900 10.666 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.436 7.285 10.682 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -8.695 8.266 10.463 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -10.659 7.388 10.914 1.00 0.00 O ATOM 0 H ASP A 108 -6.997 4.060 10.634 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.094 5.932 8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.592 5.165 10.440 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.436 5.665 11.659 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.498 7.780 8.978 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.518 8.840 9.128 1.00 0.00 C ATOM 1624 C GLY A 109 -4.379 8.721 8.135 1.00 0.00 C ATOM 1625 O GLY A 109 -4.079 7.630 7.652 1.00 0.00 O ATOM 0 H GLY A 109 -7.053 7.827 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.008 9.805 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.116 8.819 10.141 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.742 9.847 7.829 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.630 9.864 6.888 1.00 0.00 C ATOM 1631 C ALA A 110 -1.323 9.480 7.575 1.00 0.00 C ATOM 1632 O ALA A 110 -0.539 10.345 7.966 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.505 11.237 6.243 1.00 0.00 C ATOM 0 H ALA A 110 -3.978 10.759 8.220 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.833 9.126 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.670 11.235 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.426 11.474 5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.330 11.987 7.014 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.096 8.179 7.719 1.00 0.00 N ATOM 1640 CA HIS A 111 0.116 7.680 8.360 1.00 0.00 C ATOM 1641 C HIS A 111 1.052 7.049 7.334 1.00 0.00 C ATOM 1642 O HIS A 111 0.702 6.064 6.683 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.237 6.660 9.442 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.894 7.265 10.644 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.216 8.038 11.564 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.176 7.209 11.075 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.052 8.429 12.509 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.249 7.940 12.235 1.00 0.00 N ATOM 0 H HIS A 111 -1.735 7.451 7.401 1.00 0.00 H new ATOM 0 HA HIS A 111 0.628 8.524 8.822 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.900 5.906 9.017 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.672 6.146 9.755 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -2.990 6.686 10.595 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.800 9.044 13.361 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.090 8.082 12.794 1.00 0.00 H new ATOM 1657 N ALA A 112 2.243 7.622 7.195 1.00 0.00 N ATOM 1658 CA ALA A 112 3.229 7.114 6.249 1.00 0.00 C ATOM 1659 C ALA A 112 3.743 5.743 6.676 1.00 0.00 C ATOM 1660 O ALA A 112 3.635 4.758 5.945 1.00 0.00 O ATOM 1661 CB ALA A 112 4.385 8.094 6.114 1.00 0.00 C ATOM 0 H ALA A 112 2.548 8.438 7.725 1.00 0.00 H new ATOM 0 HA ALA A 112 2.744 7.006 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.114 7.702 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.009 9.053 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.861 8.231 7.085 1.00 0.00 H new ATOM 1667 N PRO A 113 4.317 5.675 7.886 1.00 0.00 N ATOM 1668 CA PRO A 113 4.859 4.430 8.437 1.00 0.00 C ATOM 1669 C PRO A 113 3.766 3.428 8.791 1.00 0.00 C ATOM 1670 O PRO A 113 3.836 2.260 8.411 1.00 0.00 O ATOM 1671 CB PRO A 113 5.592 4.890 9.700 1.00 0.00 C ATOM 1672 CG PRO A 113 4.911 6.155 10.094 1.00 0.00 C ATOM 1673 CD PRO A 113 4.479 6.810 8.811 1.00 0.00 C ATOM 0 HA PRO A 113 5.498 3.912 7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.526 4.142 10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.652 5.055 9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.054 5.953 10.737 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.585 6.803 10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.548 7.363 8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.225 7.519 8.451 1.00 0.00 H new ATOM 1681 N GLU A 114 2.756 3.893 9.520 1.00 0.00 N ATOM 1682 CA GLU A 114 1.649 3.036 9.925 1.00 0.00 C ATOM 1683 C GLU A 114 1.077 2.283 8.727 1.00 0.00 C ATOM 1684 O GLU A 114 0.772 1.093 8.816 1.00 0.00 O ATOM 1685 CB GLU A 114 0.549 3.866 10.591 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.338 3.063 11.527 1.00 0.00 C ATOM 1687 CD GLU A 114 -0.942 3.910 12.630 1.00 0.00 C ATOM 1688 OE1 GLU A 114 -0.259 4.131 13.651 1.00 0.00 O ATOM 1689 OE2 GLU A 114 -2.099 4.354 12.470 1.00 0.00 O ATOM 0 H GLU A 114 2.682 4.858 9.842 1.00 0.00 H new ATOM 0 HA GLU A 114 2.030 2.309 10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.009 4.681 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.071 4.320 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.139 2.597 10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.246 2.257 11.972 1.00 0.00 H new ATOM 1696 N LEU A 115 0.935 2.985 7.608 1.00 0.00 N ATOM 1697 CA LEU A 115 0.400 2.384 6.391 1.00 0.00 C ATOM 1698 C LEU A 115 1.211 1.157 5.988 1.00 0.00 C ATOM 1699 O LEU A 115 0.687 0.044 5.930 1.00 0.00 O ATOM 1700 CB LEU A 115 0.398 3.406 5.253 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.181 2.926 3.921 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.622 2.474 4.098 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.090 4.025 2.873 1.00 0.00 C ATOM 0 H LEU A 115 1.183 3.970 7.518 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.624 2.069 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.166 4.280 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.424 3.733 5.084 1.00 0.00 H new ATOM 0 HG LEU A 115 0.406 2.074 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.018 2.136 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.661 1.655 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.222 3.307 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.506 3.666 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.652 4.896 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.954 4.302 2.726 1.00 0.00 H new ATOM 1715 N THR A 116 2.494 1.366 5.711 1.00 0.00 N ATOM 1716 CA THR A 116 3.378 0.278 5.314 1.00 0.00 C ATOM 1717 C THR A 116 3.242 -0.912 6.257 1.00 0.00 C ATOM 1718 O THR A 116 3.112 -2.055 5.816 1.00 0.00 O ATOM 1719 CB THR A 116 4.850 0.731 5.288 1.00 0.00 C ATOM 1720 OG1 THR A 116 5.002 1.851 4.408 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.757 -0.403 4.834 1.00 0.00 C ATOM 0 H THR A 116 2.944 2.280 5.754 1.00 0.00 H new ATOM 0 HA THR A 116 3.080 -0.021 4.309 1.00 0.00 H new ATOM 0 HB THR A 116 5.136 1.022 6.299 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.940 2.134 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.791 -0.060 4.823 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.661 -1.243 5.521 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.470 -0.720 3.831 1.00 0.00 H new ATOM 1729 N LYS A 117 3.271 -0.638 7.557 1.00 0.00 N ATOM 1730 CA LYS A 117 3.149 -1.686 8.563 1.00 0.00 C ATOM 1731 C LYS A 117 1.958 -2.592 8.264 1.00 0.00 C ATOM 1732 O LYS A 117 2.097 -3.812 8.186 1.00 0.00 O ATOM 1733 CB LYS A 117 2.998 -1.070 9.955 1.00 0.00 C ATOM 1734 CG LYS A 117 4.202 -0.254 10.394 1.00 0.00 C ATOM 1735 CD LYS A 117 4.282 -0.147 11.907 1.00 0.00 C ATOM 1736 CE LYS A 117 5.549 0.569 12.350 1.00 0.00 C ATOM 1737 NZ LYS A 117 5.610 0.725 13.829 1.00 0.00 N ATOM 0 H LYS A 117 3.378 0.302 7.939 1.00 0.00 H new ATOM 0 HA LYS A 117 4.057 -2.288 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.114 -0.433 9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.826 -1.867 10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.113 -0.714 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.144 0.744 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.410 0.389 12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.255 -1.145 12.345 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.420 0.011 12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.595 1.551 11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.488 1.217 14.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.792 1.280 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.592 -0.213 14.278 1.00 0.00 H new ATOM 1751 N LYS A 118 0.788 -1.986 8.096 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.428 -2.736 7.803 1.00 0.00 C ATOM 1753 C LYS A 118 -0.332 -3.415 6.441 1.00 0.00 C ATOM 1754 O LYS A 118 -0.672 -4.589 6.296 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.645 -1.809 7.839 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.247 -1.648 9.224 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.467 -0.744 9.200 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.904 -0.359 10.605 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.392 -1.537 11.376 1.00 0.00 N ATOM 0 H LYS A 118 0.656 -0.977 8.158 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.544 -3.506 8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.355 -0.828 7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.407 -2.198 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.525 -2.626 9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.500 -1.234 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.243 0.156 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.286 -1.250 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.068 0.099 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.694 0.390 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.404 -1.420 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.252 -2.401 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.861 -1.613 12.267 1.00 0.00 H new ATOM 1773 N VAL A 119 0.133 -2.669 5.444 1.00 0.00 N ATOM 1774 CA VAL A 119 0.276 -3.200 4.094 1.00 0.00 C ATOM 1775 C VAL A 119 1.091 -4.488 4.093 1.00 0.00 C ATOM 1776 O VAL A 119 0.611 -5.537 3.664 1.00 0.00 O ATOM 1777 CB VAL A 119 0.949 -2.179 3.157 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.136 -2.771 1.768 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.134 -0.896 3.094 1.00 0.00 C ATOM 0 H VAL A 119 0.417 -1.695 5.546 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.729 -3.409 3.729 1.00 0.00 H new ATOM 0 HB VAL A 119 1.933 -1.937 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.613 -2.035 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.765 -3.659 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.165 -3.043 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.624 -0.186 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.865 -1.117 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.058 -0.464 4.092 1.00 0.00 H new ATOM 1789 N GLN A 120 2.326 -4.401 4.577 1.00 0.00 N ATOM 1790 CA GLN A 120 3.208 -5.561 4.632 1.00 0.00 C ATOM 1791 C GLN A 120 2.581 -6.684 5.451 1.00 0.00 C ATOM 1792 O GLN A 120 2.490 -7.823 4.994 1.00 0.00 O ATOM 1793 CB GLN A 120 4.561 -5.171 5.231 1.00 0.00 C ATOM 1794 CG GLN A 120 5.241 -4.023 4.502 1.00 0.00 C ATOM 1795 CD GLN A 120 6.746 -4.027 4.683 1.00 0.00 C ATOM 1796 OE1 GLN A 120 7.257 -4.446 5.722 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.465 -3.558 3.671 1.00 0.00 N ATOM 0 H GLN A 120 2.738 -3.540 4.936 1.00 0.00 H new ATOM 0 HA GLN A 120 3.359 -5.920 3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.420 -4.894 6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.219 -6.040 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.007 -4.083 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.838 -3.078 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.000 -3.221 2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.483 -3.535 3.736 1.00 0.00 H new ATOM 1806 N ARG A 121 2.149 -6.355 6.665 1.00 0.00 N ATOM 1807 CA ARG A 121 1.532 -7.336 7.548 1.00 0.00 C ATOM 1808 C ARG A 121 0.536 -8.204 6.785 1.00 0.00 C ATOM 1809 O ARG A 121 0.675 -9.427 6.733 1.00 0.00 O ATOM 1810 CB ARG A 121 0.827 -6.635 8.711 1.00 0.00 C ATOM 1811 CG ARG A 121 0.053 -7.581 9.614 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.674 -6.829 10.717 1.00 0.00 C ATOM 1813 NE ARG A 121 -0.986 -7.690 11.854 1.00 0.00 N ATOM 1814 CZ ARG A 121 -1.336 -7.231 13.051 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -1.418 -5.925 13.265 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -1.604 -8.078 14.036 1.00 0.00 N ATOM 0 H ARG A 121 2.215 -5.416 7.058 1.00 0.00 H new ATOM 0 HA ARG A 121 2.319 -7.978 7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.569 -6.103 9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.143 -5.886 8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.667 -8.144 9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.737 -8.305 10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.059 -5.994 11.053 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.596 -6.405 10.320 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.932 -8.700 11.722 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.212 -5.271 12.510 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.687 -5.575 14.184 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.542 -9.083 13.875 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.872 -7.724 14.954 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.469 -7.564 6.195 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.488 -8.278 5.434 1.00 0.00 C ATOM 1832 C HIS A 122 -0.881 -8.940 4.201 1.00 0.00 C ATOM 1833 O HIS A 122 -1.048 -10.140 3.983 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.605 -7.322 5.016 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.212 -6.573 6.162 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.674 -7.190 7.305 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.431 -5.248 6.338 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.151 -6.279 8.134 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -4.015 -5.092 7.570 1.00 0.00 N ATOM 0 H HIS A 122 -0.599 -6.553 6.229 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.906 -9.056 6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.209 -6.607 4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.386 -7.888 4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.191 -4.461 5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.579 -6.472 9.107 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.298 -4.204 7.983 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.178 -8.150 3.396 1.00 0.00 N ATOM 1849 CA ALA A 123 0.454 -8.660 2.186 1.00 0.00 C ATOM 1850 C ALA A 123 0.938 -10.093 2.381 1.00 0.00 C ATOM 1851 O ALA A 123 0.796 -10.932 1.492 1.00 0.00 O ATOM 1852 CB ALA A 123 1.612 -7.762 1.777 1.00 0.00 C ATOM 0 H ALA A 123 -0.032 -7.154 3.560 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.291 -8.661 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.075 -8.155 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.242 -6.754 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.350 -7.732 2.578 1.00 0.00 H new ATOM 1858 N SER A 124 1.509 -10.366 3.550 1.00 0.00 N ATOM 1859 CA SER A 124 2.017 -11.697 3.859 1.00 0.00 C ATOM 1860 C SER A 124 1.142 -12.774 3.225 1.00 0.00 C ATOM 1861 O SER A 124 -0.085 -12.679 3.238 1.00 0.00 O ATOM 1862 CB SER A 124 2.081 -11.902 5.374 1.00 0.00 C ATOM 1863 OG SER A 124 3.306 -11.426 5.902 1.00 0.00 O ATOM 0 H SER A 124 1.631 -9.683 4.298 1.00 0.00 H new ATOM 0 HA SER A 124 3.022 -11.780 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.250 -11.382 5.850 1.00 0.00 H new ATOM 0 HB3 SER A 124 1.969 -12.961 5.606 1.00 0.00 H new ATOM 0 HG SER A 124 3.321 -11.567 6.872 1.00 0.00 H new ATOM 1869 N SER A 125 1.783 -13.798 2.671 1.00 0.00 N ATOM 1870 CA SER A 125 1.065 -14.892 2.028 1.00 0.00 C ATOM 1871 C SER A 125 0.423 -15.806 3.068 1.00 0.00 C ATOM 1872 O SER A 125 0.614 -15.627 4.270 1.00 0.00 O ATOM 1873 CB SER A 125 2.012 -15.700 1.139 1.00 0.00 C ATOM 1874 OG SER A 125 2.429 -14.942 0.016 1.00 0.00 O ATOM 0 H SER A 125 2.798 -13.893 2.655 1.00 0.00 H new ATOM 0 HA SER A 125 0.277 -14.462 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.883 -16.009 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 125 1.513 -16.609 0.803 1.00 0.00 H new ATOM 0 HG SER A 125 3.035 -15.480 -0.535 1.00 0.00 H new ATOM 1880 N GLY A 126 -0.341 -16.786 2.594 1.00 0.00 N ATOM 1881 CA GLY A 126 -1.001 -17.713 3.495 1.00 0.00 C ATOM 1882 C GLY A 126 -2.469 -17.897 3.164 1.00 0.00 C ATOM 1883 O GLY A 126 -2.910 -17.651 2.041 1.00 0.00 O ATOM 0 H GLY A 126 -0.514 -16.954 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.498 -18.679 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -0.905 -17.351 4.519 1.00 0.00 H new ATOM 1887 N PRO A 127 -3.252 -18.342 4.158 1.00 0.00 N ATOM 1888 CA PRO A 127 -4.690 -18.570 3.991 1.00 0.00 C ATOM 1889 C PRO A 127 -5.469 -17.269 3.828 1.00 0.00 C ATOM 1890 O PRO A 127 -5.122 -16.249 4.424 1.00 0.00 O ATOM 1891 CB PRO A 127 -5.091 -19.274 5.290 1.00 0.00 C ATOM 1892 CG PRO A 127 -4.076 -18.835 6.287 1.00 0.00 C ATOM 1893 CD PRO A 127 -2.794 -18.656 5.522 1.00 0.00 C ATOM 0 HA PRO A 127 -4.909 -19.146 3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -6.097 -18.992 5.599 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -5.086 -20.357 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -4.377 -17.904 6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -3.959 -19.577 7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -2.187 -17.851 5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -2.184 -19.559 5.543 1.00 0.00 H new ATOM 1901 N SER A 128 -6.522 -17.312 3.019 1.00 0.00 N ATOM 1902 CA SER A 128 -7.348 -16.135 2.776 1.00 0.00 C ATOM 1903 C SER A 128 -8.258 -15.853 3.968 1.00 0.00 C ATOM 1904 O SER A 128 -8.295 -14.737 4.484 1.00 0.00 O ATOM 1905 CB SER A 128 -8.189 -16.328 1.512 1.00 0.00 C ATOM 1906 OG SER A 128 -7.365 -16.531 0.377 1.00 0.00 O ATOM 0 H SER A 128 -6.824 -18.149 2.520 1.00 0.00 H new ATOM 0 HA SER A 128 -6.686 -15.280 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.853 -17.183 1.640 1.00 0.00 H new ATOM 0 HB3 SER A 128 -8.821 -15.454 1.355 1.00 0.00 H new ATOM 0 HG SER A 128 -7.926 -16.653 -0.417 1.00 0.00 H new ATOM 1912 N SER A 129 -8.990 -16.875 4.399 1.00 0.00 N ATOM 1913 CA SER A 129 -9.903 -16.739 5.528 1.00 0.00 C ATOM 1914 C SER A 129 -9.488 -17.654 6.676 1.00 0.00 C ATOM 1915 O SER A 129 -8.560 -18.451 6.545 1.00 0.00 O ATOM 1916 CB SER A 129 -11.334 -17.061 5.095 1.00 0.00 C ATOM 1917 OG SER A 129 -11.492 -18.447 4.845 1.00 0.00 O ATOM 0 H SER A 129 -8.969 -17.806 3.984 1.00 0.00 H new ATOM 0 HA SER A 129 -9.860 -15.707 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 129 -12.032 -16.747 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 129 -11.581 -16.496 4.196 1.00 0.00 H new ATOM 0 HG SER A 129 -12.416 -18.627 4.572 1.00 0.00 H new ATOM 1923 N GLY A 130 -10.185 -17.533 7.802 1.00 0.00 N ATOM 1924 CA GLY A 130 -9.875 -18.355 8.958 1.00 0.00 C ATOM 1925 C GLY A 130 -10.968 -19.359 9.264 1.00 0.00 C ATOM 1926 O GLY A 130 -10.687 -20.503 9.621 1.00 0.00 O ATOM 0 H GLY A 130 -10.958 -16.881 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -8.938 -18.884 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -9.722 -17.713 9.826 1.00 0.00 H new TER 1930 GLY A 130