USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0409) USER MOD Set 1.2: A 95 TYR OH : rot 134:sc= 0.019 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= -0.0681 (180deg=-1.09) USER MOD Single : A 12 ASN : amide:sc=-0.00786 X(o=-0.0079,f=-0.014) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 153:sc= -0.313 (180deg=-0.462) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -1.55 F(o=-2.1,f=-1.5) USER MOD Single : A 28 GLN : amide:sc= -0.0235 X(o=-0.024,f=-0.29) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.242 K(o=-0.24,f=-0.8) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0424 K(o=-0.042,f=-4.6!) USER MOD Single : A 67 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-2.6) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.276 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -154:sc= 0.00341 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.193 F(o=-1.7,f=-0.19) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= -1.36 (180deg=-2.8!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.39) USER MOD Single : A 93 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.038) USER MOD Single : A 94 THR OG1 : rot -170:sc= -0.719 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -0.0915 (180deg=-0.44) USER MOD Single : A 102 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.352 USER MOD Single : A 111 ASN : amide:sc= -2.73 K(o=-2.7,f=-3.5!) USER MOD Single : A 112 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.8!) USER MOD Single : A 113 ASN :FLIP amide:sc= -1.35 F(o=-3.7!,f=-1.4) USER MOD Single : A 115 THR OG1 : rot 32:sc= 0.618 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= -0.188 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.804 -28.422 2.994 1.00 0.00 N ATOM 2 CA GLY A 1 18.392 -27.677 4.169 1.00 0.00 C ATOM 3 C GLY A 1 16.885 -27.631 4.327 1.00 0.00 C ATOM 4 O GLY A 1 16.226 -28.670 4.362 1.00 0.00 O ATOM 0 H1 GLY A 1 19.842 -28.424 2.931 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.459 -29.401 3.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.406 -27.976 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.834 -28.131 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.779 -26.660 4.105 1.00 0.00 H new ATOM 8 N SER A 2 16.338 -26.423 4.425 1.00 0.00 N ATOM 9 CA SER A 2 14.900 -26.246 4.586 1.00 0.00 C ATOM 10 C SER A 2 14.230 -25.990 3.240 1.00 0.00 C ATOM 11 O SER A 2 14.311 -24.891 2.693 1.00 0.00 O ATOM 12 CB SER A 2 14.612 -25.086 5.541 1.00 0.00 C ATOM 13 OG SER A 2 14.713 -25.501 6.893 1.00 0.00 O ATOM 0 H SER A 2 16.869 -25.553 4.396 1.00 0.00 H new ATOM 0 HA SER A 2 14.490 -27.164 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.314 -24.274 5.353 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.613 -24.694 5.351 1.00 0.00 H new ATOM 0 HG SER A 2 14.526 -24.741 7.483 1.00 0.00 H new ATOM 19 N SER A 3 13.568 -27.015 2.711 1.00 0.00 N ATOM 20 CA SER A 3 12.886 -26.903 1.427 1.00 0.00 C ATOM 21 C SER A 3 11.484 -26.330 1.604 1.00 0.00 C ATOM 22 O SER A 3 10.552 -27.041 1.978 1.00 0.00 O ATOM 23 CB SER A 3 12.808 -28.271 0.747 1.00 0.00 C ATOM 24 OG SER A 3 14.033 -28.597 0.114 1.00 0.00 O ATOM 0 H SER A 3 13.490 -27.932 3.152 1.00 0.00 H new ATOM 0 HA SER A 3 13.460 -26.223 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.562 -29.034 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.004 -28.269 0.011 1.00 0.00 H new ATOM 0 HG SER A 3 13.957 -29.477 -0.312 1.00 0.00 H new ATOM 30 N GLY A 4 11.342 -25.036 1.333 1.00 0.00 N ATOM 31 CA GLY A 4 10.050 -24.387 1.468 1.00 0.00 C ATOM 32 C GLY A 4 9.621 -23.681 0.198 1.00 0.00 C ATOM 33 O GLY A 4 9.852 -22.483 0.037 1.00 0.00 O ATOM 0 H GLY A 4 12.098 -24.426 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.300 -25.130 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.093 -23.666 2.284 1.00 0.00 H new ATOM 37 N SER A 5 8.994 -24.425 -0.708 1.00 0.00 N ATOM 38 CA SER A 5 8.536 -23.864 -1.974 1.00 0.00 C ATOM 39 C SER A 5 7.188 -24.455 -2.373 1.00 0.00 C ATOM 40 O SER A 5 6.942 -25.648 -2.193 1.00 0.00 O ATOM 41 CB SER A 5 9.566 -24.125 -3.074 1.00 0.00 C ATOM 42 OG SER A 5 9.630 -25.503 -3.397 1.00 0.00 O ATOM 0 H SER A 5 8.792 -25.418 -0.589 1.00 0.00 H new ATOM 0 HA SER A 5 8.418 -22.788 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.306 -23.552 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.547 -23.779 -2.748 1.00 0.00 H new ATOM 0 HG SER A 5 10.294 -25.643 -4.104 1.00 0.00 H new ATOM 48 N SER A 6 6.316 -23.611 -2.917 1.00 0.00 N ATOM 49 CA SER A 6 4.990 -24.048 -3.339 1.00 0.00 C ATOM 50 C SER A 6 4.683 -23.562 -4.752 1.00 0.00 C ATOM 51 O SER A 6 4.855 -22.386 -5.067 1.00 0.00 O ATOM 52 CB SER A 6 3.927 -23.532 -2.367 1.00 0.00 C ATOM 53 OG SER A 6 3.826 -24.372 -1.230 1.00 0.00 O ATOM 0 H SER A 6 6.504 -22.621 -3.076 1.00 0.00 H new ATOM 0 HA SER A 6 4.975 -25.138 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.178 -22.519 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.962 -23.480 -2.872 1.00 0.00 H new ATOM 0 HG SER A 6 3.142 -24.020 -0.623 1.00 0.00 H new ATOM 59 N GLY A 7 4.226 -24.479 -5.600 1.00 0.00 N ATOM 60 CA GLY A 7 3.901 -24.126 -6.970 1.00 0.00 C ATOM 61 C GLY A 7 4.920 -23.186 -7.583 1.00 0.00 C ATOM 62 O GLY A 7 6.025 -23.012 -7.068 1.00 0.00 O ATOM 0 H GLY A 7 4.075 -25.459 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.840 -25.033 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.917 -23.658 -6.998 1.00 0.00 H new ATOM 66 N PRO A 8 4.551 -22.562 -8.712 1.00 0.00 N ATOM 67 CA PRO A 8 5.428 -21.626 -9.421 1.00 0.00 C ATOM 68 C PRO A 8 5.630 -20.325 -8.652 1.00 0.00 C ATOM 69 O PRO A 8 4.855 -19.996 -7.754 1.00 0.00 O ATOM 70 CB PRO A 8 4.679 -21.361 -10.730 1.00 0.00 C ATOM 71 CG PRO A 8 3.249 -21.623 -10.408 1.00 0.00 C ATOM 72 CD PRO A 8 3.250 -22.722 -9.381 1.00 0.00 C ATOM 0 HA PRO A 8 6.430 -22.033 -9.561 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.827 -20.336 -11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.032 -22.015 -11.527 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.766 -20.726 -10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.697 -21.922 -11.299 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.422 -22.618 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.154 -23.704 -9.843 1.00 0.00 H new ATOM 80 N TYR A 9 6.676 -19.588 -9.009 1.00 0.00 N ATOM 81 CA TYR A 9 6.982 -18.324 -8.350 1.00 0.00 C ATOM 82 C TYR A 9 6.995 -17.175 -9.355 1.00 0.00 C ATOM 83 O TYR A 9 7.731 -17.206 -10.340 1.00 0.00 O ATOM 84 CB TYR A 9 8.333 -18.409 -7.638 1.00 0.00 C ATOM 85 CG TYR A 9 9.429 -19.010 -8.489 1.00 0.00 C ATOM 86 CD1 TYR A 9 10.175 -18.221 -9.355 1.00 0.00 C ATOM 87 CD2 TYR A 9 9.718 -20.367 -8.425 1.00 0.00 C ATOM 88 CE1 TYR A 9 11.176 -18.766 -10.135 1.00 0.00 C ATOM 89 CE2 TYR A 9 10.719 -20.921 -9.200 1.00 0.00 C ATOM 90 CZ TYR A 9 11.445 -20.117 -10.053 1.00 0.00 C ATOM 91 OH TYR A 9 12.443 -20.664 -10.827 1.00 0.00 O ATOM 0 H TYR A 9 7.327 -19.844 -9.752 1.00 0.00 H new ATOM 0 HA TYR A 9 6.203 -18.130 -7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.634 -17.409 -7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.220 -19.005 -6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.969 -17.163 -9.420 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.151 -21.000 -7.758 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.745 -18.139 -10.805 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.932 -21.978 -9.138 1.00 0.00 H new ATOM 0 HH TYR A 9 12.505 -21.626 -10.649 1.00 0.00 H new ATOM 101 N ASN A 10 6.174 -16.162 -9.096 1.00 0.00 N ATOM 102 CA ASN A 10 6.090 -15.003 -9.977 1.00 0.00 C ATOM 103 C ASN A 10 6.341 -13.712 -9.202 1.00 0.00 C ATOM 104 O ASN A 10 5.658 -12.709 -9.408 1.00 0.00 O ATOM 105 CB ASN A 10 4.718 -14.947 -10.651 1.00 0.00 C ATOM 106 CG ASN A 10 4.648 -15.816 -11.892 1.00 0.00 C ATOM 107 OD1 ASN A 10 4.163 -16.946 -11.845 1.00 0.00 O ATOM 108 ND2 ASN A 10 5.135 -15.291 -13.011 1.00 0.00 N ATOM 0 H ASN A 10 5.558 -16.120 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 10 6.860 -15.103 -10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.955 -15.268 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.490 -13.916 -10.920 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.116 -15.829 -13.877 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.528 -14.350 -13.004 1.00 0.00 H new ATOM 115 N LYS A 11 7.327 -13.746 -8.311 1.00 0.00 N ATOM 116 CA LYS A 11 7.671 -12.580 -7.507 1.00 0.00 C ATOM 117 C LYS A 11 7.529 -11.297 -8.319 1.00 0.00 C ATOM 118 O LYS A 11 8.152 -11.143 -9.368 1.00 0.00 O ATOM 119 CB LYS A 11 9.101 -12.704 -6.977 1.00 0.00 C ATOM 120 CG LYS A 11 9.403 -11.772 -5.816 1.00 0.00 C ATOM 121 CD LYS A 11 9.807 -10.390 -6.301 1.00 0.00 C ATOM 122 CE LYS A 11 11.258 -10.360 -6.754 1.00 0.00 C ATOM 123 NZ LYS A 11 11.515 -9.259 -7.724 1.00 0.00 N ATOM 0 H LYS A 11 7.901 -14.569 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 11 6.980 -12.535 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.274 -13.733 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.799 -12.498 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.525 -11.691 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.204 -12.194 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.161 -10.090 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.660 -9.665 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.907 -10.238 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.515 -11.315 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.099 -9.616 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.610 -8.908 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.015 -8.483 -7.244 1.00 0.00 H new ATOM 137 N ASN A 12 6.705 -10.377 -7.826 1.00 0.00 N ATOM 138 CA ASN A 12 6.482 -9.107 -8.506 1.00 0.00 C ATOM 139 C ASN A 12 7.505 -8.065 -8.062 1.00 0.00 C ATOM 140 O ASN A 12 7.896 -7.194 -8.838 1.00 0.00 O ATOM 141 CB ASN A 12 5.066 -8.597 -8.229 1.00 0.00 C ATOM 142 CG ASN A 12 4.811 -7.236 -8.845 1.00 0.00 C ATOM 143 OD1 ASN A 12 5.022 -6.204 -8.207 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.353 -7.227 -10.092 1.00 0.00 N ATOM 0 H ASN A 12 6.181 -10.488 -6.958 1.00 0.00 H new ATOM 0 HA ASN A 12 6.598 -9.272 -9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.342 -9.312 -8.621 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.907 -8.541 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.162 -6.340 -10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.193 -8.107 -10.583 1.00 0.00 H new ATOM 151 N GLY A 13 7.935 -8.163 -6.808 1.00 0.00 N ATOM 152 CA GLY A 13 8.909 -7.224 -6.283 1.00 0.00 C ATOM 153 C GLY A 13 8.662 -6.887 -4.826 1.00 0.00 C ATOM 154 O GLY A 13 9.571 -6.449 -4.119 1.00 0.00 O ATOM 0 H GLY A 13 7.626 -8.875 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.909 -7.644 -6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.882 -6.309 -6.874 1.00 0.00 H new ATOM 158 N PHE A 14 7.429 -7.090 -4.374 1.00 0.00 N ATOM 159 CA PHE A 14 7.065 -6.803 -2.991 1.00 0.00 C ATOM 160 C PHE A 14 7.831 -7.704 -2.028 1.00 0.00 C ATOM 161 O PHE A 14 8.070 -8.877 -2.313 1.00 0.00 O ATOM 162 CB PHE A 14 5.559 -6.986 -2.790 1.00 0.00 C ATOM 163 CG PHE A 14 4.732 -5.917 -3.445 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.495 -5.945 -4.810 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.192 -4.884 -2.696 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.733 -4.963 -5.416 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.430 -3.899 -3.297 1.00 0.00 C ATOM 168 CZ PHE A 14 3.202 -3.938 -4.658 1.00 0.00 C ATOM 0 H PHE A 14 6.665 -7.452 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 14 7.330 -5.767 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.263 -7.957 -3.187 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.342 -6.998 -1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.910 -6.743 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.368 -4.848 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.553 -4.998 -6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.013 -3.100 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.609 -3.168 -5.129 1.00 0.00 H new ATOM 178 N LYS A 15 8.216 -7.146 -0.885 1.00 0.00 N ATOM 179 CA LYS A 15 8.955 -7.896 0.123 1.00 0.00 C ATOM 180 C LYS A 15 8.268 -7.805 1.482 1.00 0.00 C ATOM 181 O LYS A 15 7.450 -6.916 1.717 1.00 0.00 O ATOM 182 CB LYS A 15 10.389 -7.373 0.228 1.00 0.00 C ATOM 183 CG LYS A 15 11.076 -7.204 -1.116 1.00 0.00 C ATOM 184 CD LYS A 15 12.580 -7.381 -1.001 1.00 0.00 C ATOM 185 CE LYS A 15 13.253 -6.115 -0.492 1.00 0.00 C ATOM 186 NZ LYS A 15 14.698 -6.333 -0.203 1.00 0.00 N ATOM 0 H LYS A 15 8.028 -6.175 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 15 8.978 -8.942 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.380 -6.413 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.973 -8.059 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.677 -7.931 -1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.855 -6.215 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.800 -8.208 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.992 -7.647 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.146 -5.324 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.749 -5.774 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.121 -5.447 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.799 -7.070 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.184 -6.634 -1.072 1.00 0.00 H new ATOM 200 N VAL A 16 8.608 -8.730 2.375 1.00 0.00 N ATOM 201 CA VAL A 16 8.026 -8.752 3.711 1.00 0.00 C ATOM 202 C VAL A 16 8.728 -7.761 4.633 1.00 0.00 C ATOM 203 O VAL A 16 9.929 -7.867 4.876 1.00 0.00 O ATOM 204 CB VAL A 16 8.103 -10.159 4.334 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.667 -10.123 5.791 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.255 -11.140 3.539 1.00 0.00 C ATOM 0 H VAL A 16 9.283 -9.473 2.197 1.00 0.00 H new ATOM 0 HA VAL A 16 6.979 -8.466 3.605 1.00 0.00 H new ATOM 0 HB VAL A 16 9.139 -10.497 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.728 -11.126 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.320 -9.453 6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.640 -9.764 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.321 -12.129 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.217 -10.808 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.619 -11.187 2.513 1.00 0.00 H new ATOM 216 N GLY A 17 7.968 -6.797 5.144 1.00 0.00 N ATOM 217 CA GLY A 17 8.535 -5.800 6.034 1.00 0.00 C ATOM 218 C GLY A 17 8.166 -4.386 5.631 1.00 0.00 C ATOM 219 O GLY A 17 8.374 -3.442 6.393 1.00 0.00 O ATOM 0 H GLY A 17 6.971 -6.689 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.189 -5.987 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.620 -5.900 6.043 1.00 0.00 H new ATOM 223 N MET A 18 7.620 -4.239 4.428 1.00 0.00 N ATOM 224 CA MET A 18 7.222 -2.930 3.925 1.00 0.00 C ATOM 225 C MET A 18 5.740 -2.675 4.181 1.00 0.00 C ATOM 226 O MET A 18 4.911 -3.574 4.034 1.00 0.00 O ATOM 227 CB MET A 18 7.519 -2.823 2.428 1.00 0.00 C ATOM 228 CG MET A 18 7.356 -4.138 1.682 1.00 0.00 C ATOM 229 SD MET A 18 7.214 -3.911 -0.102 1.00 0.00 S ATOM 230 CE MET A 18 8.940 -3.808 -0.568 1.00 0.00 C ATOM 0 H MET A 18 7.443 -5.010 3.784 1.00 0.00 H new ATOM 0 HA MET A 18 7.799 -2.174 4.458 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.856 -2.079 1.986 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.538 -2.462 2.293 1.00 0.00 H new ATOM 0 HG2 MET A 18 8.210 -4.781 1.896 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.469 -4.653 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.059 -4.142 -1.599 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.280 -2.776 -0.480 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.533 -4.443 0.090 1.00 0.00 H new ATOM 240 N LYS A 19 5.413 -1.446 4.565 1.00 0.00 N ATOM 241 CA LYS A 19 4.031 -1.073 4.841 1.00 0.00 C ATOM 242 C LYS A 19 3.425 -0.318 3.661 1.00 0.00 C ATOM 243 O LYS A 19 4.137 0.337 2.899 1.00 0.00 O ATOM 244 CB LYS A 19 3.956 -0.211 6.103 1.00 0.00 C ATOM 245 CG LYS A 19 4.574 -0.868 7.325 1.00 0.00 C ATOM 246 CD LYS A 19 4.522 0.047 8.537 1.00 0.00 C ATOM 247 CE LYS A 19 5.656 -0.247 9.507 1.00 0.00 C ATOM 248 NZ LYS A 19 5.624 -1.657 9.986 1.00 0.00 N ATOM 0 H LYS A 19 6.087 -0.691 4.692 1.00 0.00 H new ATOM 0 HA LYS A 19 3.459 -1.987 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.461 0.737 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.912 0.020 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.047 -1.796 7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.610 -1.133 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.580 1.086 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.566 -0.075 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.611 -0.050 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.589 0.428 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.325 -1.782 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.676 -1.878 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.849 -2.297 9.197 1.00 0.00 H new ATOM 262 N LEU A 20 2.108 -0.413 3.518 1.00 0.00 N ATOM 263 CA LEU A 20 1.406 0.262 2.432 1.00 0.00 C ATOM 264 C LEU A 20 -0.083 0.382 2.737 1.00 0.00 C ATOM 265 O LEU A 20 -0.544 -0.038 3.798 1.00 0.00 O ATOM 266 CB LEU A 20 1.610 -0.496 1.118 1.00 0.00 C ATOM 267 CG LEU A 20 0.889 -1.839 0.999 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.570 -2.147 -0.455 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.730 -2.951 1.610 1.00 0.00 C ATOM 0 H LEU A 20 1.505 -0.951 4.140 1.00 0.00 H new ATOM 0 HA LEU A 20 1.819 1.266 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.282 0.143 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.678 -0.666 0.982 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.050 -1.776 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.057 -3.107 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.072 -1.365 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.496 -2.191 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.202 -3.900 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.685 -3.014 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.907 -2.736 2.664 1.00 0.00 H new ATOM 281 N GLU A 21 -0.830 0.956 1.799 1.00 0.00 N ATOM 282 CA GLU A 21 -2.268 1.129 1.969 1.00 0.00 C ATOM 283 C GLU A 21 -3.040 0.325 0.927 1.00 0.00 C ATOM 284 O GLU A 21 -2.811 0.463 -0.274 1.00 0.00 O ATOM 285 CB GLU A 21 -2.642 2.610 1.866 1.00 0.00 C ATOM 286 CG GLU A 21 -1.987 3.478 2.927 1.00 0.00 C ATOM 287 CD GLU A 21 -2.255 4.956 2.719 1.00 0.00 C ATOM 288 OE1 GLU A 21 -3.434 5.360 2.794 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.287 5.707 2.480 1.00 0.00 O ATOM 0 H GLU A 21 -0.464 1.309 0.915 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.537 0.761 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.359 2.980 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.725 2.709 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.352 3.181 3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.911 3.303 2.921 1.00 0.00 H new ATOM 296 N GLY A 22 -3.955 -0.517 1.396 1.00 0.00 N ATOM 297 CA GLY A 22 -4.746 -1.332 0.493 1.00 0.00 C ATOM 298 C GLY A 22 -6.235 -1.206 0.751 1.00 0.00 C ATOM 299 O GLY A 22 -6.651 -0.694 1.791 1.00 0.00 O ATOM 0 H GLY A 22 -4.163 -0.649 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.533 -1.041 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.450 -2.376 0.597 1.00 0.00 H new ATOM 303 N VAL A 23 -7.040 -1.671 -0.199 1.00 0.00 N ATOM 304 CA VAL A 23 -8.491 -1.607 -0.070 1.00 0.00 C ATOM 305 C VAL A 23 -9.045 -2.886 0.549 1.00 0.00 C ATOM 306 O VAL A 23 -8.538 -3.979 0.297 1.00 0.00 O ATOM 307 CB VAL A 23 -9.166 -1.376 -1.435 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.639 -1.748 -1.372 1.00 0.00 C ATOM 309 CG2 VAL A 23 -8.991 0.069 -1.877 1.00 0.00 C ATOM 0 H VAL A 23 -6.712 -2.096 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.714 -0.764 0.584 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.685 -2.019 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.099 -1.578 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.737 -2.800 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.138 -1.133 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.474 0.215 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.445 0.732 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.929 0.297 -1.964 1.00 0.00 H new ATOM 319 N ASP A 24 -10.088 -2.741 1.359 1.00 0.00 N ATOM 320 CA ASP A 24 -10.712 -3.885 2.013 1.00 0.00 C ATOM 321 C ASP A 24 -11.763 -4.522 1.108 1.00 0.00 C ATOM 322 O ASP A 24 -12.447 -3.846 0.338 1.00 0.00 O ATOM 323 CB ASP A 24 -11.352 -3.458 3.334 1.00 0.00 C ATOM 324 CG ASP A 24 -10.367 -3.475 4.487 1.00 0.00 C ATOM 325 OD1 ASP A 24 -9.254 -2.932 4.325 1.00 0.00 O ATOM 326 OD2 ASP A 24 -10.709 -4.032 5.551 1.00 0.00 O ATOM 0 H ASP A 24 -10.519 -1.843 1.578 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.936 -4.623 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.764 -2.455 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.185 -4.122 3.562 1.00 0.00 H new ATOM 331 N PRO A 25 -11.894 -5.853 1.199 1.00 0.00 N ATOM 332 CA PRO A 25 -12.859 -6.611 0.395 1.00 0.00 C ATOM 333 C PRO A 25 -14.300 -6.341 0.814 1.00 0.00 C ATOM 334 O PRO A 25 -15.239 -6.835 0.191 1.00 0.00 O ATOM 335 CB PRO A 25 -12.485 -8.069 0.673 1.00 0.00 C ATOM 336 CG PRO A 25 -11.827 -8.043 2.010 1.00 0.00 C ATOM 337 CD PRO A 25 -11.112 -6.723 2.094 1.00 0.00 C ATOM 0 HA PRO A 25 -12.814 -6.339 -0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.367 -8.710 0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.813 -8.458 -0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.562 -8.140 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.128 -8.873 2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.096 -6.339 3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.075 -6.806 1.768 1.00 0.00 H new ATOM 345 N GLU A 26 -14.467 -5.554 1.872 1.00 0.00 N ATOM 346 CA GLU A 26 -15.795 -5.220 2.373 1.00 0.00 C ATOM 347 C GLU A 26 -16.232 -3.843 1.881 1.00 0.00 C ATOM 348 O GLU A 26 -17.417 -3.510 1.903 1.00 0.00 O ATOM 349 CB GLU A 26 -15.812 -5.256 3.902 1.00 0.00 C ATOM 350 CG GLU A 26 -15.379 -6.591 4.485 1.00 0.00 C ATOM 351 CD GLU A 26 -15.741 -6.733 5.950 1.00 0.00 C ATOM 352 OE1 GLU A 26 -15.238 -5.933 6.766 1.00 0.00 O ATOM 353 OE2 GLU A 26 -16.528 -7.645 6.281 1.00 0.00 O ATOM 0 H GLU A 26 -13.700 -5.136 2.398 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.496 -5.963 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.156 -4.473 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.819 -5.026 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.845 -7.398 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.301 -6.701 4.369 1.00 0.00 H new ATOM 360 N HIS A 27 -15.265 -3.046 1.437 1.00 0.00 N ATOM 361 CA HIS A 27 -15.549 -1.705 0.939 1.00 0.00 C ATOM 362 C HIS A 27 -14.425 -1.213 0.031 1.00 0.00 C ATOM 363 O HIS A 27 -13.254 -1.243 0.406 1.00 0.00 O ATOM 364 CB HIS A 27 -15.738 -0.734 2.105 1.00 0.00 C ATOM 365 CG HIS A 27 -16.667 0.399 1.796 1.00 0.00 C ATOM 366 ND1 HIS A 27 -16.855 1.104 0.656 1.00 0.00 N flip ATOM 367 CD2 HIS A 27 -17.540 0.930 2.722 1.00 0.00 C flip ATOM 368 CE1 HIS A 27 -17.829 2.038 0.911 1.00 0.00 C flip ATOM 369 NE2 HIS A 27 -18.226 1.912 2.165 1.00 0.00 N flip ATOM 0 H HIS A 27 -14.279 -3.305 1.412 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.470 -1.748 0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.121 -1.283 2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.767 -0.329 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.646 0.595 3.743 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -18.209 2.758 0.202 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -18.940 2.477 2.625 1.00 0.00 H new ATOM 378 N GLN A 28 -14.791 -0.763 -1.165 1.00 0.00 N ATOM 379 CA GLN A 28 -13.814 -0.267 -2.126 1.00 0.00 C ATOM 380 C GLN A 28 -13.527 1.213 -1.897 1.00 0.00 C ATOM 381 O GLN A 28 -12.917 1.875 -2.737 1.00 0.00 O ATOM 382 CB GLN A 28 -14.315 -0.486 -3.555 1.00 0.00 C ATOM 383 CG GLN A 28 -14.359 -1.949 -3.966 1.00 0.00 C ATOM 384 CD GLN A 28 -15.688 -2.605 -3.647 1.00 0.00 C ATOM 385 OE1 GLN A 28 -16.750 -2.079 -3.981 1.00 0.00 O ATOM 386 NE2 GLN A 28 -15.636 -3.762 -2.997 1.00 0.00 N ATOM 0 H GLN A 28 -15.757 -0.732 -1.491 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.888 -0.824 -1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.314 -0.060 -3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.669 0.058 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.167 -2.028 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.560 -2.489 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.734 -4.162 -2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.498 -4.250 -2.755 1.00 0.00 H new ATOM 395 N SER A 29 -13.971 1.727 -0.754 1.00 0.00 N ATOM 396 CA SER A 29 -13.766 3.130 -0.416 1.00 0.00 C ATOM 397 C SER A 29 -13.117 3.269 0.957 1.00 0.00 C ATOM 398 O SER A 29 -13.069 4.359 1.527 1.00 0.00 O ATOM 399 CB SER A 29 -15.098 3.883 -0.442 1.00 0.00 C ATOM 400 OG SER A 29 -15.542 4.088 -1.772 1.00 0.00 O ATOM 0 H SER A 29 -14.475 1.192 -0.047 1.00 0.00 H new ATOM 0 HA SER A 29 -13.097 3.563 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.849 3.320 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.986 4.844 0.060 1.00 0.00 H new ATOM 0 HG SER A 29 -16.396 4.569 -1.761 1.00 0.00 H new ATOM 406 N VAL A 30 -12.618 2.155 1.484 1.00 0.00 N ATOM 407 CA VAL A 30 -11.971 2.151 2.791 1.00 0.00 C ATOM 408 C VAL A 30 -10.517 1.704 2.682 1.00 0.00 C ATOM 409 O VAL A 30 -10.226 0.509 2.628 1.00 0.00 O ATOM 410 CB VAL A 30 -12.707 1.227 3.779 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.857 0.982 5.016 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.056 1.821 4.159 1.00 0.00 C ATOM 0 H VAL A 30 -12.649 1.244 1.026 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.008 3.174 3.166 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.881 0.268 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.394 0.327 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.918 0.511 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.649 1.932 5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.563 1.155 4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.906 2.793 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.666 1.940 3.264 1.00 0.00 H new ATOM 422 N TYR A 31 -9.608 2.672 2.651 1.00 0.00 N ATOM 423 CA TYR A 31 -8.183 2.379 2.547 1.00 0.00 C ATOM 424 C TYR A 31 -7.559 2.210 3.929 1.00 0.00 C ATOM 425 O TYR A 31 -7.425 3.174 4.684 1.00 0.00 O ATOM 426 CB TYR A 31 -7.466 3.495 1.785 1.00 0.00 C ATOM 427 CG TYR A 31 -7.989 3.702 0.381 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.765 2.755 -0.611 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.707 4.844 0.047 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.240 2.941 -1.895 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.187 5.037 -1.234 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.950 4.083 -2.202 1.00 0.00 C ATOM 433 OH TYR A 31 -9.426 4.270 -3.479 1.00 0.00 O ATOM 0 H TYR A 31 -9.832 3.666 2.696 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.070 1.443 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.566 4.426 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.402 3.265 1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.211 1.859 -0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.893 5.594 0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.056 2.196 -2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.745 5.930 -1.476 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.905 5.124 -3.528 1.00 0.00 H new ATOM 443 N CYS A 32 -7.179 0.979 4.252 1.00 0.00 N ATOM 444 CA CYS A 32 -6.569 0.681 5.543 1.00 0.00 C ATOM 445 C CYS A 32 -5.076 0.413 5.390 1.00 0.00 C ATOM 446 O CYS A 32 -4.605 0.061 4.308 1.00 0.00 O ATOM 447 CB CYS A 32 -7.253 -0.525 6.188 1.00 0.00 C ATOM 448 SG CYS A 32 -7.075 -0.602 7.985 1.00 0.00 S ATOM 0 H CYS A 32 -7.282 0.171 3.638 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.699 1.550 6.188 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.314 -0.503 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.843 -1.437 5.754 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.689 -1.655 8.437 1.00 0.00 H new ATOM 454 N VAL A 33 -4.334 0.583 6.480 1.00 0.00 N ATOM 455 CA VAL A 33 -2.893 0.360 6.467 1.00 0.00 C ATOM 456 C VAL A 33 -2.565 -1.121 6.619 1.00 0.00 C ATOM 457 O VAL A 33 -3.022 -1.776 7.556 1.00 0.00 O ATOM 458 CB VAL A 33 -2.193 1.148 7.590 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.904 0.932 8.917 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.729 0.747 7.689 1.00 0.00 C ATOM 0 H VAL A 33 -4.707 0.875 7.383 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.527 0.713 5.503 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.240 2.210 7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.395 1.496 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.936 1.273 8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.891 -0.129 9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.250 1.314 8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.658 -0.319 7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.229 0.958 6.744 1.00 0.00 H new ATOM 470 N LEU A 34 -1.770 -1.643 5.691 1.00 0.00 N ATOM 471 CA LEU A 34 -1.379 -3.048 5.722 1.00 0.00 C ATOM 472 C LEU A 34 0.139 -3.192 5.674 1.00 0.00 C ATOM 473 O LEU A 34 0.855 -2.236 5.374 1.00 0.00 O ATOM 474 CB LEU A 34 -2.011 -3.799 4.549 1.00 0.00 C ATOM 475 CG LEU A 34 -3.489 -3.509 4.284 1.00 0.00 C ATOM 476 CD1 LEU A 34 -3.807 -3.666 2.805 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.371 -4.423 5.121 1.00 0.00 C ATOM 0 H LEU A 34 -1.384 -1.115 4.908 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.737 -3.479 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.448 -3.563 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.897 -4.869 4.725 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.694 -2.478 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.863 -3.456 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.201 -2.969 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.585 -4.686 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.419 -4.202 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.164 -5.462 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.163 -4.261 6.179 1.00 0.00 H new ATOM 489 N THR A 35 0.624 -4.394 5.970 1.00 0.00 N ATOM 490 CA THR A 35 2.056 -4.664 5.960 1.00 0.00 C ATOM 491 C THR A 35 2.355 -6.021 5.334 1.00 0.00 C ATOM 492 O THR A 35 1.821 -7.045 5.762 1.00 0.00 O ATOM 493 CB THR A 35 2.644 -4.626 7.383 1.00 0.00 C ATOM 494 OG1 THR A 35 2.290 -3.398 8.027 1.00 0.00 O ATOM 495 CG2 THR A 35 4.159 -4.768 7.346 1.00 0.00 C ATOM 0 H THR A 35 0.045 -5.196 6.220 1.00 0.00 H new ATOM 0 HA THR A 35 2.522 -3.881 5.362 1.00 0.00 H new ATOM 0 HB THR A 35 2.230 -5.462 7.946 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.666 -3.383 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.552 -4.738 8.362 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.424 -5.718 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.587 -3.949 6.767 1.00 0.00 H new ATOM 503 N VAL A 36 3.213 -6.024 4.318 1.00 0.00 N ATOM 504 CA VAL A 36 3.584 -7.256 3.635 1.00 0.00 C ATOM 505 C VAL A 36 4.078 -8.306 4.624 1.00 0.00 C ATOM 506 O VAL A 36 5.167 -8.184 5.183 1.00 0.00 O ATOM 507 CB VAL A 36 4.679 -7.005 2.581 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.885 -8.242 1.719 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.326 -5.800 1.722 1.00 0.00 C ATOM 0 H VAL A 36 3.664 -5.186 3.951 1.00 0.00 H new ATOM 0 HA VAL A 36 2.687 -7.624 3.137 1.00 0.00 H new ATOM 0 HB VAL A 36 5.614 -6.792 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.662 -8.045 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.187 -9.079 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.954 -8.489 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.111 -5.638 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.380 -5.981 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.235 -4.917 2.354 1.00 0.00 H new ATOM 519 N ALA A 37 3.268 -9.339 4.835 1.00 0.00 N ATOM 520 CA ALA A 37 3.623 -10.413 5.754 1.00 0.00 C ATOM 521 C ALA A 37 4.192 -11.612 5.005 1.00 0.00 C ATOM 522 O ALA A 37 5.066 -12.315 5.512 1.00 0.00 O ATOM 523 CB ALA A 37 2.411 -10.827 6.575 1.00 0.00 C ATOM 0 H ALA A 37 2.362 -9.454 4.382 1.00 0.00 H new ATOM 0 HA ALA A 37 4.395 -10.040 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.691 -11.630 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.051 -9.973 7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.622 -11.175 5.909 1.00 0.00 H new ATOM 529 N GLU A 38 3.691 -11.841 3.795 1.00 0.00 N ATOM 530 CA GLU A 38 4.149 -12.957 2.977 1.00 0.00 C ATOM 531 C GLU A 38 4.017 -12.634 1.492 1.00 0.00 C ATOM 532 O GLU A 38 3.225 -11.777 1.099 1.00 0.00 O ATOM 533 CB GLU A 38 3.353 -14.222 3.308 1.00 0.00 C ATOM 534 CG GLU A 38 4.056 -15.507 2.905 1.00 0.00 C ATOM 535 CD GLU A 38 3.536 -16.717 3.656 1.00 0.00 C ATOM 536 OE1 GLU A 38 3.273 -16.592 4.871 1.00 0.00 O ATOM 537 OE2 GLU A 38 3.393 -17.788 3.031 1.00 0.00 O ATOM 0 H GLU A 38 2.968 -11.268 3.360 1.00 0.00 H new ATOM 0 HA GLU A 38 5.202 -13.130 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.156 -14.247 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.386 -14.174 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.928 -15.666 1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.126 -15.404 3.086 1.00 0.00 H new ATOM 544 N VAL A 39 4.800 -13.326 0.669 1.00 0.00 N ATOM 545 CA VAL A 39 4.771 -13.114 -0.773 1.00 0.00 C ATOM 546 C VAL A 39 5.039 -14.412 -1.525 1.00 0.00 C ATOM 547 O VAL A 39 6.007 -15.118 -1.240 1.00 0.00 O ATOM 548 CB VAL A 39 5.806 -12.059 -1.206 1.00 0.00 C ATOM 549 CG1 VAL A 39 5.643 -11.724 -2.681 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.683 -10.808 -0.349 1.00 0.00 C ATOM 0 H VAL A 39 5.462 -14.038 0.977 1.00 0.00 H new ATOM 0 HA VAL A 39 3.772 -12.755 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 39 6.804 -12.474 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.383 -10.977 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.787 -12.625 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.642 -11.329 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.422 -10.074 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.683 -10.388 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.856 -11.065 0.696 1.00 0.00 H new ATOM 560 N CYS A 40 4.176 -14.721 -2.486 1.00 0.00 N ATOM 561 CA CYS A 40 4.319 -15.937 -3.280 1.00 0.00 C ATOM 562 C CYS A 40 3.510 -15.842 -4.570 1.00 0.00 C ATOM 563 O CYS A 40 2.448 -15.221 -4.605 1.00 0.00 O ATOM 564 CB CYS A 40 3.871 -17.155 -2.472 1.00 0.00 C ATOM 565 SG CYS A 40 4.564 -18.721 -3.051 1.00 0.00 S ATOM 0 H CYS A 40 3.370 -14.147 -2.735 1.00 0.00 H new ATOM 0 HA CYS A 40 5.372 -16.050 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.152 -17.009 -1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.783 -17.218 -2.503 1.00 0.00 H new ATOM 0 HG CYS A 40 4.128 -19.691 -2.303 1.00 0.00 H new ATOM 571 N GLY A 41 4.021 -16.460 -5.630 1.00 0.00 N ATOM 572 CA GLY A 41 3.334 -16.432 -6.908 1.00 0.00 C ATOM 573 C GLY A 41 3.019 -15.022 -7.366 1.00 0.00 C ATOM 574 O GLY A 41 3.772 -14.088 -7.086 1.00 0.00 O ATOM 0 H GLY A 41 4.899 -16.980 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.951 -16.926 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.408 -17.001 -6.832 1.00 0.00 H new ATOM 578 N TYR A 42 1.906 -14.866 -8.073 1.00 0.00 N ATOM 579 CA TYR A 42 1.495 -13.560 -8.575 1.00 0.00 C ATOM 580 C TYR A 42 0.565 -12.864 -7.585 1.00 0.00 C ATOM 581 O TYR A 42 -0.248 -12.023 -7.968 1.00 0.00 O ATOM 582 CB TYR A 42 0.801 -13.706 -9.929 1.00 0.00 C ATOM 583 CG TYR A 42 0.916 -12.478 -10.805 1.00 0.00 C ATOM 584 CD1 TYR A 42 1.988 -12.320 -11.675 1.00 0.00 C ATOM 585 CD2 TYR A 42 -0.045 -11.476 -10.760 1.00 0.00 C ATOM 586 CE1 TYR A 42 2.098 -11.200 -12.476 1.00 0.00 C ATOM 587 CE2 TYR A 42 0.057 -10.353 -11.558 1.00 0.00 C ATOM 588 CZ TYR A 42 1.130 -10.219 -12.415 1.00 0.00 C ATOM 589 OH TYR A 42 1.235 -9.102 -13.210 1.00 0.00 O ATOM 0 H TYR A 42 1.271 -15.628 -8.312 1.00 0.00 H new ATOM 0 HA TYR A 42 2.389 -12.948 -8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.228 -14.559 -10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.254 -13.928 -9.765 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.748 -13.086 -11.726 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.886 -11.577 -10.090 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.938 -11.093 -13.147 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.699 -9.584 -11.511 1.00 0.00 H new ATOM 0 HH TYR A 42 0.471 -8.511 -13.046 1.00 0.00 H new ATOM 599 N ARG A 43 0.692 -13.222 -6.312 1.00 0.00 N ATOM 600 CA ARG A 43 -0.137 -12.633 -5.267 1.00 0.00 C ATOM 601 C ARG A 43 0.672 -12.412 -3.992 1.00 0.00 C ATOM 602 O ARG A 43 1.560 -13.200 -3.664 1.00 0.00 O ATOM 603 CB ARG A 43 -1.338 -13.533 -4.972 1.00 0.00 C ATOM 604 CG ARG A 43 -2.545 -13.246 -5.850 1.00 0.00 C ATOM 605 CD ARG A 43 -3.721 -14.140 -5.492 1.00 0.00 C ATOM 606 NE ARG A 43 -4.702 -14.213 -6.571 1.00 0.00 N ATOM 607 CZ ARG A 43 -5.673 -15.118 -6.621 1.00 0.00 C ATOM 608 NH1 ARG A 43 -5.793 -16.021 -5.658 1.00 0.00 N ATOM 609 NH2 ARG A 43 -6.528 -15.120 -7.636 1.00 0.00 N ATOM 0 H ARG A 43 1.361 -13.917 -5.979 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.494 -11.667 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.042 -14.574 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.623 -13.413 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.835 -12.201 -5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.279 -13.395 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.358 -15.142 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.202 -13.762 -4.590 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.638 -13.532 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.139 -16.022 -4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.540 -16.715 -5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.440 -14.426 -8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.273 -15.815 -7.674 1.00 0.00 H new ATOM 623 N ILE A 44 0.358 -11.337 -3.278 1.00 0.00 N ATOM 624 CA ILE A 44 1.055 -11.013 -2.039 1.00 0.00 C ATOM 625 C ILE A 44 0.097 -11.018 -0.852 1.00 0.00 C ATOM 626 O ILE A 44 -1.052 -10.592 -0.965 1.00 0.00 O ATOM 627 CB ILE A 44 1.743 -9.638 -2.123 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.739 -8.566 -2.554 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.917 -9.691 -3.090 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.279 -7.157 -2.451 1.00 0.00 C ATOM 0 H ILE A 44 -0.374 -10.675 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 44 1.814 -11.782 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 44 2.123 -9.377 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.436 -8.756 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.156 -8.649 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.393 -8.712 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.640 -10.429 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.560 -9.970 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.514 -6.450 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.555 -6.948 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.157 -7.056 -3.089 1.00 0.00 H new ATOM 642 N LYS A 45 0.580 -11.501 0.288 1.00 0.00 N ATOM 643 CA LYS A 45 -0.231 -11.559 1.498 1.00 0.00 C ATOM 644 C LYS A 45 -0.405 -10.170 2.104 1.00 0.00 C ATOM 645 O LYS A 45 0.558 -9.413 2.235 1.00 0.00 O ATOM 646 CB LYS A 45 0.412 -12.497 2.523 1.00 0.00 C ATOM 647 CG LYS A 45 -0.502 -12.848 3.684 1.00 0.00 C ATOM 648 CD LYS A 45 -0.091 -14.154 4.342 1.00 0.00 C ATOM 649 CE LYS A 45 -1.210 -14.721 5.202 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.893 -16.091 5.693 1.00 0.00 N ATOM 0 H LYS A 45 1.529 -11.858 0.399 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.214 -11.944 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.717 -13.415 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.317 -12.031 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.480 -12.045 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.529 -12.926 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.183 -14.879 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.794 -13.990 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.384 -14.062 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.134 -14.747 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.680 -16.442 6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.752 -16.726 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.025 -16.062 6.265 1.00 0.00 H new ATOM 664 N LEU A 46 -1.638 -9.841 2.473 1.00 0.00 N ATOM 665 CA LEU A 46 -1.939 -8.543 3.066 1.00 0.00 C ATOM 666 C LEU A 46 -2.354 -8.695 4.526 1.00 0.00 C ATOM 667 O LEU A 46 -3.373 -9.315 4.832 1.00 0.00 O ATOM 668 CB LEU A 46 -3.048 -7.844 2.279 1.00 0.00 C ATOM 669 CG LEU A 46 -2.603 -7.056 1.047 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.643 -5.945 1.443 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.958 -7.981 0.026 1.00 0.00 C ATOM 0 H LEU A 46 -2.446 -10.456 2.372 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.035 -7.935 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.771 -8.596 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.570 -7.163 2.952 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.484 -6.603 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.337 -5.395 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.139 -5.266 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.765 -6.377 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.648 -7.403 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.087 -8.463 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.676 -8.741 -0.281 1.00 0.00 H new ATOM 683 N HIS A 47 -1.559 -8.122 5.425 1.00 0.00 N ATOM 684 CA HIS A 47 -1.846 -8.191 6.853 1.00 0.00 C ATOM 685 C HIS A 47 -2.418 -6.869 7.357 1.00 0.00 C ATOM 686 O HIS A 47 -2.084 -5.801 6.845 1.00 0.00 O ATOM 687 CB HIS A 47 -0.578 -8.541 7.633 1.00 0.00 C ATOM 688 CG HIS A 47 -0.707 -8.334 9.111 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.270 -9.267 9.955 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.340 -7.292 9.893 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.245 -8.808 11.194 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.686 -7.611 11.184 1.00 0.00 N ATOM 0 H HIS A 47 -0.712 -7.605 5.189 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.589 -8.972 7.012 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.320 -9.582 7.442 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.247 -7.934 7.260 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.136 -6.380 9.564 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.618 -9.324 12.066 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.536 -7.020 12.002 1.00 0.00 H new ATOM 701 N PHE A 48 -3.283 -6.950 8.363 1.00 0.00 N ATOM 702 CA PHE A 48 -3.903 -5.760 8.935 1.00 0.00 C ATOM 703 C PHE A 48 -3.154 -5.303 10.183 1.00 0.00 C ATOM 704 O PHE A 48 -3.073 -6.030 11.173 1.00 0.00 O ATOM 705 CB PHE A 48 -5.368 -6.039 9.279 1.00 0.00 C ATOM 706 CG PHE A 48 -6.283 -5.986 8.089 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.712 -4.770 7.582 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.714 -7.152 7.478 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.555 -4.719 6.488 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.557 -7.107 6.384 1.00 0.00 C ATOM 711 CZ PHE A 48 -7.977 -5.889 5.887 1.00 0.00 C ATOM 0 H PHE A 48 -3.570 -7.826 8.799 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.856 -4.963 8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.443 -7.023 9.742 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.704 -5.312 10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.384 -3.852 8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.387 -8.107 7.861 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.884 -3.765 6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.887 -8.024 5.918 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.634 -5.851 5.031 1.00 0.00 H new ATOM 721 N ASP A 49 -2.607 -4.094 10.127 1.00 0.00 N ATOM 722 CA ASP A 49 -1.864 -3.538 11.252 1.00 0.00 C ATOM 723 C ASP A 49 -2.708 -3.556 12.523 1.00 0.00 C ATOM 724 O ASP A 49 -3.686 -2.818 12.641 1.00 0.00 O ATOM 725 CB ASP A 49 -1.419 -2.108 10.941 1.00 0.00 C ATOM 726 CG ASP A 49 -0.284 -1.647 11.834 1.00 0.00 C ATOM 727 OD1 ASP A 49 0.608 -2.469 12.133 1.00 0.00 O ATOM 728 OD2 ASP A 49 -0.287 -0.464 12.234 1.00 0.00 O ATOM 0 H ASP A 49 -2.664 -3.480 9.315 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.982 -4.157 11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.105 -2.047 9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.267 -1.433 11.059 1.00 0.00 H new ATOM 733 N GLY A 50 -2.324 -4.405 13.471 1.00 0.00 N ATOM 734 CA GLY A 50 -3.057 -4.504 14.720 1.00 0.00 C ATOM 735 C GLY A 50 -3.918 -5.750 14.789 1.00 0.00 C ATOM 736 O GLY A 50 -3.659 -6.648 15.591 1.00 0.00 O ATOM 0 H GLY A 50 -1.518 -5.026 13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.353 -4.506 15.552 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.688 -3.623 14.838 1.00 0.00 H new ATOM 740 N TYR A 51 -4.945 -5.804 13.949 1.00 0.00 N ATOM 741 CA TYR A 51 -5.850 -6.947 13.921 1.00 0.00 C ATOM 742 C TYR A 51 -5.072 -8.256 13.824 1.00 0.00 C ATOM 743 O TYR A 51 -3.856 -8.255 13.632 1.00 0.00 O ATOM 744 CB TYR A 51 -6.819 -6.829 12.743 1.00 0.00 C ATOM 745 CG TYR A 51 -7.730 -5.625 12.827 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.305 -4.376 12.393 1.00 0.00 C ATOM 747 CD2 TYR A 51 -9.016 -5.737 13.341 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.133 -3.273 12.468 1.00 0.00 C ATOM 749 CE2 TYR A 51 -9.852 -4.640 13.419 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.406 -3.410 12.982 1.00 0.00 C ATOM 751 OH TYR A 51 -10.235 -2.315 13.058 1.00 0.00 O ATOM 0 H TYR A 51 -5.172 -5.070 13.278 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.418 -6.951 14.851 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.247 -6.777 11.817 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.428 -7.732 12.692 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.309 -4.265 11.990 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.368 -6.698 13.685 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.786 -2.309 12.126 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.849 -4.745 13.820 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.096 -2.582 13.442 1.00 0.00 H new ATOM 761 N SER A 52 -5.783 -9.371 13.958 1.00 0.00 N ATOM 762 CA SER A 52 -5.160 -10.688 13.889 1.00 0.00 C ATOM 763 C SER A 52 -4.772 -11.031 12.453 1.00 0.00 C ATOM 764 O SER A 52 -5.328 -10.483 11.501 1.00 0.00 O ATOM 765 CB SER A 52 -6.108 -11.753 14.442 1.00 0.00 C ATOM 766 OG SER A 52 -5.387 -12.851 14.973 1.00 0.00 O ATOM 0 H SER A 52 -6.791 -9.389 14.115 1.00 0.00 H new ATOM 0 HA SER A 52 -4.255 -10.667 14.496 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.737 -11.317 15.218 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.773 -12.099 13.651 1.00 0.00 H new ATOM 0 HG SER A 52 -6.015 -13.517 15.322 1.00 0.00 H new ATOM 772 N ASP A 53 -3.816 -11.941 12.307 1.00 0.00 N ATOM 773 CA ASP A 53 -3.354 -12.359 10.989 1.00 0.00 C ATOM 774 C ASP A 53 -4.388 -13.249 10.307 1.00 0.00 C ATOM 775 O ASP A 53 -4.629 -13.130 9.105 1.00 0.00 O ATOM 776 CB ASP A 53 -2.021 -13.101 11.104 1.00 0.00 C ATOM 777 CG ASP A 53 -2.045 -14.170 12.178 1.00 0.00 C ATOM 778 OD1 ASP A 53 -1.911 -13.819 13.369 1.00 0.00 O ATOM 779 OD2 ASP A 53 -2.197 -15.359 11.828 1.00 0.00 O ATOM 0 H ASP A 53 -3.346 -12.403 13.085 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.213 -11.466 10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.779 -13.559 10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.228 -12.386 11.325 1.00 0.00 H new ATOM 784 N CYS A 54 -4.996 -14.141 11.082 1.00 0.00 N ATOM 785 CA CYS A 54 -6.004 -15.053 10.552 1.00 0.00 C ATOM 786 C CYS A 54 -6.929 -14.334 9.576 1.00 0.00 C ATOM 787 O CYS A 54 -7.507 -14.952 8.682 1.00 0.00 O ATOM 788 CB CYS A 54 -6.820 -15.662 11.693 1.00 0.00 C ATOM 789 SG CYS A 54 -7.840 -17.071 11.200 1.00 0.00 S ATOM 0 H CYS A 54 -4.809 -14.252 12.078 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.491 -15.851 10.016 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.140 -15.979 12.483 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.464 -14.891 12.117 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.491 -17.518 12.233 1.00 0.00 H new ATOM 795 N TYR A 55 -7.066 -13.025 9.755 1.00 0.00 N ATOM 796 CA TYR A 55 -7.924 -12.221 8.892 1.00 0.00 C ATOM 797 C TYR A 55 -7.116 -11.565 7.778 1.00 0.00 C ATOM 798 O TYR A 55 -7.372 -10.421 7.400 1.00 0.00 O ATOM 799 CB TYR A 55 -8.647 -11.150 9.712 1.00 0.00 C ATOM 800 CG TYR A 55 -9.464 -11.710 10.854 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.645 -12.402 10.616 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.054 -11.549 12.172 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.395 -12.915 11.656 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.797 -12.060 13.219 1.00 0.00 C ATOM 805 CZ TYR A 55 -10.967 -12.741 12.956 1.00 0.00 C ATOM 806 OH TYR A 55 -11.710 -13.252 13.995 1.00 0.00 O ATOM 0 H TYR A 55 -6.594 -12.498 10.490 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.662 -12.883 8.439 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.911 -10.452 10.111 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.302 -10.580 9.053 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.983 -12.541 9.600 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.139 -11.015 12.382 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.311 -13.449 11.453 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.463 -11.927 14.237 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.270 -13.044 14.845 1.00 0.00 H new ATOM 816 N ASP A 56 -6.139 -12.298 7.255 1.00 0.00 N ATOM 817 CA ASP A 56 -5.292 -11.789 6.181 1.00 0.00 C ATOM 818 C ASP A 56 -5.757 -12.316 4.827 1.00 0.00 C ATOM 819 O ASP A 56 -6.163 -13.472 4.705 1.00 0.00 O ATOM 820 CB ASP A 56 -3.834 -12.183 6.423 1.00 0.00 C ATOM 821 CG ASP A 56 -3.145 -11.270 7.418 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.853 -10.615 8.212 1.00 0.00 O ATOM 823 OD2 ASP A 56 -1.898 -11.212 7.404 1.00 0.00 O ATOM 0 H ASP A 56 -5.914 -13.246 7.557 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.370 -10.702 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.794 -13.209 6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.293 -12.159 5.477 1.00 0.00 H new ATOM 828 N PHE A 57 -5.694 -11.460 3.812 1.00 0.00 N ATOM 829 CA PHE A 57 -6.111 -11.839 2.467 1.00 0.00 C ATOM 830 C PHE A 57 -4.999 -11.568 1.457 1.00 0.00 C ATOM 831 O PHE A 57 -4.093 -10.774 1.714 1.00 0.00 O ATOM 832 CB PHE A 57 -7.375 -11.075 2.068 1.00 0.00 C ATOM 833 CG PHE A 57 -7.194 -9.584 2.047 1.00 0.00 C ATOM 834 CD1 PHE A 57 -7.023 -8.877 3.226 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.193 -8.890 0.848 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.857 -7.506 3.209 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.026 -7.518 0.825 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.857 -6.825 2.007 1.00 0.00 C ATOM 0 H PHE A 57 -5.359 -10.500 3.895 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.326 -12.908 2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.694 -11.408 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.176 -11.326 2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.019 -9.404 4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.324 -9.427 -0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.727 -6.966 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -7.028 -6.989 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.725 -5.753 1.992 1.00 0.00 H new ATOM 848 N TRP A 58 -5.075 -12.232 0.310 1.00 0.00 N ATOM 849 CA TRP A 58 -4.075 -12.064 -0.738 1.00 0.00 C ATOM 850 C TRP A 58 -4.633 -11.243 -1.896 1.00 0.00 C ATOM 851 O TRP A 58 -5.681 -11.569 -2.453 1.00 0.00 O ATOM 852 CB TRP A 58 -3.604 -13.428 -1.246 1.00 0.00 C ATOM 853 CG TRP A 58 -2.833 -14.207 -0.224 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.256 -14.566 1.024 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.504 -14.723 -0.362 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.270 -15.273 1.670 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.186 -15.384 0.840 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.553 -14.693 -1.386 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.042 -16.006 1.045 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.666 -15.310 -1.181 1.00 0.00 C ATOM 861 CH2 TRP A 58 0.955 -15.961 0.026 1.00 0.00 C ATOM 0 H TRP A 58 -5.819 -12.892 0.082 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.226 -11.529 -0.313 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.471 -14.010 -1.559 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.981 -13.284 -2.129 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.223 -14.329 1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.335 -15.653 2.614 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.767 -14.196 -2.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.267 -16.507 1.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.409 -15.290 -1.964 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.916 -16.436 0.155 1.00 0.00 H new ATOM 872 N VAL A 59 -3.926 -10.175 -2.253 1.00 0.00 N ATOM 873 CA VAL A 59 -4.351 -9.308 -3.345 1.00 0.00 C ATOM 874 C VAL A 59 -3.434 -9.457 -4.554 1.00 0.00 C ATOM 875 O VAL A 59 -2.454 -10.201 -4.514 1.00 0.00 O ATOM 876 CB VAL A 59 -4.374 -7.830 -2.912 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.242 -7.649 -1.676 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.961 -7.327 -2.659 1.00 0.00 C ATOM 0 H VAL A 59 -3.057 -9.890 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.361 -9.615 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.806 -7.240 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.246 -6.599 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.261 -7.968 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.842 -8.250 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.996 -6.281 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.500 -7.920 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.373 -7.419 -3.572 1.00 0.00 H new ATOM 888 N ASN A 60 -3.758 -8.745 -5.628 1.00 0.00 N ATOM 889 CA ASN A 60 -2.963 -8.798 -6.849 1.00 0.00 C ATOM 890 C ASN A 60 -1.667 -8.010 -6.690 1.00 0.00 C ATOM 891 O ASN A 60 -1.687 -6.816 -6.393 1.00 0.00 O ATOM 892 CB ASN A 60 -3.766 -8.247 -8.030 1.00 0.00 C ATOM 893 CG ASN A 60 -5.196 -8.751 -8.041 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.935 -8.581 -7.071 1.00 0.00 O ATOM 895 ND2 ASN A 60 -5.594 -9.377 -9.143 1.00 0.00 N ATOM 0 H ASN A 60 -4.566 -8.124 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.712 -9.841 -7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.768 -7.158 -7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.277 -8.530 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.545 -9.739 -9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.948 -9.496 -9.924 1.00 0.00 H new ATOM 902 N ALA A 61 -0.541 -8.687 -6.889 1.00 0.00 N ATOM 903 CA ALA A 61 0.765 -8.049 -6.770 1.00 0.00 C ATOM 904 C ALA A 61 0.771 -6.681 -7.443 1.00 0.00 C ATOM 905 O ALA A 61 1.425 -5.750 -6.971 1.00 0.00 O ATOM 906 CB ALA A 61 1.843 -8.940 -7.370 1.00 0.00 C ATOM 0 H ALA A 61 -0.506 -9.677 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 61 0.977 -7.904 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.813 -8.452 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.863 -9.893 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.626 -9.114 -8.424 1.00 0.00 H new ATOM 912 N ASP A 62 0.041 -6.566 -8.547 1.00 0.00 N ATOM 913 CA ASP A 62 -0.038 -5.310 -9.284 1.00 0.00 C ATOM 914 C ASP A 62 -1.466 -4.776 -9.296 1.00 0.00 C ATOM 915 O ASP A 62 -1.991 -4.402 -10.344 1.00 0.00 O ATOM 916 CB ASP A 62 0.459 -5.504 -10.718 1.00 0.00 C ATOM 917 CG ASP A 62 0.437 -4.217 -11.517 1.00 0.00 C ATOM 918 OD1 ASP A 62 0.540 -3.134 -10.903 1.00 0.00 O ATOM 919 OD2 ASP A 62 0.317 -4.291 -12.758 1.00 0.00 O ATOM 0 H ASP A 62 -0.504 -7.327 -8.951 1.00 0.00 H new ATOM 0 HA ASP A 62 0.599 -4.582 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.475 -5.898 -10.697 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.161 -6.249 -11.217 1.00 0.00 H new ATOM 924 N ALA A 63 -2.090 -4.744 -8.123 1.00 0.00 N ATOM 925 CA ALA A 63 -3.458 -4.254 -7.998 1.00 0.00 C ATOM 926 C ALA A 63 -3.500 -2.730 -8.031 1.00 0.00 C ATOM 927 O ALA A 63 -2.521 -2.064 -7.694 1.00 0.00 O ATOM 928 CB ALA A 63 -4.089 -4.774 -6.715 1.00 0.00 C ATOM 0 H ALA A 63 -1.670 -5.051 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.030 -4.625 -8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.110 -4.401 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.101 -5.864 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.508 -4.431 -5.859 1.00 0.00 H new ATOM 934 N LEU A 64 -4.640 -2.184 -8.441 1.00 0.00 N ATOM 935 CA LEU A 64 -4.810 -0.737 -8.519 1.00 0.00 C ATOM 936 C LEU A 64 -5.395 -0.187 -7.222 1.00 0.00 C ATOM 937 O LEU A 64 -5.170 0.971 -6.870 1.00 0.00 O ATOM 938 CB LEU A 64 -5.716 -0.373 -9.696 1.00 0.00 C ATOM 939 CG LEU A 64 -5.273 -0.883 -11.068 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.367 -0.659 -12.100 1.00 0.00 C ATOM 941 CD2 LEU A 64 -3.983 -0.199 -11.498 1.00 0.00 C ATOM 0 H LEU A 64 -5.460 -2.721 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.829 -0.288 -8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.715 -0.759 -9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.797 0.713 -9.743 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.087 -1.954 -10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.033 -1.028 -13.070 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.267 -1.194 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.586 0.406 -12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.681 -0.573 -12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.144 0.878 -11.555 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.199 -0.411 -10.771 1.00 0.00 H new ATOM 953 N ASP A 65 -6.146 -1.025 -6.516 1.00 0.00 N ATOM 954 CA ASP A 65 -6.761 -0.623 -5.256 1.00 0.00 C ATOM 955 C ASP A 65 -5.698 -0.295 -4.212 1.00 0.00 C ATOM 956 O ASP A 65 -5.901 0.567 -3.356 1.00 0.00 O ATOM 957 CB ASP A 65 -7.678 -1.731 -4.736 1.00 0.00 C ATOM 958 CG ASP A 65 -8.298 -2.544 -5.856 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.571 -3.347 -6.478 1.00 0.00 O ATOM 960 OD2 ASP A 65 -9.508 -2.376 -6.113 1.00 0.00 O ATOM 0 H ASP A 65 -6.344 -1.986 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.353 0.273 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.109 -2.393 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.470 -1.289 -4.131 1.00 0.00 H new ATOM 965 N ILE A 66 -4.567 -0.987 -4.290 1.00 0.00 N ATOM 966 CA ILE A 66 -3.472 -0.768 -3.352 1.00 0.00 C ATOM 967 C ILE A 66 -2.665 0.470 -3.728 1.00 0.00 C ATOM 968 O ILE A 66 -2.699 0.922 -4.873 1.00 0.00 O ATOM 969 CB ILE A 66 -2.529 -1.984 -3.294 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.921 -2.252 -4.672 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.276 -3.210 -2.791 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.839 -3.309 -4.661 1.00 0.00 C ATOM 0 H ILE A 66 -4.384 -1.704 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.922 -0.621 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.720 -1.765 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.712 -2.561 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.506 -1.323 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.596 -4.061 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.665 -3.014 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.103 -3.434 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.454 -3.446 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.029 -2.993 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.253 -4.250 -4.300 1.00 0.00 H new ATOM 984 N HIS A 67 -1.937 1.013 -2.758 1.00 0.00 N ATOM 985 CA HIS A 67 -1.118 2.198 -2.987 1.00 0.00 C ATOM 986 C HIS A 67 0.026 2.271 -1.981 1.00 0.00 C ATOM 987 O HIS A 67 -0.057 1.745 -0.871 1.00 0.00 O ATOM 988 CB HIS A 67 -1.975 3.461 -2.897 1.00 0.00 C ATOM 989 CG HIS A 67 -2.840 3.686 -4.098 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.351 4.150 -5.301 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.169 3.506 -4.278 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.342 4.247 -6.169 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.457 3.862 -5.573 1.00 0.00 N ATOM 0 H HIS A 67 -1.897 0.651 -1.805 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.693 2.128 -3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.607 3.399 -2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.323 4.324 -2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.873 3.149 -3.541 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.256 4.584 -7.192 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.381 3.834 -6.004 1.00 0.00 H new ATOM 1002 N PRO A 68 1.120 2.938 -2.375 1.00 0.00 N ATOM 1003 CA PRO A 68 2.302 3.096 -1.522 1.00 0.00 C ATOM 1004 C PRO A 68 2.044 4.023 -0.340 1.00 0.00 C ATOM 1005 O PRO A 68 1.085 4.795 -0.341 1.00 0.00 O ATOM 1006 CB PRO A 68 3.341 3.708 -2.465 1.00 0.00 C ATOM 1007 CG PRO A 68 2.540 4.405 -3.510 1.00 0.00 C ATOM 1008 CD PRO A 68 1.289 3.590 -3.685 1.00 0.00 C ATOM 0 HA PRO A 68 2.614 2.150 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.994 4.403 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.980 2.940 -2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.302 5.424 -3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.095 4.474 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.433 4.217 -3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.394 2.859 -4.487 1.00 0.00 H new ATOM 1016 N VAL A 69 2.905 3.942 0.669 1.00 0.00 N ATOM 1017 CA VAL A 69 2.771 4.775 1.858 1.00 0.00 C ATOM 1018 C VAL A 69 2.704 6.253 1.489 1.00 0.00 C ATOM 1019 O VAL A 69 3.398 6.709 0.582 1.00 0.00 O ATOM 1020 CB VAL A 69 3.943 4.554 2.834 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.797 5.449 4.055 1.00 0.00 C ATOM 1022 CG2 VAL A 69 4.027 3.091 3.242 1.00 0.00 C ATOM 0 H VAL A 69 3.703 3.307 0.687 1.00 0.00 H new ATOM 0 HA VAL A 69 1.841 4.482 2.346 1.00 0.00 H new ATOM 0 HB VAL A 69 4.871 4.820 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.634 5.279 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.790 6.493 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.863 5.217 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.860 2.953 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.099 2.796 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.183 2.475 2.357 1.00 0.00 H new ATOM 1032 N GLY A 70 1.862 6.997 2.199 1.00 0.00 N ATOM 1033 CA GLY A 70 1.719 8.416 1.932 1.00 0.00 C ATOM 1034 C GLY A 70 0.900 8.692 0.686 1.00 0.00 C ATOM 1035 O GLY A 70 1.218 9.595 -0.086 1.00 0.00 O ATOM 0 H GLY A 70 1.276 6.642 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.246 8.898 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.707 8.863 1.820 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.156 7.910 0.490 1.00 0.00 N ATOM 1040 CA TRP A 71 -1.023 8.074 -0.672 1.00 0.00 C ATOM 1041 C TRP A 71 -2.199 8.989 -0.349 1.00 0.00 C ATOM 1042 O TRP A 71 -2.573 9.842 -1.154 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.534 6.714 -1.148 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.467 6.806 -2.317 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -2.125 6.822 -3.639 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.895 6.896 -2.269 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -3.255 6.917 -4.416 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.354 6.964 -3.599 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.831 6.925 -1.232 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.706 7.059 -3.916 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -6.173 7.020 -1.548 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.601 7.085 -2.881 1.00 0.00 C ATOM 0 H TRP A 71 -0.432 7.157 1.120 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.438 8.533 -1.469 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.683 6.089 -1.420 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.044 6.217 -0.323 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.115 6.768 -4.018 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.273 6.948 -5.435 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.511 6.874 -0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.037 7.110 -4.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.905 7.045 -0.754 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.657 7.157 -3.095 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.779 8.805 0.832 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.914 9.615 1.261 1.00 0.00 C ATOM 1065 C CYS A 72 -3.619 11.101 1.087 1.00 0.00 C ATOM 1066 O CYS A 72 -4.494 11.876 0.705 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.257 9.317 2.721 1.00 0.00 C ATOM 1068 SG CYS A 72 -2.894 9.610 3.873 1.00 0.00 S ATOM 0 H CYS A 72 -2.482 8.102 1.509 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.769 9.358 0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.107 9.932 3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.572 8.277 2.804 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.281 9.332 5.083 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.380 11.490 1.372 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.971 12.884 1.250 1.00 0.00 C ATOM 1076 C GLU A 73 -1.663 13.236 -0.203 1.00 0.00 C ATOM 1077 O GLU A 73 -1.846 14.376 -0.631 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.744 13.158 2.123 1.00 0.00 C ATOM 1079 CG GLU A 73 -0.660 14.590 2.622 1.00 0.00 C ATOM 1080 CD GLU A 73 0.361 14.762 3.730 1.00 0.00 C ATOM 1081 OE1 GLU A 73 1.465 14.189 3.616 1.00 0.00 O ATOM 1082 OE2 GLU A 73 0.056 15.471 4.712 1.00 0.00 O ATOM 0 H GLU A 73 -1.643 10.860 1.689 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.797 13.509 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.760 12.484 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.156 12.927 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.403 15.246 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.639 14.903 2.984 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.194 12.248 -0.958 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.861 12.449 -2.363 1.00 0.00 C ATOM 1091 C LYS A 74 -2.086 12.900 -3.153 1.00 0.00 C ATOM 1092 O LYS A 74 -2.017 13.846 -3.939 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.299 11.160 -2.965 1.00 0.00 C ATOM 1094 CG LYS A 74 -0.127 11.217 -4.473 1.00 0.00 C ATOM 1095 CD LYS A 74 1.231 11.779 -4.859 1.00 0.00 C ATOM 1096 CE LYS A 74 1.504 11.605 -6.345 1.00 0.00 C ATOM 1097 NZ LYS A 74 2.651 12.439 -6.799 1.00 0.00 N ATOM 0 H LYS A 74 -1.036 11.299 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.104 13.231 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.666 10.945 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.963 10.332 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.240 10.217 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.914 11.834 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.275 12.837 -4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.010 11.279 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.712 10.556 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.613 11.874 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.805 12.292 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.443 13.442 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.507 12.166 -6.276 1.00 0.00 H new ATOM 1111 N THR A 75 -3.207 12.219 -2.938 1.00 0.00 N ATOM 1112 CA THR A 75 -4.446 12.550 -3.630 1.00 0.00 C ATOM 1113 C THR A 75 -5.350 13.413 -2.756 1.00 0.00 C ATOM 1114 O THR A 75 -5.968 14.363 -3.234 1.00 0.00 O ATOM 1115 CB THR A 75 -5.214 11.281 -4.046 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.642 10.564 -2.883 1.00 0.00 O ATOM 1117 CG2 THR A 75 -4.343 10.381 -4.910 1.00 0.00 C ATOM 0 H THR A 75 -3.282 11.435 -2.290 1.00 0.00 H new ATOM 0 HA THR A 75 -4.169 13.108 -4.525 1.00 0.00 H new ATOM 0 HB THR A 75 -6.085 11.584 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.746 9.615 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.906 9.491 -5.192 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.042 10.920 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.456 10.086 -4.349 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.422 13.075 -1.472 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.252 13.830 -0.552 1.00 0.00 C ATOM 1127 C GLY A 76 -7.483 13.060 -0.116 1.00 0.00 C ATOM 1128 O GLY A 76 -8.591 13.596 -0.111 1.00 0.00 O ATOM 0 H GLY A 76 -4.920 12.292 -1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.665 14.098 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.559 14.762 -1.026 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.289 11.796 0.250 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.393 10.950 0.688 1.00 0.00 C ATOM 1134 C HIS A 77 -8.371 10.770 2.203 1.00 0.00 C ATOM 1135 O HIS A 77 -7.436 11.203 2.877 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.323 9.586 0.000 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.649 8.899 -0.105 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.250 8.004 0.715 1.00 0.00 N flip ATOM 1139 CD2 HIS A 77 -10.522 9.103 -1.152 1.00 0.00 C flip ATOM 1140 CE1 HIS A 77 -11.462 7.688 0.154 1.00 0.00 C flip ATOM 1141 NE2 HIS A 77 -11.603 8.365 -0.972 1.00 0.00 N flip ATOM 0 H HIS A 77 -6.378 11.336 0.252 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.326 11.441 0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.909 9.714 -1.000 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.634 8.946 0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.349 9.763 -1.989 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.183 6.998 0.566 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.409 8.325 -1.596 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.407 10.128 2.733 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.507 9.890 4.168 1.00 0.00 C ATOM 1152 C LYS A 78 -9.018 8.489 4.522 1.00 0.00 C ATOM 1153 O LYS A 78 -9.696 7.497 4.252 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.953 10.070 4.636 1.00 0.00 C ATOM 1155 CG LYS A 78 -11.190 9.619 6.066 1.00 0.00 C ATOM 1156 CD LYS A 78 -10.810 10.702 7.063 1.00 0.00 C ATOM 1157 CE LYS A 78 -11.988 11.614 7.370 1.00 0.00 C ATOM 1158 NZ LYS A 78 -12.830 11.079 8.476 1.00 0.00 N ATOM 0 H LYS A 78 -10.189 9.763 2.190 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.874 10.617 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.227 11.121 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.613 9.510 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.240 9.356 6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.608 8.719 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.455 10.241 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.985 11.293 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.620 12.604 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.598 11.734 6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.622 11.729 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.202 10.145 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.255 10.989 9.338 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.839 8.416 5.129 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.259 7.136 5.523 1.00 0.00 C ATOM 1174 C LEU A 79 -7.873 6.638 6.827 1.00 0.00 C ATOM 1175 O LEU A 79 -8.267 7.432 7.683 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.743 7.266 5.676 1.00 0.00 C ATOM 1177 CG LEU A 79 -5.040 6.113 6.394 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.271 4.804 5.655 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.551 6.397 6.527 1.00 0.00 C ATOM 0 H LEU A 79 -7.266 9.227 5.359 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.478 6.410 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.305 7.370 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.530 8.188 6.217 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.463 6.021 7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.763 3.995 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.340 4.594 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.876 4.883 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.067 5.566 7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.113 6.516 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.405 7.312 7.100 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.950 5.319 6.974 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.513 4.715 8.176 1.00 0.00 C ATOM 1193 C HIS A 80 -7.418 4.087 9.033 1.00 0.00 C ATOM 1194 O HIS A 80 -6.672 3.214 8.587 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.554 3.659 7.802 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.780 4.228 7.158 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.037 4.131 7.715 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.936 4.906 5.996 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.914 4.723 6.924 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.272 5.201 5.874 1.00 0.00 N ATOM 0 H HIS A 80 -7.630 4.648 6.276 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.997 5.501 8.756 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.099 2.937 7.124 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.845 3.114 8.700 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.156 5.166 5.296 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.976 4.802 7.105 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.699 5.707 5.098 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.317 4.540 10.291 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.316 4.036 11.236 1.00 0.00 C ATOM 1211 C PRO A 81 -6.600 2.602 11.671 1.00 0.00 C ATOM 1212 O PRO A 81 -7.707 2.087 11.513 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.440 4.990 12.426 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.834 5.509 12.352 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.173 5.578 10.889 1.00 0.00 C ATOM 0 HA PRO A 81 -5.319 4.008 10.797 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.260 4.473 13.368 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.712 5.799 12.362 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.524 4.852 12.882 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.910 6.492 12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.230 5.379 10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.960 6.563 10.473 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.577 1.940 12.232 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.693 0.556 12.702 1.00 0.00 C ATOM 1225 C PRO A 82 -6.577 0.436 13.939 1.00 0.00 C ATOM 1226 O PRO A 82 -7.334 1.351 14.265 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.249 0.174 13.039 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.575 1.468 13.338 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.229 2.491 12.452 1.00 0.00 C ATOM 0 HA PRO A 82 -6.157 -0.090 11.957 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.207 -0.501 13.894 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.770 -0.338 12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.688 1.733 14.389 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.505 1.406 13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.268 3.470 12.930 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.688 2.615 11.514 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.478 -0.698 14.624 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.267 -0.938 15.826 1.00 0.00 C ATOM 1239 C LYS A 83 -6.831 -0.012 16.957 1.00 0.00 C ATOM 1240 O LYS A 83 -5.670 -0.018 17.364 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.132 -2.397 16.267 1.00 0.00 C ATOM 1242 CG LYS A 83 -5.828 -2.698 16.984 1.00 0.00 C ATOM 1243 CD LYS A 83 -5.386 -4.134 16.759 1.00 0.00 C ATOM 1244 CE LYS A 83 -6.107 -5.092 17.696 1.00 0.00 C ATOM 1245 NZ LYS A 83 -6.227 -6.456 17.109 1.00 0.00 N ATOM 0 H LYS A 83 -5.858 -1.466 14.367 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.311 -0.731 15.592 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.964 -2.647 16.925 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.212 -3.041 15.391 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.052 -2.018 16.631 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.949 -2.517 18.052 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.582 -4.418 15.725 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.310 -4.213 16.913 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.568 -5.150 18.642 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.101 -4.704 17.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.283 -7.159 17.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.087 -6.509 16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.395 -6.654 16.517 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.771 0.782 17.462 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.464 1.701 18.542 1.00 0.00 C ATOM 1261 C GLY A 84 -6.521 2.807 18.112 1.00 0.00 C ATOM 1262 O GLY A 84 -5.597 3.164 18.844 1.00 0.00 O ATOM 0 H GLY A 84 -8.739 0.805 17.142 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.389 2.141 18.914 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.018 1.149 19.369 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.753 3.350 16.922 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.914 4.419 16.394 1.00 0.00 C ATOM 1268 C TYR A 85 -6.747 5.428 15.609 1.00 0.00 C ATOM 1269 O TYR A 85 -7.692 5.061 14.910 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.817 3.841 15.499 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.569 3.440 16.252 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.549 4.355 16.482 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.409 2.147 16.734 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.406 3.994 17.170 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.271 1.777 17.423 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.272 2.704 17.639 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.136 2.339 18.324 1.00 0.00 O ATOM 0 H TYR A 85 -7.515 3.068 16.305 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.452 4.933 17.237 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.210 2.970 14.974 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.553 4.578 14.741 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.651 5.366 16.117 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.188 1.418 16.567 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.622 4.718 17.339 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.163 0.767 17.791 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.201 1.397 18.586 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.390 6.702 15.729 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.101 7.766 15.030 1.00 0.00 C ATOM 1289 C LYS A 86 -6.365 8.167 13.756 1.00 0.00 C ATOM 1290 O LYS A 86 -5.226 7.760 13.533 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.264 8.983 15.943 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.153 8.726 17.147 1.00 0.00 C ATOM 1293 CD LYS A 86 -7.354 8.202 18.329 1.00 0.00 C ATOM 1294 CE LYS A 86 -8.263 7.640 19.411 1.00 0.00 C ATOM 1295 NZ LYS A 86 -8.800 8.710 20.297 1.00 0.00 N ATOM 0 H LYS A 86 -5.612 7.023 16.305 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.087 7.391 14.755 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.281 9.301 16.289 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.680 9.808 15.364 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.660 9.649 17.430 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.927 8.006 16.882 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.667 7.426 17.990 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.747 9.006 18.744 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.091 7.104 18.947 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.710 6.916 20.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.415 8.286 21.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.012 9.206 20.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.349 9.387 19.730 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.023 8.970 12.926 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.429 9.426 11.675 1.00 0.00 C ATOM 1311 C GLU A 87 -5.416 10.539 11.928 1.00 0.00 C ATOM 1312 O GLU A 87 -4.329 10.545 11.352 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.516 9.920 10.718 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.670 10.619 11.417 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.459 11.518 10.484 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -9.042 11.672 9.317 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -10.492 12.066 10.920 1.00 0.00 O ATOM 0 H GLU A 87 -7.966 9.318 13.097 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.911 8.582 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.070 10.605 9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.904 9.072 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.337 9.871 11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.283 11.212 12.245 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.782 11.480 12.793 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.906 12.598 13.121 1.00 0.00 C ATOM 1326 C GLU A 88 -3.678 12.120 13.891 1.00 0.00 C ATOM 1327 O GLU A 88 -2.585 12.661 13.732 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.663 13.643 13.944 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.655 13.043 14.926 1.00 0.00 C ATOM 1330 CD GLU A 88 -8.028 12.839 14.316 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -8.265 13.351 13.201 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -8.866 12.168 14.953 1.00 0.00 O ATOM 0 H GLU A 88 -6.679 11.490 13.279 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.574 13.052 12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.944 14.251 14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.194 14.311 13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.274 12.086 15.283 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.741 13.696 15.795 1.00 0.00 H new ATOM 1339 N GLU A 89 -3.869 11.103 14.725 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.778 10.553 15.520 1.00 0.00 C ATOM 1341 C GLU A 89 -1.843 9.714 14.654 1.00 0.00 C ATOM 1342 O GLU A 89 -0.672 10.051 14.477 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.330 9.702 16.666 1.00 0.00 C ATOM 1344 CG GLU A 89 -3.959 10.519 17.782 1.00 0.00 C ATOM 1345 CD GLU A 89 -4.653 11.767 17.272 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -3.967 12.630 16.685 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -5.882 11.880 17.459 1.00 0.00 O ATOM 0 H GLU A 89 -4.768 10.644 14.868 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.211 11.386 15.936 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.074 9.011 16.269 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.523 9.098 17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.679 9.901 18.318 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.188 10.804 18.498 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.368 8.617 14.117 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.581 7.728 13.271 1.00 0.00 C ATOM 1356 C PHE A 90 -0.718 8.526 12.298 1.00 0.00 C ATOM 1357 O PHE A 90 -1.169 8.902 11.217 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.500 6.781 12.496 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.761 5.714 11.740 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.860 4.885 12.389 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.968 5.539 10.381 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.179 3.901 11.696 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.290 4.558 9.684 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.393 3.738 10.342 1.00 0.00 C ATOM 0 H PHE A 90 -3.335 8.323 14.253 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.925 7.141 13.914 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.192 6.308 13.193 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.100 7.362 11.796 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.688 5.009 13.448 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.667 6.177 9.861 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.520 3.261 12.214 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.461 4.432 8.625 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.139 2.972 9.798 1.00 0.00 H new ATOM 1374 N ASN A 91 0.526 8.780 12.691 1.00 0.00 N ATOM 1375 CA ASN A 91 1.453 9.534 11.855 1.00 0.00 C ATOM 1376 C ASN A 91 2.477 8.608 11.206 1.00 0.00 C ATOM 1377 O ASN A 91 3.449 8.199 11.842 1.00 0.00 O ATOM 1378 CB ASN A 91 2.168 10.602 12.685 1.00 0.00 C ATOM 1379 CG ASN A 91 1.379 11.895 12.768 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.758 12.192 13.788 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.401 12.670 11.690 1.00 0.00 N ATOM 0 H ASN A 91 0.915 8.475 13.583 1.00 0.00 H new ATOM 0 HA ASN A 91 0.879 10.020 11.067 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.341 10.220 13.691 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.146 10.804 12.248 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.889 13.552 11.686 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.930 12.383 10.866 1.00 0.00 H new ATOM 1388 N TRP A 92 2.252 8.282 9.939 1.00 0.00 N ATOM 1389 CA TRP A 92 3.156 7.405 9.203 1.00 0.00 C ATOM 1390 C TRP A 92 4.600 7.618 9.644 1.00 0.00 C ATOM 1391 O TRP A 92 5.183 6.770 10.319 1.00 0.00 O ATOM 1392 CB TRP A 92 3.028 7.651 7.699 1.00 0.00 C ATOM 1393 CG TRP A 92 1.993 6.788 7.043 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.817 7.200 6.482 1.00 0.00 C ATOM 1395 CD2 TRP A 92 2.040 5.366 6.880 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.131 6.121 5.982 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.860 4.984 6.212 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.964 4.380 7.232 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.583 3.658 5.892 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.688 3.064 6.914 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.506 2.712 6.249 1.00 0.00 C ATOM 0 H TRP A 92 1.452 8.611 9.399 1.00 0.00 H new ATOM 0 HA TRP A 92 2.877 6.374 9.420 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.778 8.698 7.529 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.993 7.472 7.225 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.477 8.224 6.438 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.775 6.160 5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.878 4.641 7.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.328 3.385 5.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.395 2.293 7.183 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.319 1.675 6.014 1.00 0.00 H new ATOM 1412 N GLN A 93 5.171 8.755 9.258 1.00 0.00 N ATOM 1413 CA GLN A 93 6.547 9.078 9.614 1.00 0.00 C ATOM 1414 C GLN A 93 6.837 8.703 11.064 1.00 0.00 C ATOM 1415 O GLN A 93 7.848 8.067 11.363 1.00 0.00 O ATOM 1416 CB GLN A 93 6.817 10.567 9.396 1.00 0.00 C ATOM 1417 CG GLN A 93 5.713 11.469 9.924 1.00 0.00 C ATOM 1418 CD GLN A 93 5.650 12.799 9.199 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.670 13.861 9.823 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.572 12.749 7.875 1.00 0.00 N ATOM 0 H GLN A 93 4.702 9.467 8.699 1.00 0.00 H new ATOM 0 HA GLN A 93 7.208 8.499 8.969 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.756 10.833 9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.947 10.752 8.330 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.754 10.960 9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.871 11.646 10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.558 11.847 7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.526 13.612 7.334 1.00 0.00 H new ATOM 1429 N THR A 94 5.942 9.103 11.963 1.00 0.00 N ATOM 1430 CA THR A 94 6.102 8.812 13.382 1.00 0.00 C ATOM 1431 C THR A 94 6.146 7.309 13.633 1.00 0.00 C ATOM 1432 O THR A 94 6.909 6.832 14.474 1.00 0.00 O ATOM 1433 CB THR A 94 4.960 9.426 14.214 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.814 10.814 13.895 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.230 9.268 15.703 1.00 0.00 C ATOM 0 H THR A 94 5.099 9.629 11.733 1.00 0.00 H new ATOM 0 HA THR A 94 7.047 9.258 13.691 1.00 0.00 H new ATOM 0 HB THR A 94 4.038 8.899 13.970 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.200 11.234 14.533 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.410 9.709 16.270 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.312 8.209 15.948 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.161 9.773 15.959 1.00 0.00 H new ATOM 1443 N TYR A 95 5.325 6.567 12.898 1.00 0.00 N ATOM 1444 CA TYR A 95 5.269 5.117 13.043 1.00 0.00 C ATOM 1445 C TYR A 95 6.454 4.454 12.347 1.00 0.00 C ATOM 1446 O TYR A 95 6.870 3.354 12.714 1.00 0.00 O ATOM 1447 CB TYR A 95 3.959 4.576 12.469 1.00 0.00 C ATOM 1448 CG TYR A 95 3.843 3.070 12.538 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.390 2.359 13.599 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.187 2.358 11.542 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.288 0.983 13.665 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.078 0.982 11.601 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.631 0.299 12.664 1.00 0.00 C ATOM 1454 OH TYR A 95 3.526 -1.072 12.727 1.00 0.00 O ATOM 0 H TYR A 95 4.689 6.946 12.196 1.00 0.00 H new ATOM 0 HA TYR A 95 5.317 4.882 14.106 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.124 5.021 13.010 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.870 4.891 11.429 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.904 2.891 14.386 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.755 2.889 10.707 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.720 0.446 14.496 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.563 0.444 10.819 1.00 0.00 H new ATOM 0 HH TYR A 95 2.604 -1.339 12.529 1.00 0.00 H new ATOM 1464 N LEU A 96 6.995 5.132 11.340 1.00 0.00 N ATOM 1465 CA LEU A 96 8.133 4.611 10.591 1.00 0.00 C ATOM 1466 C LEU A 96 9.445 4.937 11.297 1.00 0.00 C ATOM 1467 O LEU A 96 10.474 4.312 11.039 1.00 0.00 O ATOM 1468 CB LEU A 96 8.145 5.190 9.175 1.00 0.00 C ATOM 1469 CG LEU A 96 6.882 4.960 8.345 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.680 6.096 7.354 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.957 3.624 7.619 1.00 0.00 C ATOM 0 H LEU A 96 6.664 6.043 11.024 1.00 0.00 H new ATOM 0 HA LEU A 96 8.033 3.527 10.533 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.319 6.264 9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.992 4.764 8.637 1.00 0.00 H new ATOM 0 HG LEU A 96 6.026 4.937 9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.776 5.915 6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.581 7.037 7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.538 6.151 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.050 3.477 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.822 3.618 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.053 2.819 8.348 1.00 0.00 H new ATOM 1483 N LYS A 97 9.401 5.918 12.192 1.00 0.00 N ATOM 1484 CA LYS A 97 10.585 6.325 12.940 1.00 0.00 C ATOM 1485 C LYS A 97 10.698 5.545 14.246 1.00 0.00 C ATOM 1486 O LYS A 97 11.799 5.224 14.696 1.00 0.00 O ATOM 1487 CB LYS A 97 10.536 7.827 13.233 1.00 0.00 C ATOM 1488 CG LYS A 97 9.817 8.171 14.526 1.00 0.00 C ATOM 1489 CD LYS A 97 10.773 8.197 15.706 1.00 0.00 C ATOM 1490 CE LYS A 97 11.553 9.501 15.763 1.00 0.00 C ATOM 1491 NZ LYS A 97 12.231 9.685 17.077 1.00 0.00 N ATOM 0 H LYS A 97 8.558 6.446 12.417 1.00 0.00 H new ATOM 0 HA LYS A 97 11.462 6.108 12.331 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.554 8.213 13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.040 8.334 12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.333 9.143 14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.029 7.440 14.711 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.213 8.066 16.632 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.467 7.360 15.632 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.296 9.515 14.966 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.877 10.337 15.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.752 10.585 17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.520 9.697 17.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.895 8.901 17.238 1.00 0.00 H new ATOM 1505 N THR A 98 9.554 5.242 14.851 1.00 0.00 N ATOM 1506 CA THR A 98 9.526 4.499 16.104 1.00 0.00 C ATOM 1507 C THR A 98 9.823 3.022 15.875 1.00 0.00 C ATOM 1508 O THR A 98 10.322 2.334 16.766 1.00 0.00 O ATOM 1509 CB THR A 98 8.161 4.634 16.806 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.305 4.383 18.209 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.150 3.664 16.213 1.00 0.00 C ATOM 0 H THR A 98 8.634 5.500 14.493 1.00 0.00 H new ATOM 0 HA THR A 98 10.299 4.927 16.742 1.00 0.00 H new ATOM 0 HB THR A 98 7.798 5.650 16.655 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.434 4.472 18.648 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.194 3.777 16.724 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.021 3.876 15.152 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.509 2.643 16.338 1.00 0.00 H new ATOM 1519 N CYS A 99 9.514 2.540 14.676 1.00 0.00 N ATOM 1520 CA CYS A 99 9.749 1.143 14.330 1.00 0.00 C ATOM 1521 C CYS A 99 10.862 1.019 13.295 1.00 0.00 C ATOM 1522 O CYS A 99 10.963 0.012 12.593 1.00 0.00 O ATOM 1523 CB CYS A 99 8.465 0.506 13.795 1.00 0.00 C ATOM 1524 SG CYS A 99 7.431 -0.252 15.070 1.00 0.00 S ATOM 0 H CYS A 99 9.100 3.096 13.928 1.00 0.00 H new ATOM 0 HA CYS A 99 10.058 0.617 15.234 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.883 1.268 13.276 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.728 -0.252 13.057 1.00 0.00 H new ATOM 0 HG CYS A 99 6.368 -0.761 14.521 1.00 0.00 H new ATOM 1530 N LYS A 100 11.695 2.049 13.203 1.00 0.00 N ATOM 1531 CA LYS A 100 12.802 2.057 12.253 1.00 0.00 C ATOM 1532 C LYS A 100 12.447 1.267 10.998 1.00 0.00 C ATOM 1533 O LYS A 100 13.288 0.565 10.437 1.00 0.00 O ATOM 1534 CB LYS A 100 14.059 1.472 12.899 1.00 0.00 C ATOM 1535 CG LYS A 100 13.798 0.214 13.710 1.00 0.00 C ATOM 1536 CD LYS A 100 13.351 0.545 15.124 1.00 0.00 C ATOM 1537 CE LYS A 100 13.228 -0.708 15.977 1.00 0.00 C ATOM 1538 NZ LYS A 100 14.520 -1.442 16.075 1.00 0.00 N ATOM 0 H LYS A 100 11.625 2.890 13.775 1.00 0.00 H new ATOM 0 HA LYS A 100 12.996 3.091 11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.787 1.247 12.119 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.508 2.225 13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.033 -0.386 13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.704 -0.391 13.746 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.065 1.229 15.582 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.391 1.060 15.092 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.889 -0.435 16.976 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.469 -1.364 15.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.494 -2.083 16.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.672 -1.994 15.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.298 -0.762 16.193 1.00 0.00 H new ATOM 1552 N ALA A 101 11.197 1.387 10.562 1.00 0.00 N ATOM 1553 CA ALA A 101 10.733 0.687 9.371 1.00 0.00 C ATOM 1554 C ALA A 101 10.760 1.601 8.151 1.00 0.00 C ATOM 1555 O ALA A 101 10.840 2.822 8.281 1.00 0.00 O ATOM 1556 CB ALA A 101 9.331 0.140 9.593 1.00 0.00 C ATOM 0 H ALA A 101 10.488 1.963 11.016 1.00 0.00 H new ATOM 0 HA ALA A 101 11.410 -0.146 9.182 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.997 -0.380 8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.340 -0.555 10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.650 0.963 9.810 1.00 0.00 H new ATOM 1562 N GLN A 102 10.692 1.002 6.966 1.00 0.00 N ATOM 1563 CA GLN A 102 10.710 1.764 5.723 1.00 0.00 C ATOM 1564 C GLN A 102 9.421 1.551 4.936 1.00 0.00 C ATOM 1565 O GLN A 102 8.789 0.500 5.033 1.00 0.00 O ATOM 1566 CB GLN A 102 11.915 1.362 4.871 1.00 0.00 C ATOM 1567 CG GLN A 102 13.234 1.917 5.383 1.00 0.00 C ATOM 1568 CD GLN A 102 14.362 1.757 4.383 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.143 1.794 3.171 1.00 0.00 O ATOM 1570 NE2 GLN A 102 15.578 1.577 4.885 1.00 0.00 N ATOM 0 H GLN A 102 10.624 -0.008 6.841 1.00 0.00 H new ATOM 0 HA GLN A 102 10.790 2.821 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.977 0.274 4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.758 1.706 3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.111 2.974 5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.501 1.411 6.311 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.714 1.553 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.376 1.463 4.260 1.00 0.00 H new ATOM 1579 N ALA A 103 9.037 2.556 4.155 1.00 0.00 N ATOM 1580 CA ALA A 103 7.825 2.478 3.350 1.00 0.00 C ATOM 1581 C ALA A 103 8.102 1.819 2.003 1.00 0.00 C ATOM 1582 O ALA A 103 9.197 1.943 1.455 1.00 0.00 O ATOM 1583 CB ALA A 103 7.234 3.866 3.149 1.00 0.00 C ATOM 0 H ALA A 103 9.548 3.434 4.063 1.00 0.00 H new ATOM 0 HA ALA A 103 7.103 1.862 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.329 3.792 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.990 4.301 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.959 4.500 2.639 1.00 0.00 H new ATOM 1589 N ALA A 104 7.104 1.118 1.476 1.00 0.00 N ATOM 1590 CA ALA A 104 7.241 0.441 0.192 1.00 0.00 C ATOM 1591 C ALA A 104 7.579 1.430 -0.917 1.00 0.00 C ATOM 1592 O ALA A 104 7.110 2.569 -0.932 1.00 0.00 O ATOM 1593 CB ALA A 104 5.964 -0.316 -0.144 1.00 0.00 C ATOM 0 H ALA A 104 6.192 1.004 1.918 1.00 0.00 H new ATOM 0 HA ALA A 104 8.063 -0.271 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.080 -0.817 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.766 -1.058 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.130 0.384 -0.198 1.00 0.00 H new ATOM 1599 N PRO A 105 8.414 0.990 -1.870 1.00 0.00 N ATOM 1600 CA PRO A 105 8.833 1.822 -3.002 1.00 0.00 C ATOM 1601 C PRO A 105 7.696 2.084 -3.983 1.00 0.00 C ATOM 1602 O PRO A 105 6.886 1.199 -4.261 1.00 0.00 O ATOM 1603 CB PRO A 105 9.931 0.988 -3.667 1.00 0.00 C ATOM 1604 CG PRO A 105 9.619 -0.419 -3.291 1.00 0.00 C ATOM 1605 CD PRO A 105 9.011 -0.355 -1.917 1.00 0.00 C ATOM 0 HA PRO A 105 9.163 2.810 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.927 1.119 -4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.920 1.282 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.927 -0.869 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.520 -1.032 -3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.261 -1.133 -1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.762 -0.489 -1.139 1.00 0.00 H new ATOM 1613 N LYS A 106 7.639 3.305 -4.504 1.00 0.00 N ATOM 1614 CA LYS A 106 6.601 3.684 -5.455 1.00 0.00 C ATOM 1615 C LYS A 106 6.761 2.921 -6.767 1.00 0.00 C ATOM 1616 O LYS A 106 5.813 2.794 -7.541 1.00 0.00 O ATOM 1617 CB LYS A 106 6.649 5.190 -5.720 1.00 0.00 C ATOM 1618 CG LYS A 106 7.924 5.647 -6.407 1.00 0.00 C ATOM 1619 CD LYS A 106 7.949 7.155 -6.591 1.00 0.00 C ATOM 1620 CE LYS A 106 9.193 7.605 -7.342 1.00 0.00 C ATOM 1621 NZ LYS A 106 10.368 7.740 -6.437 1.00 0.00 N ATOM 0 H LYS A 106 8.300 4.050 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 106 5.634 3.428 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.794 5.469 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.546 5.720 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.787 5.337 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.010 5.160 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.060 7.471 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.915 7.642 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.422 6.887 -8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.998 8.560 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.196 8.048 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.160 8.444 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.570 6.822 -5.992 1.00 0.00 H new ATOM 1635 N SER A 107 7.966 2.415 -7.009 1.00 0.00 N ATOM 1636 CA SER A 107 8.250 1.667 -8.228 1.00 0.00 C ATOM 1637 C SER A 107 7.320 0.464 -8.356 1.00 0.00 C ATOM 1638 O SER A 107 7.033 0.001 -9.461 1.00 0.00 O ATOM 1639 CB SER A 107 9.707 1.202 -8.239 1.00 0.00 C ATOM 1640 OG SER A 107 10.033 0.517 -7.042 1.00 0.00 O ATOM 0 H SER A 107 8.761 2.509 -6.377 1.00 0.00 H new ATOM 0 HA SER A 107 8.081 2.328 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.877 0.547 -9.094 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.366 2.062 -8.360 1.00 0.00 H new ATOM 0 HG SER A 107 10.969 0.229 -7.075 1.00 0.00 H new ATOM 1646 N LEU A 108 6.851 -0.037 -7.218 1.00 0.00 N ATOM 1647 CA LEU A 108 5.953 -1.187 -7.201 1.00 0.00 C ATOM 1648 C LEU A 108 4.608 -0.836 -7.829 1.00 0.00 C ATOM 1649 O LEU A 108 4.004 -1.652 -8.525 1.00 0.00 O ATOM 1650 CB LEU A 108 5.747 -1.677 -5.767 1.00 0.00 C ATOM 1651 CG LEU A 108 6.872 -2.531 -5.182 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.610 -2.825 -3.713 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.022 -3.826 -5.968 1.00 0.00 C ATOM 0 H LEU A 108 7.078 0.335 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 108 6.411 -1.983 -7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.606 -0.808 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.823 -2.254 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 108 7.805 -1.972 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.421 -3.434 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.553 -1.888 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.668 -3.364 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.827 -4.422 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.090 -4.389 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.256 -3.596 -7.007 1.00 0.00 H new ATOM 1665 N PHE A 109 4.145 0.385 -7.579 1.00 0.00 N ATOM 1666 CA PHE A 109 2.871 0.844 -8.121 1.00 0.00 C ATOM 1667 C PHE A 109 3.090 1.770 -9.314 1.00 0.00 C ATOM 1668 O PHE A 109 2.407 2.783 -9.460 1.00 0.00 O ATOM 1669 CB PHE A 109 2.065 1.568 -7.041 1.00 0.00 C ATOM 1670 CG PHE A 109 2.166 0.927 -5.686 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.257 1.171 -4.869 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.169 0.079 -5.231 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.353 0.582 -3.623 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.259 -0.513 -3.985 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.352 -0.261 -3.180 1.00 0.00 C ATOM 0 H PHE A 109 4.632 1.073 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 109 2.312 -0.029 -8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.409 2.600 -6.972 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.018 1.601 -7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.042 1.830 -5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.312 -0.122 -5.857 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.210 0.780 -2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.475 -1.172 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.424 -0.722 -2.206 1.00 0.00 H new ATOM 1685 N GLU A 110 4.047 1.413 -10.165 1.00 0.00 N ATOM 1686 CA GLU A 110 4.357 2.212 -11.344 1.00 0.00 C ATOM 1687 C GLU A 110 3.557 1.733 -12.552 1.00 0.00 C ATOM 1688 O GLU A 110 4.036 1.778 -13.684 1.00 0.00 O ATOM 1689 CB GLU A 110 5.855 2.148 -11.652 1.00 0.00 C ATOM 1690 CG GLU A 110 6.317 3.200 -12.646 1.00 0.00 C ATOM 1691 CD GLU A 110 6.711 4.502 -11.977 1.00 0.00 C ATOM 1692 OE1 GLU A 110 6.003 4.923 -11.037 1.00 0.00 O ATOM 1693 OE2 GLU A 110 7.724 5.101 -12.392 1.00 0.00 O ATOM 0 H GLU A 110 4.620 0.576 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 110 4.081 3.245 -11.134 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.414 2.267 -10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.095 1.160 -12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.166 2.814 -13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.519 3.392 -13.364 1.00 0.00 H new ATOM 1700 N ASN A 111 2.336 1.273 -12.301 1.00 0.00 N ATOM 1701 CA ASN A 111 1.469 0.783 -13.367 1.00 0.00 C ATOM 1702 C ASN A 111 0.428 1.832 -13.746 1.00 0.00 C ATOM 1703 O ASN A 111 0.152 2.047 -14.926 1.00 0.00 O ATOM 1704 CB ASN A 111 0.774 -0.509 -12.934 1.00 0.00 C ATOM 1705 CG ASN A 111 1.669 -1.724 -13.077 1.00 0.00 C ATOM 1706 OD1 ASN A 111 1.516 -2.516 -14.007 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.611 -1.877 -12.153 1.00 0.00 N ATOM 0 H ASN A 111 1.924 1.229 -11.369 1.00 0.00 H new ATOM 0 HA ASN A 111 2.088 0.579 -14.241 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.455 -0.416 -11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.126 -0.652 -13.532 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.244 -2.676 -12.197 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.702 -1.196 -11.399 1.00 0.00 H new ATOM 1714 N GLN A 112 -0.145 2.481 -12.738 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.155 3.507 -12.966 1.00 0.00 C ATOM 1716 C GLN A 112 -0.743 4.829 -12.327 1.00 0.00 C ATOM 1717 O GLN A 112 -0.276 4.860 -11.189 1.00 0.00 O ATOM 1718 CB GLN A 112 -2.506 3.056 -12.407 1.00 0.00 C ATOM 1719 CG GLN A 112 -2.553 3.016 -10.888 1.00 0.00 C ATOM 1720 CD GLN A 112 -3.956 2.809 -10.353 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -4.936 2.907 -11.093 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -4.061 2.519 -9.062 1.00 0.00 N ATOM 0 H GLN A 112 0.073 2.314 -11.756 1.00 0.00 H new ATOM 0 HA GLN A 112 -1.247 3.658 -14.042 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -3.283 3.730 -12.769 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.738 2.064 -12.796 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -1.909 2.213 -10.529 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -2.151 3.948 -10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -3.223 2.448 -8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.980 2.368 -8.646 1.00 0.00 H new ATOM 1731 N ASN A 113 -0.918 5.919 -13.067 1.00 0.00 N ATOM 1732 CA ASN A 113 -0.563 7.244 -12.573 1.00 0.00 C ATOM 1733 C ASN A 113 -1.572 8.288 -13.041 1.00 0.00 C ATOM 1734 O ASN A 113 -2.325 8.057 -13.988 1.00 0.00 O ATOM 1735 CB ASN A 113 0.841 7.628 -13.045 1.00 0.00 C ATOM 1736 CG ASN A 113 1.916 6.747 -12.437 1.00 0.00 C ATOM 1737 OD1 ASN A 113 1.902 5.467 -12.792 1.00 0.00 O flip ATOM 1738 ND2 ASN A 113 2.750 7.213 -11.660 1.00 0.00 N flip ATOM 0 H ASN A 113 -1.304 5.911 -14.011 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.577 7.214 -11.484 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.888 7.557 -14.132 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.037 8.668 -12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.722 8.203 -11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.469 6.609 -11.261 1.00 0.00 H new ATOM 1745 N ILE A 114 -1.581 9.436 -12.373 1.00 0.00 N ATOM 1746 CA ILE A 114 -2.496 10.516 -12.722 1.00 0.00 C ATOM 1747 C ILE A 114 -1.861 11.471 -13.726 1.00 0.00 C ATOM 1748 O ILE A 114 -0.716 11.894 -13.561 1.00 0.00 O ATOM 1749 CB ILE A 114 -2.929 11.311 -11.476 1.00 0.00 C ATOM 1750 CG1 ILE A 114 -3.459 10.364 -10.398 1.00 0.00 C ATOM 1751 CG2 ILE A 114 -3.983 12.343 -11.847 1.00 0.00 C ATOM 1752 CD1 ILE A 114 -4.429 9.330 -10.926 1.00 0.00 C ATOM 0 H ILE A 114 -0.965 9.643 -11.587 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.375 10.053 -13.171 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.060 11.834 -11.077 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.618 9.855 -9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.952 10.949 -9.622 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.279 12.897 -10.956 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.573 13.033 -12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.854 11.839 -12.267 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -4.764 8.693 -10.107 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -5.289 9.831 -11.371 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.934 8.719 -11.681 1.00 0.00 H new ATOM 1764 N THR A 115 -2.612 11.811 -14.769 1.00 0.00 N ATOM 1765 CA THR A 115 -2.124 12.717 -15.800 1.00 0.00 C ATOM 1766 C THR A 115 -1.404 13.912 -15.186 1.00 0.00 C ATOM 1767 O THR A 115 -1.999 14.696 -14.448 1.00 0.00 O ATOM 1768 CB THR A 115 -3.274 13.227 -16.690 1.00 0.00 C ATOM 1769 OG1 THR A 115 -4.229 13.939 -15.896 1.00 0.00 O ATOM 1770 CG2 THR A 115 -3.960 12.072 -17.403 1.00 0.00 C ATOM 0 H THR A 115 -3.562 11.472 -14.922 1.00 0.00 H new ATOM 0 HA THR A 115 -1.424 12.150 -16.413 1.00 0.00 H new ATOM 0 HB THR A 115 -2.854 13.897 -17.440 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.771 14.380 -15.151 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.768 12.457 -18.025 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.237 11.550 -18.030 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.368 11.380 -16.666 1.00 0.00 H new ATOM 1778 N VAL A 116 -0.118 14.045 -15.497 1.00 0.00 N ATOM 1779 CA VAL A 116 0.684 15.146 -14.976 1.00 0.00 C ATOM 1780 C VAL A 116 0.044 16.492 -15.298 1.00 0.00 C ATOM 1781 O VAL A 116 -0.389 16.731 -16.426 1.00 0.00 O ATOM 1782 CB VAL A 116 2.113 15.120 -15.550 1.00 0.00 C ATOM 1783 CG1 VAL A 116 2.722 13.734 -15.402 1.00 0.00 C ATOM 1784 CG2 VAL A 116 2.110 15.557 -17.007 1.00 0.00 C ATOM 0 H VAL A 116 0.390 13.404 -16.107 1.00 0.00 H new ATOM 0 HA VAL A 116 0.732 15.019 -13.895 1.00 0.00 H new ATOM 0 HB VAL A 116 2.726 15.823 -14.985 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.732 13.734 -15.813 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.760 13.464 -14.347 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.112 13.009 -15.940 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.128 15.533 -17.396 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.483 14.881 -17.588 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.717 16.571 -17.082 1.00 0.00 H new ATOM 1794 N ILE A 117 -0.012 17.368 -14.300 1.00 0.00 N ATOM 1795 CA ILE A 117 -0.598 18.691 -14.477 1.00 0.00 C ATOM 1796 C ILE A 117 0.456 19.706 -14.906 1.00 0.00 C ATOM 1797 O ILE A 117 1.611 19.656 -14.481 1.00 0.00 O ATOM 1798 CB ILE A 117 -1.275 19.185 -13.185 1.00 0.00 C ATOM 1799 CG1 ILE A 117 -0.286 19.143 -12.018 1.00 0.00 C ATOM 1800 CG2 ILE A 117 -2.504 18.343 -12.876 1.00 0.00 C ATOM 1801 CD1 ILE A 117 -0.558 20.187 -10.958 1.00 0.00 C ATOM 0 H ILE A 117 0.341 17.185 -13.361 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.351 18.600 -15.260 1.00 0.00 H new ATOM 0 HB ILE A 117 -1.593 20.217 -13.330 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.319 18.155 -11.560 1.00 0.00 H new ATOM 0 HG13 ILE A 117 0.724 19.282 -12.403 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.972 18.704 -11.960 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.214 18.419 -13.700 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.209 17.302 -12.746 1.00 0.00 H new ATOM 0 HD11 ILE A 117 0.181 20.098 -10.162 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -0.496 21.181 -11.402 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.555 20.035 -10.545 1.00 0.00 H new ATOM 1813 N PRO A 118 0.052 20.651 -15.767 1.00 0.00 N ATOM 1814 CA PRO A 118 0.945 21.699 -16.270 1.00 0.00 C ATOM 1815 C PRO A 118 1.324 22.706 -15.190 1.00 0.00 C ATOM 1816 O PRO A 118 0.470 23.177 -14.439 1.00 0.00 O ATOM 1817 CB PRO A 118 0.118 22.375 -17.365 1.00 0.00 C ATOM 1818 CG PRO A 118 -1.299 22.119 -16.983 1.00 0.00 C ATOM 1819 CD PRO A 118 -1.310 20.772 -16.315 1.00 0.00 C ATOM 0 HA PRO A 118 1.892 21.292 -16.623 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.327 23.444 -17.416 1.00 0.00 H new ATOM 0 HB3 PRO A 118 0.345 21.958 -18.346 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.667 22.892 -16.309 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.947 22.125 -17.860 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.065 20.719 -15.530 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.530 19.974 -17.024 1.00 0.00 H new ATOM 1827 N SER A 119 2.611 23.032 -15.117 1.00 0.00 N ATOM 1828 CA SER A 119 3.103 23.982 -14.125 1.00 0.00 C ATOM 1829 C SER A 119 3.044 25.408 -14.663 1.00 0.00 C ATOM 1830 O SER A 119 3.256 25.645 -15.851 1.00 0.00 O ATOM 1831 CB SER A 119 4.539 23.635 -13.725 1.00 0.00 C ATOM 1832 OG SER A 119 4.561 22.617 -12.739 1.00 0.00 O ATOM 0 H SER A 119 3.331 22.653 -15.732 1.00 0.00 H new ATOM 0 HA SER A 119 2.462 23.917 -13.246 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.096 23.307 -14.603 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.039 24.525 -13.344 1.00 0.00 H new ATOM 0 HG SER A 119 5.489 22.412 -12.501 1.00 0.00 H new ATOM 1838 N GLY A 120 2.753 26.356 -13.777 1.00 0.00 N ATOM 1839 CA GLY A 120 2.670 27.748 -14.180 1.00 0.00 C ATOM 1840 C GLY A 120 3.665 28.625 -13.445 1.00 0.00 C ATOM 1841 O GLY A 120 4.809 28.228 -13.225 1.00 0.00 O ATOM 0 H GLY A 120 2.573 26.185 -12.788 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.847 27.824 -15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 120 1.661 28.117 -13.997 1.00 0.00 H new ATOM 1845 N PHE A 121 3.229 29.821 -13.065 1.00 0.00 N ATOM 1846 CA PHE A 121 4.090 30.758 -12.353 1.00 0.00 C ATOM 1847 C PHE A 121 4.208 30.376 -10.880 1.00 0.00 C ATOM 1848 O PHE A 121 3.434 29.564 -10.374 1.00 0.00 O ATOM 1849 CB PHE A 121 3.545 32.182 -12.480 1.00 0.00 C ATOM 1850 CG PHE A 121 4.072 32.921 -13.677 1.00 0.00 C ATOM 1851 CD1 PHE A 121 3.842 32.445 -14.958 1.00 0.00 C ATOM 1852 CD2 PHE A 121 4.798 34.091 -13.521 1.00 0.00 C ATOM 1853 CE1 PHE A 121 4.325 33.122 -16.062 1.00 0.00 C ATOM 1854 CE2 PHE A 121 5.283 34.772 -14.621 1.00 0.00 C ATOM 1855 CZ PHE A 121 5.047 34.287 -15.893 1.00 0.00 C ATOM 0 H PHE A 121 2.284 30.164 -13.238 1.00 0.00 H new ATOM 0 HA PHE A 121 5.082 30.715 -12.802 1.00 0.00 H new ATOM 0 HB2 PHE A 121 2.457 32.142 -12.537 1.00 0.00 H new ATOM 0 HB3 PHE A 121 3.797 32.741 -11.578 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.278 31.534 -15.095 1.00 0.00 H new ATOM 0 HD2 PHE A 121 4.987 34.475 -12.529 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.138 32.741 -17.055 1.00 0.00 H new ATOM 0 HE2 PHE A 121 5.847 35.683 -14.487 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.426 34.818 -16.754 1.00 0.00 H new ATOM 1865 N SER A 122 5.183 30.968 -10.198 1.00 0.00 N ATOM 1866 CA SER A 122 5.406 30.688 -8.785 1.00 0.00 C ATOM 1867 C SER A 122 4.402 31.439 -7.916 1.00 0.00 C ATOM 1868 O SER A 122 3.705 30.843 -7.096 1.00 0.00 O ATOM 1869 CB SER A 122 6.832 31.074 -8.385 1.00 0.00 C ATOM 1870 OG SER A 122 7.769 30.124 -8.861 1.00 0.00 O ATOM 0 H SER A 122 5.831 31.645 -10.601 1.00 0.00 H new ATOM 0 HA SER A 122 5.268 29.618 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.072 32.059 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.902 31.146 -7.300 1.00 0.00 H new ATOM 0 HG SER A 122 8.673 30.394 -8.594 1.00 0.00 H new ATOM 1876 N GLY A 123 4.334 32.754 -8.103 1.00 0.00 N ATOM 1877 CA GLY A 123 3.412 33.566 -7.331 1.00 0.00 C ATOM 1878 C GLY A 123 3.829 33.694 -5.879 1.00 0.00 C ATOM 1879 O GLY A 123 4.994 33.507 -5.527 1.00 0.00 O ATOM 0 H GLY A 123 4.901 33.271 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 123 3.347 34.559 -7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.415 33.127 -7.382 1.00 0.00 H new ATOM 1883 N PRO A 124 2.863 34.021 -5.008 1.00 0.00 N ATOM 1884 CA PRO A 124 3.112 34.182 -3.573 1.00 0.00 C ATOM 1885 C PRO A 124 3.417 32.856 -2.885 1.00 0.00 C ATOM 1886 O PRO A 124 3.369 31.797 -3.510 1.00 0.00 O ATOM 1887 CB PRO A 124 1.798 34.766 -3.048 1.00 0.00 C ATOM 1888 CG PRO A 124 0.766 34.312 -4.022 1.00 0.00 C ATOM 1889 CD PRO A 124 1.452 34.259 -5.358 1.00 0.00 C ATOM 0 HA PRO A 124 3.982 34.810 -3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 124 1.579 34.407 -2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.841 35.854 -2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.373 33.333 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -0.079 35.000 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 124 1.053 33.460 -5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.327 35.190 -5.911 1.00 0.00 H new ATOM 1897 N SER A 125 3.731 32.922 -1.595 1.00 0.00 N ATOM 1898 CA SER A 125 4.048 31.726 -0.823 1.00 0.00 C ATOM 1899 C SER A 125 2.880 31.336 0.077 1.00 0.00 C ATOM 1900 O SER A 125 2.603 32.000 1.076 1.00 0.00 O ATOM 1901 CB SER A 125 5.303 31.956 0.021 1.00 0.00 C ATOM 1902 OG SER A 125 6.476 31.805 -0.759 1.00 0.00 O ATOM 0 H SER A 125 3.773 33.791 -1.062 1.00 0.00 H new ATOM 0 HA SER A 125 4.234 30.910 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.276 32.956 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.321 31.250 0.851 1.00 0.00 H new ATOM 0 HG SER A 125 7.264 31.959 -0.197 1.00 0.00 H new ATOM 1908 N SER A 126 2.198 30.253 -0.284 1.00 0.00 N ATOM 1909 CA SER A 126 1.058 29.775 0.489 1.00 0.00 C ATOM 1910 C SER A 126 1.500 29.283 1.863 1.00 0.00 C ATOM 1911 O SER A 126 2.688 29.077 2.109 1.00 0.00 O ATOM 1912 CB SER A 126 0.342 28.650 -0.262 1.00 0.00 C ATOM 1913 OG SER A 126 -0.773 28.175 0.473 1.00 0.00 O ATOM 0 H SER A 126 2.415 29.691 -1.107 1.00 0.00 H new ATOM 0 HA SER A 126 0.369 30.608 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 126 0.012 29.011 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 126 1.037 27.830 -0.445 1.00 0.00 H new ATOM 0 HG SER A 126 -1.214 27.458 -0.029 1.00 0.00 H new ATOM 1919 N GLY A 127 0.534 29.097 2.758 1.00 0.00 N ATOM 1920 CA GLY A 127 0.842 28.632 4.097 1.00 0.00 C ATOM 1921 C GLY A 127 0.999 29.771 5.085 1.00 0.00 C ATOM 1922 O GLY A 127 0.017 30.398 5.480 1.00 0.00 O ATOM 0 H GLY A 127 -0.457 29.260 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.049 27.966 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.761 28.047 4.073 1.00 0.00 H new TER 1926 GLY A 127