USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 961 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 86:sc= -0.53 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -2.59! C(o=-3.1!,f=-4.7!) USER MOD Set 2.1: A 19 GLN : amide:sc= 0.195 X(o=0.39,f=-0.0049) USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0.194 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 12:sc= 0.349 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-3.3!) USER MOD Single : A 27 MET CE :methyl -141:sc= -2.26 (180deg=-3.88) USER MOD Single : A 28 THR OG1 : rot 180:sc=0.000978 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.8! C(o=-1.8!,f=-1.1!) USER MOD Single : A 34 CYS SG : rot -160:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.2!) USER MOD Single : A 44 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.16) USER MOD Single : A 45 THR OG1 : rot -150:sc= -1.14 USER MOD Single : A 46 GLN : amide:sc= 0.103 K(o=0.1,f=-0.69) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.19 K(o=-2.2,f=-3.5!) USER MOD Single : A 56 THR OG1 : rot 82:sc= 1.01 USER MOD Single : A 58 GLN : amide:sc= -2.8! K(o=-2.8!,f=-0.069) USER MOD Single : A 63 ASN : amide:sc= -5.06! C(o=-5.1!,f=-2.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.52! X(o=-2.5!,f=-2.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -5.14! C(o=-5.1!,f=-3.5!) USER MOD Single : A 81 TYR OH : rot -107:sc= 0.355 USER MOD Single : A 82 ASN : amide:sc= -7.3! C(o=-7.3!,f=-6.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-0.53) USER MOD Single : A 93 SER OG : rot 180:sc=-0.00196 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -3.13 K(o=-3.1,f=-1.3) USER MOD Single : A 102 ASN : amide:sc= -3.24! C(o=-3.2!,f=-9.1!) USER MOD Single : A 106 TYR OH : rot -83:sc= 0.587 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.850 17.273 -7.631 1.00 0.00 N ATOM 2 CA GLY A 1 -11.782 16.567 -8.315 1.00 0.00 C ATOM 3 C GLY A 1 -12.300 15.451 -9.200 1.00 0.00 C ATOM 4 O GLY A 1 -11.964 14.284 -9.000 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.445 18.026 -7.039 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.494 17.692 -8.332 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.378 16.607 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.213 17.273 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.094 16.153 -7.578 1.00 0.00 H new ATOM 8 N SER A 2 -13.121 15.810 -10.182 1.00 0.00 N ATOM 9 CA SER A 2 -13.691 14.829 -11.099 1.00 0.00 C ATOM 10 C SER A 2 -12.953 14.840 -12.434 1.00 0.00 C ATOM 11 O SER A 2 -13.022 15.813 -13.185 1.00 0.00 O ATOM 12 CB SER A 2 -15.178 15.112 -11.322 1.00 0.00 C ATOM 13 OG SER A 2 -15.946 14.718 -10.199 1.00 0.00 O ATOM 0 H SER A 2 -13.406 16.772 -10.363 1.00 0.00 H new ATOM 0 HA SER A 2 -13.580 13.842 -10.651 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.325 16.175 -11.512 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.524 14.579 -12.208 1.00 0.00 H new ATOM 0 HG SER A 2 -16.892 14.911 -10.366 1.00 0.00 H new ATOM 19 N SER A 3 -12.246 13.752 -12.721 1.00 0.00 N ATOM 20 CA SER A 3 -11.492 13.637 -13.964 1.00 0.00 C ATOM 21 C SER A 3 -11.393 12.180 -14.407 1.00 0.00 C ATOM 22 O SER A 3 -10.911 11.325 -13.665 1.00 0.00 O ATOM 23 CB SER A 3 -10.090 14.224 -13.790 1.00 0.00 C ATOM 24 OG SER A 3 -10.126 15.641 -13.801 1.00 0.00 O ATOM 0 H SER A 3 -12.179 12.938 -12.110 1.00 0.00 H new ATOM 0 HA SER A 3 -12.021 14.198 -14.734 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.660 13.875 -12.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.441 13.867 -14.590 1.00 0.00 H new ATOM 0 HG SER A 3 -11.054 15.945 -13.724 1.00 0.00 H new ATOM 30 N GLY A 4 -11.854 11.905 -15.623 1.00 0.00 N ATOM 31 CA GLY A 4 -11.810 10.551 -16.145 1.00 0.00 C ATOM 32 C GLY A 4 -12.723 10.361 -17.340 1.00 0.00 C ATOM 33 O GLY A 4 -13.743 9.679 -17.247 1.00 0.00 O ATOM 0 H GLY A 4 -12.257 12.595 -16.256 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.787 10.308 -16.431 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.095 9.852 -15.359 1.00 0.00 H new ATOM 37 N SER A 5 -12.356 10.965 -18.465 1.00 0.00 N ATOM 38 CA SER A 5 -13.153 10.863 -19.682 1.00 0.00 C ATOM 39 C SER A 5 -12.419 10.052 -20.745 1.00 0.00 C ATOM 40 O SER A 5 -11.754 10.609 -21.619 1.00 0.00 O ATOM 41 CB SER A 5 -13.478 12.257 -20.223 1.00 0.00 C ATOM 42 OG SER A 5 -14.174 13.028 -19.259 1.00 0.00 O ATOM 0 H SER A 5 -11.512 11.530 -18.559 1.00 0.00 H new ATOM 0 HA SER A 5 -14.083 10.351 -19.436 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.556 12.766 -20.504 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.081 12.168 -21.127 1.00 0.00 H new ATOM 0 HG SER A 5 -14.369 13.915 -19.628 1.00 0.00 H new ATOM 48 N SER A 6 -12.544 8.731 -20.664 1.00 0.00 N ATOM 49 CA SER A 6 -11.890 7.841 -21.616 1.00 0.00 C ATOM 50 C SER A 6 -12.920 7.086 -22.451 1.00 0.00 C ATOM 51 O SER A 6 -13.759 6.362 -21.916 1.00 0.00 O ATOM 52 CB SER A 6 -10.987 6.849 -20.881 1.00 0.00 C ATOM 53 OG SER A 6 -9.960 6.367 -21.731 1.00 0.00 O ATOM 0 H SER A 6 -13.092 8.254 -19.949 1.00 0.00 H new ATOM 0 HA SER A 6 -11.281 8.449 -22.285 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.545 7.332 -20.009 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.583 6.013 -20.515 1.00 0.00 H new ATOM 0 HG SER A 6 -9.396 5.736 -21.237 1.00 0.00 H new ATOM 59 N GLY A 7 -12.851 7.263 -23.767 1.00 0.00 N ATOM 60 CA GLY A 7 -13.782 6.593 -24.655 1.00 0.00 C ATOM 61 C GLY A 7 -13.217 5.307 -25.225 1.00 0.00 C ATOM 62 O GLY A 7 -12.704 4.467 -24.487 1.00 0.00 O ATOM 0 H GLY A 7 -12.167 7.859 -24.234 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.702 6.373 -24.113 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.046 7.264 -25.472 1.00 0.00 H new ATOM 66 N GLU A 8 -13.313 5.153 -26.542 1.00 0.00 N ATOM 67 CA GLU A 8 -12.809 3.958 -27.210 1.00 0.00 C ATOM 68 C GLU A 8 -11.323 3.763 -26.926 1.00 0.00 C ATOM 69 O GLU A 8 -10.568 4.730 -26.826 1.00 0.00 O ATOM 70 CB GLU A 8 -13.044 4.052 -28.719 1.00 0.00 C ATOM 71 CG GLU A 8 -14.505 3.920 -29.117 1.00 0.00 C ATOM 72 CD GLU A 8 -14.912 2.481 -29.368 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.397 1.586 -28.667 1.00 0.00 O ATOM 74 OE2 GLU A 8 -15.748 2.250 -30.268 1.00 0.00 O ATOM 0 H GLU A 8 -13.735 5.840 -27.167 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.352 3.098 -26.819 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.663 5.008 -29.079 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.469 3.272 -29.217 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.132 4.339 -28.330 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.687 4.508 -30.017 1.00 0.00 H new ATOM 81 N GLU A 9 -10.911 2.505 -26.798 1.00 0.00 N ATOM 82 CA GLU A 9 -9.515 2.184 -26.525 1.00 0.00 C ATOM 83 C GLU A 9 -9.075 2.766 -25.185 1.00 0.00 C ATOM 84 O GLU A 9 -8.015 3.381 -25.065 1.00 0.00 O ATOM 85 CB GLU A 9 -8.617 2.715 -27.645 1.00 0.00 C ATOM 86 CG GLU A 9 -8.396 1.721 -28.772 1.00 0.00 C ATOM 87 CD GLU A 9 -7.448 2.244 -29.833 1.00 0.00 C ATOM 88 OE1 GLU A 9 -6.220 2.128 -29.641 1.00 0.00 O ATOM 89 OE2 GLU A 9 -7.935 2.768 -30.857 1.00 0.00 O ATOM 0 H GLU A 9 -11.523 1.693 -26.879 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.421 1.099 -26.478 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.060 3.623 -28.055 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.651 2.994 -27.223 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.999 0.793 -28.360 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.354 1.481 -29.233 1.00 0.00 H new ATOM 96 N PRO A 10 -9.907 2.568 -24.153 1.00 0.00 N ATOM 97 CA PRO A 10 -9.626 3.065 -22.802 1.00 0.00 C ATOM 98 C PRO A 10 -8.470 2.322 -22.140 1.00 0.00 C ATOM 99 O PRO A 10 -8.534 1.110 -21.939 1.00 0.00 O ATOM 100 CB PRO A 10 -10.932 2.804 -22.049 1.00 0.00 C ATOM 101 CG PRO A 10 -11.571 1.673 -22.779 1.00 0.00 C ATOM 102 CD PRO A 10 -11.187 1.844 -24.223 1.00 0.00 C ATOM 0 HA PRO A 10 -9.324 4.112 -22.807 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.743 2.546 -21.007 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.572 3.687 -22.048 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.224 0.714 -22.394 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.654 1.692 -22.658 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.078 0.883 -24.726 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.939 2.409 -24.774 1.00 0.00 H new ATOM 110 N SER A 11 -7.416 3.058 -21.803 1.00 0.00 N ATOM 111 CA SER A 11 -6.244 2.467 -21.166 1.00 0.00 C ATOM 112 C SER A 11 -5.289 3.551 -20.675 1.00 0.00 C ATOM 113 O SER A 11 -4.964 4.485 -21.406 1.00 0.00 O ATOM 114 CB SER A 11 -5.521 1.538 -22.142 1.00 0.00 C ATOM 115 OG SER A 11 -4.329 1.027 -21.572 1.00 0.00 O ATOM 0 H SER A 11 -7.349 4.064 -21.960 1.00 0.00 H new ATOM 0 HA SER A 11 -6.581 1.887 -20.307 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.178 0.713 -22.418 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.286 2.080 -23.058 1.00 0.00 H new ATOM 0 HG SER A 11 -3.887 0.435 -22.215 1.00 0.00 H new ATOM 121 N GLY A 12 -4.843 3.417 -19.430 1.00 0.00 N ATOM 122 CA GLY A 12 -3.929 4.391 -18.861 1.00 0.00 C ATOM 123 C GLY A 12 -3.810 4.263 -17.355 1.00 0.00 C ATOM 124 O GLY A 12 -4.754 3.847 -16.683 1.00 0.00 O ATOM 0 H GLY A 12 -5.098 2.652 -18.805 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.944 4.268 -19.312 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.271 5.395 -19.111 1.00 0.00 H new ATOM 128 N VAL A 13 -2.646 4.622 -16.822 1.00 0.00 N ATOM 129 CA VAL A 13 -2.406 4.545 -15.386 1.00 0.00 C ATOM 130 C VAL A 13 -3.644 4.961 -14.600 1.00 0.00 C ATOM 131 O VAL A 13 -4.180 4.184 -13.811 1.00 0.00 O ATOM 132 CB VAL A 13 -1.221 5.434 -14.967 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.001 5.357 -13.464 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.039 5.033 -15.720 1.00 0.00 C ATOM 0 H VAL A 13 -1.854 4.969 -17.364 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.168 3.506 -15.159 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.456 6.467 -15.223 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.159 5.992 -13.186 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.898 5.697 -12.947 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.787 4.327 -13.180 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.866 5.672 -15.411 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.281 3.994 -15.498 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.126 5.146 -16.792 1.00 0.00 H new ATOM 144 N GLU A 14 -4.092 6.193 -14.820 1.00 0.00 N ATOM 145 CA GLU A 14 -5.267 6.713 -14.131 1.00 0.00 C ATOM 146 C GLU A 14 -6.481 5.822 -14.377 1.00 0.00 C ATOM 147 O GLU A 14 -7.189 5.447 -13.444 1.00 0.00 O ATOM 148 CB GLU A 14 -5.566 8.141 -14.593 1.00 0.00 C ATOM 149 CG GLU A 14 -4.440 9.121 -14.309 1.00 0.00 C ATOM 150 CD GLU A 14 -4.648 10.461 -14.989 1.00 0.00 C ATOM 151 OE1 GLU A 14 -5.225 10.480 -16.096 1.00 0.00 O ATOM 152 OE2 GLU A 14 -4.234 11.489 -14.414 1.00 0.00 O ATOM 0 H GLU A 14 -3.659 6.849 -15.470 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.055 6.722 -13.062 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.767 8.133 -15.664 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.473 8.491 -14.101 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.358 9.273 -13.233 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.496 8.691 -14.643 1.00 0.00 H new ATOM 159 N GLY A 15 -6.715 5.487 -15.642 1.00 0.00 N ATOM 160 CA GLY A 15 -7.843 4.643 -15.990 1.00 0.00 C ATOM 161 C GLY A 15 -8.041 3.506 -15.007 1.00 0.00 C ATOM 162 O GLY A 15 -9.150 3.283 -14.521 1.00 0.00 O ATOM 0 H GLY A 15 -6.143 5.785 -16.432 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.748 5.249 -16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.692 4.234 -16.989 1.00 0.00 H new ATOM 166 N ALA A 16 -6.965 2.784 -14.715 1.00 0.00 N ATOM 167 CA ALA A 16 -7.025 1.665 -13.784 1.00 0.00 C ATOM 168 C ALA A 16 -7.849 2.020 -12.551 1.00 0.00 C ATOM 169 O ALA A 16 -8.811 1.330 -12.215 1.00 0.00 O ATOM 170 CB ALA A 16 -5.622 1.239 -13.378 1.00 0.00 C ATOM 0 H ALA A 16 -6.040 2.954 -15.110 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.514 0.832 -14.288 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.683 0.402 -12.682 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.064 0.935 -14.263 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.113 2.074 -12.897 1.00 0.00 H new ATOM 176 N ALA A 17 -7.465 3.100 -11.879 1.00 0.00 N ATOM 177 CA ALA A 17 -8.169 3.548 -10.684 1.00 0.00 C ATOM 178 C ALA A 17 -9.668 3.297 -10.804 1.00 0.00 C ATOM 179 O ALA A 17 -10.345 3.030 -9.811 1.00 0.00 O ATOM 180 CB ALA A 17 -7.897 5.023 -10.432 1.00 0.00 C ATOM 0 H ALA A 17 -6.669 3.681 -12.142 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.797 2.972 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.429 5.343 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.827 5.177 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.239 5.607 -11.286 1.00 0.00 H new ATOM 186 N PHE A 18 -10.182 3.386 -12.026 1.00 0.00 N ATOM 187 CA PHE A 18 -11.603 3.171 -12.276 1.00 0.00 C ATOM 188 C PHE A 18 -12.106 1.940 -11.528 1.00 0.00 C ATOM 189 O PHE A 18 -13.084 2.010 -10.784 1.00 0.00 O ATOM 190 CB PHE A 18 -11.860 3.011 -13.775 1.00 0.00 C ATOM 191 CG PHE A 18 -13.217 2.450 -14.094 1.00 0.00 C ATOM 192 CD1 PHE A 18 -13.462 1.091 -13.984 1.00 0.00 C ATOM 193 CD2 PHE A 18 -14.246 3.282 -14.505 1.00 0.00 C ATOM 194 CE1 PHE A 18 -14.709 0.571 -14.276 1.00 0.00 C ATOM 195 CE2 PHE A 18 -15.495 2.768 -14.798 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.726 1.411 -14.685 1.00 0.00 C ATOM 0 H PHE A 18 -9.636 3.606 -12.859 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.147 4.043 -11.912 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.754 3.982 -14.259 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.097 2.358 -14.199 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.669 0.430 -13.666 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.070 4.344 -14.597 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.888 -0.490 -14.184 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -16.290 3.427 -15.115 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.701 1.007 -14.916 1.00 0.00 H new ATOM 206 N GLN A 19 -11.429 0.814 -11.732 1.00 0.00 N ATOM 207 CA GLN A 19 -11.808 -0.433 -11.078 1.00 0.00 C ATOM 208 C GLN A 19 -12.167 -0.194 -9.615 1.00 0.00 C ATOM 209 O GLN A 19 -12.998 -0.902 -9.046 1.00 0.00 O ATOM 210 CB GLN A 19 -10.671 -1.451 -11.177 1.00 0.00 C ATOM 211 CG GLN A 19 -9.452 -1.084 -10.345 1.00 0.00 C ATOM 212 CD GLN A 19 -8.690 -2.301 -9.858 1.00 0.00 C ATOM 213 OE1 GLN A 19 -8.156 -3.073 -10.655 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.636 -2.478 -8.543 1.00 0.00 N ATOM 0 H GLN A 19 -10.616 0.740 -12.344 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.686 -0.829 -11.588 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.039 -2.426 -10.857 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.372 -1.549 -12.221 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.787 -0.457 -10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.768 -0.490 -9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.093 -1.813 -7.920 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.137 -3.279 -8.156 1.00 0.00 H new ATOM 223 N SER A 20 -11.535 0.807 -9.012 1.00 0.00 N ATOM 224 CA SER A 20 -11.785 1.137 -7.614 1.00 0.00 C ATOM 225 C SER A 20 -12.444 2.508 -7.488 1.00 0.00 C ATOM 226 O SER A 20 -12.115 3.437 -8.227 1.00 0.00 O ATOM 227 CB SER A 20 -10.477 1.113 -6.821 1.00 0.00 C ATOM 228 OG SER A 20 -9.936 -0.196 -6.769 1.00 0.00 O ATOM 0 H SER A 20 -10.846 1.404 -9.470 1.00 0.00 H new ATOM 0 HA SER A 20 -12.464 0.388 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.757 1.790 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.655 1.477 -5.809 1.00 0.00 H new ATOM 0 HG SER A 20 -9.100 -0.184 -6.258 1.00 0.00 H new ATOM 234 N ARG A 21 -13.375 2.626 -6.548 1.00 0.00 N ATOM 235 CA ARG A 21 -14.082 3.881 -6.326 1.00 0.00 C ATOM 236 C ARG A 21 -13.261 4.818 -5.443 1.00 0.00 C ATOM 237 O ARG A 21 -13.531 4.958 -4.249 1.00 0.00 O ATOM 238 CB ARG A 21 -15.443 3.618 -5.680 1.00 0.00 C ATOM 239 CG ARG A 21 -16.510 3.175 -6.669 1.00 0.00 C ATOM 240 CD ARG A 21 -17.899 3.238 -6.054 1.00 0.00 C ATOM 241 NE ARG A 21 -18.092 2.212 -5.032 1.00 0.00 N ATOM 242 CZ ARG A 21 -18.983 2.311 -4.051 1.00 0.00 C ATOM 243 NH1 ARG A 21 -19.758 3.382 -3.960 1.00 0.00 N ATOM 244 NH2 ARG A 21 -19.099 1.336 -3.159 1.00 0.00 N ATOM 0 H ARG A 21 -13.658 1.867 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.233 4.359 -7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.330 2.852 -4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.779 4.525 -5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.474 3.810 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.302 2.157 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.056 4.223 -5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.648 3.116 -6.837 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.511 1.374 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.672 4.134 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.441 3.455 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.504 0.510 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.783 1.412 -2.406 1.00 0.00 H new ATOM 258 N LEU A 22 -12.259 5.456 -6.037 1.00 0.00 N ATOM 259 CA LEU A 22 -11.399 6.379 -5.305 1.00 0.00 C ATOM 260 C LEU A 22 -10.613 7.267 -6.264 1.00 0.00 C ATOM 261 O LEU A 22 -10.256 6.864 -7.372 1.00 0.00 O ATOM 262 CB LEU A 22 -10.435 5.604 -4.405 1.00 0.00 C ATOM 263 CG LEU A 22 -9.282 4.890 -5.112 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.074 5.807 -5.220 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.918 3.608 -4.378 1.00 0.00 C ATOM 0 H LEU A 22 -12.022 5.351 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.033 7.014 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.014 6.297 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.007 4.863 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.605 4.628 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.263 5.283 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.342 6.696 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.749 6.100 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.096 3.113 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.614 3.846 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.783 2.945 -4.354 1.00 0.00 H new ATOM 277 N PRO A 23 -10.334 8.505 -5.831 1.00 0.00 N ATOM 278 CA PRO A 23 -9.585 9.476 -6.634 1.00 0.00 C ATOM 279 C PRO A 23 -8.117 9.093 -6.786 1.00 0.00 C ATOM 280 O PRO A 23 -7.524 8.498 -5.885 1.00 0.00 O ATOM 281 CB PRO A 23 -9.719 10.776 -5.837 1.00 0.00 C ATOM 282 CG PRO A 23 -9.949 10.336 -4.432 1.00 0.00 C ATOM 283 CD PRO A 23 -10.729 9.053 -4.522 1.00 0.00 C ATOM 0 HA PRO A 23 -9.968 9.544 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.819 11.385 -5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.548 11.381 -6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.004 10.182 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.502 11.090 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.478 8.372 -3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.803 9.231 -4.468 1.00 0.00 H new ATOM 291 N HIS A 24 -7.535 9.437 -7.930 1.00 0.00 N ATOM 292 CA HIS A 24 -6.135 9.130 -8.199 1.00 0.00 C ATOM 293 C HIS A 24 -5.246 10.330 -7.887 1.00 0.00 C ATOM 294 O HIS A 24 -4.065 10.176 -7.576 1.00 0.00 O ATOM 295 CB HIS A 24 -5.953 8.711 -9.658 1.00 0.00 C ATOM 296 CG HIS A 24 -5.676 9.858 -10.580 1.00 0.00 C ATOM 297 ND1 HIS A 24 -4.404 10.211 -10.980 1.00 0.00 N ATOM 298 CD2 HIS A 24 -6.515 10.732 -11.183 1.00 0.00 C ATOM 299 CE1 HIS A 24 -4.473 11.254 -11.788 1.00 0.00 C ATOM 300 NE2 HIS A 24 -5.743 11.590 -11.928 1.00 0.00 N ATOM 0 H HIS A 24 -8.011 9.929 -8.686 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.840 8.303 -7.553 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.132 7.997 -9.723 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.852 8.194 -9.994 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.591 10.751 -11.095 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.634 11.748 -12.255 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.093 12.361 -12.497 1.00 0.00 H new ATOM 309 N ASP A 25 -5.821 11.525 -7.975 1.00 0.00 N ATOM 310 CA ASP A 25 -5.081 12.751 -7.702 1.00 0.00 C ATOM 311 C ASP A 25 -4.904 12.957 -6.201 1.00 0.00 C ATOM 312 O ASP A 25 -3.934 13.573 -5.759 1.00 0.00 O ATOM 313 CB ASP A 25 -5.803 13.954 -8.312 1.00 0.00 C ATOM 314 CG ASP A 25 -5.030 15.245 -8.132 1.00 0.00 C ATOM 315 OD1 ASP A 25 -3.829 15.270 -8.472 1.00 0.00 O ATOM 316 OD2 ASP A 25 -5.626 16.232 -7.650 1.00 0.00 O ATOM 0 H ASP A 25 -6.797 11.670 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.095 12.659 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.965 13.776 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.786 14.055 -7.852 1.00 0.00 H new ATOM 321 N ARG A 26 -5.847 12.437 -5.422 1.00 0.00 N ATOM 322 CA ARG A 26 -5.796 12.566 -3.971 1.00 0.00 C ATOM 323 C ARG A 26 -5.961 11.206 -3.299 1.00 0.00 C ATOM 324 O ARG A 26 -6.332 10.225 -3.943 1.00 0.00 O ATOM 325 CB ARG A 26 -6.885 13.523 -3.484 1.00 0.00 C ATOM 326 CG ARG A 26 -8.289 13.107 -3.892 1.00 0.00 C ATOM 327 CD ARG A 26 -9.328 14.107 -3.411 1.00 0.00 C ATOM 328 NE ARG A 26 -9.386 14.178 -1.953 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.396 14.722 -1.283 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.428 15.238 -1.937 1.00 0.00 N ATOM 331 NH2 ARG A 26 -10.376 14.749 0.043 1.00 0.00 N ATOM 0 H ARG A 26 -6.655 11.923 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.820 12.970 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.837 13.592 -2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.682 14.520 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.343 13.019 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.512 12.123 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.095 15.093 -3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.307 13.827 -3.800 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.608 13.789 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.447 15.218 -2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.202 15.655 -1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.585 14.352 0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.152 15.167 0.556 1.00 0.00 H new ATOM 345 N MET A 27 -5.683 11.156 -2.000 1.00 0.00 N ATOM 346 CA MET A 27 -5.801 9.917 -1.241 1.00 0.00 C ATOM 347 C MET A 27 -7.119 9.873 -0.474 1.00 0.00 C ATOM 348 O MET A 27 -7.712 10.911 -0.177 1.00 0.00 O ATOM 349 CB MET A 27 -4.628 9.775 -0.269 1.00 0.00 C ATOM 350 CG MET A 27 -3.269 9.942 -0.929 1.00 0.00 C ATOM 351 SD MET A 27 -1.952 10.257 0.262 1.00 0.00 S ATOM 352 CE MET A 27 -1.872 8.678 1.103 1.00 0.00 C ATOM 0 H MET A 27 -5.375 11.959 -1.452 1.00 0.00 H new ATOM 0 HA MET A 27 -5.782 9.086 -1.946 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.732 10.516 0.523 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.675 8.794 0.204 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.032 9.042 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.314 10.766 -1.641 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.706 8.841 2.168 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.810 8.141 0.960 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.051 8.089 0.694 1.00 0.00 H new ATOM 362 N THR A 28 -7.574 8.665 -0.157 1.00 0.00 N ATOM 363 CA THR A 28 -8.823 8.486 0.574 1.00 0.00 C ATOM 364 C THR A 28 -8.561 8.172 2.042 1.00 0.00 C ATOM 365 O THR A 28 -7.422 7.926 2.441 1.00 0.00 O ATOM 366 CB THR A 28 -9.674 7.356 -0.037 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.866 6.193 -0.247 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.291 7.797 -1.356 1.00 0.00 C ATOM 0 H THR A 28 -7.096 7.796 -0.395 1.00 0.00 H new ATOM 0 HA THR A 28 -9.371 9.425 0.499 1.00 0.00 H new ATOM 0 HB THR A 28 -10.477 7.118 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.415 5.479 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.887 6.983 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.929 8.665 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.500 8.059 -2.058 1.00 0.00 H new ATOM 376 N SER A 29 -9.621 8.181 2.843 1.00 0.00 N ATOM 377 CA SER A 29 -9.505 7.900 4.269 1.00 0.00 C ATOM 378 C SER A 29 -8.441 6.837 4.528 1.00 0.00 C ATOM 379 O SER A 29 -7.510 7.053 5.304 1.00 0.00 O ATOM 380 CB SER A 29 -10.851 7.439 4.831 1.00 0.00 C ATOM 381 OG SER A 29 -11.865 8.394 4.574 1.00 0.00 O ATOM 0 H SER A 29 -10.571 8.380 2.529 1.00 0.00 H new ATOM 0 HA SER A 29 -9.206 8.819 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.126 6.483 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.764 7.277 5.905 1.00 0.00 H new ATOM 0 HG SER A 29 -12.716 8.075 4.942 1.00 0.00 H new ATOM 387 N GLN A 30 -8.588 5.690 3.873 1.00 0.00 N ATOM 388 CA GLN A 30 -7.641 4.593 4.033 1.00 0.00 C ATOM 389 C GLN A 30 -6.235 5.025 3.630 1.00 0.00 C ATOM 390 O GLN A 30 -5.356 5.178 4.477 1.00 0.00 O ATOM 391 CB GLN A 30 -8.077 3.389 3.197 1.00 0.00 C ATOM 392 CG GLN A 30 -7.659 2.053 3.790 1.00 0.00 C ATOM 393 CD GLN A 30 -7.800 2.015 5.299 1.00 0.00 C ATOM 394 OE1 GLN A 30 -8.826 1.587 5.828 1.00 0.00 O ATOM 395 NE2 GLN A 30 -6.766 2.464 6.002 1.00 0.00 N ATOM 0 H GLN A 30 -9.353 5.496 3.227 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.626 4.309 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.162 3.406 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.656 3.481 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.265 1.260 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.623 1.848 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.935 2.810 5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.803 2.463 7.021 1.00 0.00 H new ATOM 404 N GLU A 31 -6.031 5.219 2.331 1.00 0.00 N ATOM 405 CA GLU A 31 -4.730 5.632 1.816 1.00 0.00 C ATOM 406 C GLU A 31 -4.062 6.626 2.761 1.00 0.00 C ATOM 407 O GLU A 31 -2.849 6.586 2.965 1.00 0.00 O ATOM 408 CB GLU A 31 -4.881 6.255 0.426 1.00 0.00 C ATOM 409 CG GLU A 31 -5.331 5.268 -0.638 1.00 0.00 C ATOM 410 CD GLU A 31 -4.230 4.309 -1.046 1.00 0.00 C ATOM 411 OE1 GLU A 31 -3.861 3.443 -0.225 1.00 0.00 O ATOM 412 OE2 GLU A 31 -3.737 4.424 -2.188 1.00 0.00 O ATOM 0 H GLU A 31 -6.749 5.097 1.617 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.099 4.746 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.601 7.072 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.927 6.690 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.183 4.700 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.674 5.816 -1.515 1.00 0.00 H new ATOM 419 N ALA A 32 -4.862 7.519 3.334 1.00 0.00 N ATOM 420 CA ALA A 32 -4.350 8.523 4.259 1.00 0.00 C ATOM 421 C ALA A 32 -3.855 7.879 5.549 1.00 0.00 C ATOM 422 O ALA A 32 -2.807 8.251 6.078 1.00 0.00 O ATOM 423 CB ALA A 32 -5.422 9.558 4.561 1.00 0.00 C ATOM 0 H ALA A 32 -5.868 7.568 3.174 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.504 9.021 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.026 10.301 5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.725 10.049 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.285 9.067 5.011 1.00 0.00 H new ATOM 429 N ALA A 33 -4.615 6.912 6.052 1.00 0.00 N ATOM 430 CA ALA A 33 -4.253 6.215 7.280 1.00 0.00 C ATOM 431 C ALA A 33 -3.056 5.296 7.057 1.00 0.00 C ATOM 432 O ALA A 33 -2.145 5.237 7.884 1.00 0.00 O ATOM 433 CB ALA A 33 -5.439 5.422 7.807 1.00 0.00 C ATOM 0 H ALA A 33 -5.486 6.593 5.628 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.971 6.962 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.154 4.907 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.267 6.100 8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.748 4.690 7.061 1.00 0.00 H new ATOM 439 N CYS A 34 -3.065 4.582 5.938 1.00 0.00 N ATOM 440 CA CYS A 34 -1.981 3.664 5.608 1.00 0.00 C ATOM 441 C CYS A 34 -0.682 4.424 5.359 1.00 0.00 C ATOM 442 O CYS A 34 0.396 3.976 5.750 1.00 0.00 O ATOM 443 CB CYS A 34 -2.344 2.834 4.375 1.00 0.00 C ATOM 444 SG CYS A 34 -3.195 1.284 4.753 1.00 0.00 S ATOM 0 H CYS A 34 -3.811 4.621 5.243 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.834 2.996 6.456 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.977 3.433 3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.433 2.610 3.820 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.089 0.473 3.742 1.00 0.00 H new ATOM 450 N PHE A 35 -0.792 5.576 4.706 1.00 0.00 N ATOM 451 CA PHE A 35 0.373 6.398 4.403 1.00 0.00 C ATOM 452 C PHE A 35 0.186 7.820 4.921 1.00 0.00 C ATOM 453 O PHE A 35 -0.294 8.707 4.216 1.00 0.00 O ATOM 454 CB PHE A 35 0.628 6.422 2.894 1.00 0.00 C ATOM 455 CG PHE A 35 0.720 5.055 2.279 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.417 4.284 2.099 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.944 4.541 1.881 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.335 3.025 1.535 1.00 0.00 C ATOM 459 CE2 PHE A 35 2.032 3.283 1.315 1.00 0.00 C ATOM 460 CZ PHE A 35 0.891 2.525 1.141 1.00 0.00 C ATOM 0 H PHE A 35 -1.677 5.961 4.376 1.00 0.00 H new ATOM 0 HA PHE A 35 1.236 5.959 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.174 6.977 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.554 6.962 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.378 4.671 2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.839 5.130 2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.228 2.433 1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.992 2.894 1.009 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.957 1.543 0.697 1.00 0.00 H new ATOM 470 N PRO A 36 0.574 8.044 6.186 1.00 0.00 N ATOM 471 CA PRO A 36 0.459 9.357 6.828 1.00 0.00 C ATOM 472 C PRO A 36 1.433 10.375 6.246 1.00 0.00 C ATOM 473 O PRO A 36 1.072 11.527 6.006 1.00 0.00 O ATOM 474 CB PRO A 36 0.800 9.067 8.292 1.00 0.00 C ATOM 475 CG PRO A 36 1.655 7.847 8.246 1.00 0.00 C ATOM 476 CD PRO A 36 1.155 7.034 7.085 1.00 0.00 C ATOM 0 HA PRO A 36 -0.529 9.795 6.685 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.328 9.904 8.749 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.100 8.898 8.882 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.704 8.111 8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.582 7.284 9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.963 6.484 6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.412 6.300 7.398 1.00 0.00 H new ATOM 484 N ASP A 37 2.668 9.943 6.020 1.00 0.00 N ATOM 485 CA ASP A 37 3.695 10.816 5.463 1.00 0.00 C ATOM 486 C ASP A 37 3.275 11.345 4.095 1.00 0.00 C ATOM 487 O ASP A 37 3.515 12.507 3.768 1.00 0.00 O ATOM 488 CB ASP A 37 5.024 10.069 5.349 1.00 0.00 C ATOM 489 CG ASP A 37 5.357 9.285 6.603 1.00 0.00 C ATOM 490 OD1 ASP A 37 4.593 8.357 6.944 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.382 9.598 7.244 1.00 0.00 O ATOM 0 H ASP A 37 2.983 8.992 6.214 1.00 0.00 H new ATOM 0 HA ASP A 37 3.821 11.663 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.983 9.388 4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.823 10.783 5.148 1.00 0.00 H new ATOM 496 N ILE A 38 2.649 10.483 3.300 1.00 0.00 N ATOM 497 CA ILE A 38 2.196 10.864 1.968 1.00 0.00 C ATOM 498 C ILE A 38 1.098 11.919 2.041 1.00 0.00 C ATOM 499 O ILE A 38 1.206 12.985 1.435 1.00 0.00 O ATOM 500 CB ILE A 38 1.672 9.647 1.183 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.764 8.581 1.064 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.190 10.074 -0.196 1.00 0.00 C ATOM 503 CD1 ILE A 38 3.987 9.049 0.308 1.00 0.00 C ATOM 0 H ILE A 38 2.444 9.517 3.555 1.00 0.00 H new ATOM 0 HA ILE A 38 3.059 11.278 1.447 1.00 0.00 H new ATOM 0 HB ILE A 38 0.829 9.219 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.063 8.266 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.352 7.705 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.823 9.203 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.386 10.802 -0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.016 10.523 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.718 8.242 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.701 9.336 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.424 9.907 0.819 1.00 0.00 H new ATOM 515 N ILE A 39 0.042 11.615 2.787 1.00 0.00 N ATOM 516 CA ILE A 39 -1.075 12.538 2.942 1.00 0.00 C ATOM 517 C ILE A 39 -0.619 13.854 3.562 1.00 0.00 C ATOM 518 O ILE A 39 -1.125 14.923 3.220 1.00 0.00 O ATOM 519 CB ILE A 39 -2.190 11.932 3.814 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.401 12.867 3.856 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.675 11.661 5.220 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.142 12.955 2.541 1.00 0.00 C ATOM 0 H ILE A 39 -0.064 10.736 3.294 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.469 12.727 1.943 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.501 10.985 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.089 12.523 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.070 13.865 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.475 11.233 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.841 10.961 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.340 12.595 5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.988 13.635 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.469 13.328 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.504 11.966 2.260 1.00 0.00 H new ATOM 534 N SER A 40 0.343 13.769 4.476 1.00 0.00 N ATOM 535 CA SER A 40 0.867 14.954 5.146 1.00 0.00 C ATOM 536 C SER A 40 2.124 15.462 4.446 1.00 0.00 C ATOM 537 O SER A 40 3.058 15.936 5.090 1.00 0.00 O ATOM 538 CB SER A 40 1.177 14.641 6.611 1.00 0.00 C ATOM 539 OG SER A 40 1.095 15.808 7.410 1.00 0.00 O ATOM 0 H SER A 40 0.775 12.893 4.769 1.00 0.00 H new ATOM 0 HA SER A 40 0.107 15.734 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.477 13.892 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.175 14.211 6.691 1.00 0.00 H new ATOM 0 HG SER A 40 1.296 15.581 8.342 1.00 0.00 H new ATOM 545 N GLY A 41 2.137 15.360 3.120 1.00 0.00 N ATOM 546 CA GLY A 41 3.283 15.813 2.353 1.00 0.00 C ATOM 547 C GLY A 41 2.892 16.748 1.225 1.00 0.00 C ATOM 548 O GLY A 41 1.722 17.088 1.049 1.00 0.00 O ATOM 0 H GLY A 41 1.375 14.972 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.983 16.321 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.805 14.949 1.941 1.00 0.00 H new ATOM 552 N PRO A 42 3.888 17.180 0.438 1.00 0.00 N ATOM 553 CA PRO A 42 3.668 18.088 -0.692 1.00 0.00 C ATOM 554 C PRO A 42 2.921 17.415 -1.839 1.00 0.00 C ATOM 555 O PRO A 42 3.119 16.231 -2.109 1.00 0.00 O ATOM 556 CB PRO A 42 5.086 18.465 -1.126 1.00 0.00 C ATOM 557 CG PRO A 42 5.935 17.326 -0.678 1.00 0.00 C ATOM 558 CD PRO A 42 5.307 16.815 0.589 1.00 0.00 C ATOM 0 HA PRO A 42 3.052 18.943 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.146 18.603 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.405 19.401 -0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.973 16.545 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.961 17.649 -0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.436 15.738 0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.749 17.277 1.472 1.00 0.00 H new ATOM 566 N GLN A 43 2.064 18.178 -2.509 1.00 0.00 N ATOM 567 CA GLN A 43 1.288 17.654 -3.627 1.00 0.00 C ATOM 568 C GLN A 43 2.097 16.634 -4.421 1.00 0.00 C ATOM 569 O GLN A 43 1.593 15.569 -4.776 1.00 0.00 O ATOM 570 CB GLN A 43 0.842 18.794 -4.544 1.00 0.00 C ATOM 571 CG GLN A 43 0.165 18.320 -5.820 1.00 0.00 C ATOM 572 CD GLN A 43 -0.957 17.335 -5.554 1.00 0.00 C ATOM 573 OE1 GLN A 43 -0.725 16.133 -5.422 1.00 0.00 O ATOM 574 NE2 GLN A 43 -2.182 17.841 -5.474 1.00 0.00 N ATOM 0 H GLN A 43 1.889 19.160 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 43 0.407 17.156 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.156 19.441 -3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.710 19.399 -4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.232 19.181 -6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.907 17.854 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.328 18.844 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.977 17.227 -5.297 1.00 0.00 H new ATOM 583 N GLN A 44 3.354 16.968 -4.697 1.00 0.00 N ATOM 584 CA GLN A 44 4.232 16.081 -5.450 1.00 0.00 C ATOM 585 C GLN A 44 4.302 14.703 -4.800 1.00 0.00 C ATOM 586 O GLN A 44 4.005 13.690 -5.433 1.00 0.00 O ATOM 587 CB GLN A 44 5.635 16.682 -5.550 1.00 0.00 C ATOM 588 CG GLN A 44 6.619 15.807 -6.309 1.00 0.00 C ATOM 589 CD GLN A 44 6.232 15.618 -7.762 1.00 0.00 C ATOM 590 OE1 GLN A 44 5.897 16.577 -8.458 1.00 0.00 O ATOM 591 NE2 GLN A 44 6.275 14.375 -8.230 1.00 0.00 N ATOM 0 H GLN A 44 3.787 17.846 -4.410 1.00 0.00 H new ATOM 0 HA GLN A 44 3.820 15.969 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.571 17.653 -6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.018 16.858 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.612 16.254 -6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.682 14.833 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.558 13.609 -7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.025 14.187 -9.201 1.00 0.00 H new ATOM 600 N THR A 45 4.696 14.673 -3.530 1.00 0.00 N ATOM 601 CA THR A 45 4.807 13.419 -2.794 1.00 0.00 C ATOM 602 C THR A 45 3.547 12.575 -2.954 1.00 0.00 C ATOM 603 O THR A 45 3.619 11.398 -3.304 1.00 0.00 O ATOM 604 CB THR A 45 5.057 13.669 -1.295 1.00 0.00 C ATOM 605 OG1 THR A 45 6.301 14.355 -1.114 1.00 0.00 O ATOM 606 CG2 THR A 45 5.079 12.357 -0.525 1.00 0.00 C ATOM 0 H THR A 45 4.943 15.502 -2.990 1.00 0.00 H new ATOM 0 HA THR A 45 5.657 12.880 -3.212 1.00 0.00 H new ATOM 0 HB THR A 45 4.244 14.285 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.689 14.106 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.257 12.558 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.121 11.851 -0.642 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.875 11.721 -0.912 1.00 0.00 H new ATOM 614 N GLN A 46 2.395 13.186 -2.696 1.00 0.00 N ATOM 615 CA GLN A 46 1.119 12.489 -2.812 1.00 0.00 C ATOM 616 C GLN A 46 0.997 11.799 -4.167 1.00 0.00 C ATOM 617 O GLN A 46 0.653 10.620 -4.247 1.00 0.00 O ATOM 618 CB GLN A 46 -0.040 13.467 -2.617 1.00 0.00 C ATOM 619 CG GLN A 46 -0.114 14.053 -1.216 1.00 0.00 C ATOM 620 CD GLN A 46 -1.296 14.984 -1.034 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.894 15.444 -2.007 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.639 15.268 0.217 1.00 0.00 N ATOM 0 H GLN A 46 2.319 14.161 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 46 1.077 11.728 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.057 14.280 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.977 12.955 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.180 13.242 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.807 14.596 -1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.115 14.864 0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.426 15.890 0.401 1.00 0.00 H new ATOM 631 N LYS A 47 1.279 12.543 -5.231 1.00 0.00 N ATOM 632 CA LYS A 47 1.202 12.004 -6.584 1.00 0.00 C ATOM 633 C LYS A 47 2.145 10.817 -6.752 1.00 0.00 C ATOM 634 O LYS A 47 1.751 9.765 -7.256 1.00 0.00 O ATOM 635 CB LYS A 47 1.544 13.089 -7.607 1.00 0.00 C ATOM 636 CG LYS A 47 0.544 14.232 -7.640 1.00 0.00 C ATOM 637 CD LYS A 47 0.646 15.026 -8.931 1.00 0.00 C ATOM 638 CE LYS A 47 1.938 15.827 -8.992 1.00 0.00 C ATOM 639 NZ LYS A 47 2.019 16.657 -10.226 1.00 0.00 N ATOM 0 H LYS A 47 1.563 13.521 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 47 0.181 11.661 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.533 13.489 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.600 12.638 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.466 13.836 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.718 14.893 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.597 14.347 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.206 15.701 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.007 16.472 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.789 15.147 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.914 17.187 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.979 16.040 -11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.221 17.324 -10.249 1.00 0.00 H new ATOM 653 N VAL A 48 3.391 10.992 -6.324 1.00 0.00 N ATOM 654 CA VAL A 48 4.389 9.934 -6.424 1.00 0.00 C ATOM 655 C VAL A 48 3.833 8.604 -5.926 1.00 0.00 C ATOM 656 O VAL A 48 4.030 7.563 -6.553 1.00 0.00 O ATOM 657 CB VAL A 48 5.657 10.280 -5.621 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.660 9.138 -5.687 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.274 11.573 -6.133 1.00 0.00 C ATOM 0 H VAL A 48 3.733 11.856 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 48 4.649 9.844 -7.479 1.00 0.00 H new ATOM 0 HB VAL A 48 5.377 10.425 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.549 9.401 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.213 8.236 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.938 8.957 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.169 11.803 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.540 11.458 -7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.555 12.386 -6.028 1.00 0.00 H new ATOM 669 N PHE A 49 3.136 8.647 -4.796 1.00 0.00 N ATOM 670 CA PHE A 49 2.551 7.445 -4.212 1.00 0.00 C ATOM 671 C PHE A 49 1.285 7.038 -4.962 1.00 0.00 C ATOM 672 O PHE A 49 1.094 5.866 -5.290 1.00 0.00 O ATOM 673 CB PHE A 49 2.230 7.675 -2.734 1.00 0.00 C ATOM 674 CG PHE A 49 1.072 6.856 -2.238 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.229 7.307 -2.392 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.285 5.636 -1.617 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.296 6.556 -1.937 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.222 4.881 -1.160 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.070 5.342 -1.319 1.00 0.00 C ATOM 0 H PHE A 49 2.962 9.501 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 49 3.279 6.638 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.112 7.441 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.011 8.731 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.411 8.257 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.293 5.271 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.305 6.918 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.401 3.931 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.902 4.754 -0.961 1.00 0.00 H new ATOM 689 N LEU A 50 0.424 8.013 -5.229 1.00 0.00 N ATOM 690 CA LEU A 50 -0.825 7.757 -5.940 1.00 0.00 C ATOM 691 C LEU A 50 -0.554 7.184 -7.327 1.00 0.00 C ATOM 692 O LEU A 50 -1.466 6.705 -8.001 1.00 0.00 O ATOM 693 CB LEU A 50 -1.640 9.046 -6.058 1.00 0.00 C ATOM 694 CG LEU A 50 -2.518 9.397 -4.856 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.970 10.847 -4.931 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.718 8.465 -4.781 1.00 0.00 C ATOM 0 H LEU A 50 0.567 8.988 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.396 7.024 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.952 9.873 -6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.278 8.970 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.927 9.268 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.594 11.079 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.098 11.500 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.543 11.003 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.331 8.730 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.310 8.560 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.374 7.436 -4.678 1.00 0.00 H new ATOM 708 N PHE A 51 0.706 7.236 -7.747 1.00 0.00 N ATOM 709 CA PHE A 51 1.097 6.720 -9.054 1.00 0.00 C ATOM 710 C PHE A 51 1.631 5.295 -8.940 1.00 0.00 C ATOM 711 O PHE A 51 1.348 4.446 -9.785 1.00 0.00 O ATOM 712 CB PHE A 51 2.158 7.625 -9.686 1.00 0.00 C ATOM 713 CG PHE A 51 2.688 7.106 -10.992 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.458 5.954 -11.033 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.417 7.769 -12.178 1.00 0.00 C ATOM 716 CE1 PHE A 51 3.947 5.474 -12.233 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.903 7.293 -13.381 1.00 0.00 C ATOM 718 CZ PHE A 51 3.670 6.144 -13.408 1.00 0.00 C ATOM 0 H PHE A 51 1.473 7.630 -7.202 1.00 0.00 H new ATOM 0 HA PHE A 51 0.213 6.707 -9.691 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.732 8.616 -9.844 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.987 7.742 -8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.678 5.426 -10.117 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.819 8.668 -12.162 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.546 4.575 -12.252 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.684 7.818 -14.299 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.052 5.771 -14.347 1.00 0.00 H new ATOM 728 N ILE A 52 2.404 5.042 -7.889 1.00 0.00 N ATOM 729 CA ILE A 52 2.977 3.721 -7.664 1.00 0.00 C ATOM 730 C ILE A 52 1.887 2.659 -7.567 1.00 0.00 C ATOM 731 O ILE A 52 2.039 1.550 -8.081 1.00 0.00 O ATOM 732 CB ILE A 52 3.826 3.688 -6.379 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.996 4.667 -6.490 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.331 2.277 -6.115 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.456 5.212 -5.156 1.00 0.00 C ATOM 0 H ILE A 52 2.648 5.734 -7.180 1.00 0.00 H new ATOM 0 HA ILE A 52 3.617 3.504 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 52 3.201 3.992 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.833 4.167 -6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.704 5.498 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.929 2.269 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.483 1.603 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.943 1.947 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.288 5.899 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.633 5.741 -4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.779 4.389 -4.519 1.00 0.00 H new ATOM 747 N ARG A 53 0.787 3.006 -6.907 1.00 0.00 N ATOM 748 CA ARG A 53 -0.329 2.082 -6.744 1.00 0.00 C ATOM 749 C ARG A 53 -0.947 1.732 -8.094 1.00 0.00 C ATOM 750 O ARG A 53 -0.858 0.593 -8.552 1.00 0.00 O ATOM 751 CB ARG A 53 -1.392 2.690 -5.827 1.00 0.00 C ATOM 752 CG ARG A 53 -2.611 1.803 -5.635 1.00 0.00 C ATOM 753 CD ARG A 53 -3.791 2.588 -5.086 1.00 0.00 C ATOM 754 NE ARG A 53 -4.464 3.363 -6.125 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.168 4.627 -6.406 1.00 0.00 C ATOM 756 NH1 ARG A 53 -3.217 5.255 -5.730 1.00 0.00 N ATOM 757 NH2 ARG A 53 -4.825 5.266 -7.366 1.00 0.00 N ATOM 0 H ARG A 53 0.645 3.920 -6.477 1.00 0.00 H new ATOM 0 HA ARG A 53 0.053 1.167 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.946 2.895 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.711 3.647 -6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.886 1.350 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.366 0.989 -4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.502 1.900 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.446 3.259 -4.300 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.201 2.909 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.710 4.768 -4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.992 6.226 -5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.558 4.786 -7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.597 6.237 -7.581 1.00 0.00 H new ATOM 771 N ASN A 54 -1.573 2.719 -8.727 1.00 0.00 N ATOM 772 CA ASN A 54 -2.206 2.515 -10.025 1.00 0.00 C ATOM 773 C ASN A 54 -1.320 1.670 -10.936 1.00 0.00 C ATOM 774 O ASN A 54 -1.752 0.643 -11.459 1.00 0.00 O ATOM 775 CB ASN A 54 -2.503 3.861 -10.688 1.00 0.00 C ATOM 776 CG ASN A 54 -3.785 4.488 -10.177 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.803 3.811 -10.027 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.742 5.787 -9.907 1.00 0.00 N ATOM 0 H ASN A 54 -1.655 3.668 -8.362 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.143 1.982 -9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.672 4.543 -10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.574 3.723 -11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.574 6.264 -9.560 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.877 6.308 -10.046 1.00 0.00 H new ATOM 785 N ARG A 55 -0.080 2.110 -11.119 1.00 0.00 N ATOM 786 CA ARG A 55 0.867 1.395 -11.967 1.00 0.00 C ATOM 787 C ARG A 55 0.925 -0.083 -11.591 1.00 0.00 C ATOM 788 O ARG A 55 0.880 -0.957 -12.457 1.00 0.00 O ATOM 789 CB ARG A 55 2.259 2.017 -11.850 1.00 0.00 C ATOM 790 CG ARG A 55 3.181 1.669 -13.008 1.00 0.00 C ATOM 791 CD ARG A 55 2.762 2.378 -14.286 1.00 0.00 C ATOM 792 NE ARG A 55 3.730 2.185 -15.362 1.00 0.00 N ATOM 793 CZ ARG A 55 3.479 2.463 -16.636 1.00 0.00 C ATOM 794 NH1 ARG A 55 2.296 2.944 -16.992 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.412 2.260 -17.557 1.00 0.00 N ATOM 0 H ARG A 55 0.293 2.958 -10.692 1.00 0.00 H new ATOM 0 HA ARG A 55 0.526 1.477 -12.999 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.159 3.101 -11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.718 1.686 -10.919 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.204 1.946 -12.756 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.173 0.591 -13.169 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.788 2.006 -14.604 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.648 3.444 -14.088 1.00 0.00 H new ATOM 0 HE ARG A 55 4.650 1.816 -15.122 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.576 3.101 -16.287 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.106 3.157 -17.971 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.323 1.890 -17.287 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.218 2.474 -18.535 1.00 0.00 H new ATOM 809 N THR A 56 1.025 -0.355 -10.294 1.00 0.00 N ATOM 810 CA THR A 56 1.091 -1.725 -9.803 1.00 0.00 C ATOM 811 C THR A 56 -0.098 -2.543 -10.294 1.00 0.00 C ATOM 812 O THR A 56 0.036 -3.728 -10.602 1.00 0.00 O ATOM 813 CB THR A 56 1.129 -1.770 -8.264 1.00 0.00 C ATOM 814 OG1 THR A 56 2.306 -1.110 -7.783 1.00 0.00 O ATOM 815 CG2 THR A 56 1.107 -3.206 -7.763 1.00 0.00 C ATOM 0 H THR A 56 1.062 0.357 -9.564 1.00 0.00 H new ATOM 0 HA THR A 56 2.012 -2.156 -10.194 1.00 0.00 H new ATOM 0 HB THR A 56 0.245 -1.257 -7.886 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.152 -0.142 -7.760 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.135 -3.212 -6.673 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.196 -3.697 -8.106 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.975 -3.740 -8.151 1.00 0.00 H new ATOM 823 N LEU A 57 -1.260 -1.904 -10.366 1.00 0.00 N ATOM 824 CA LEU A 57 -2.474 -2.573 -10.821 1.00 0.00 C ATOM 825 C LEU A 57 -2.458 -2.759 -12.335 1.00 0.00 C ATOM 826 O LEU A 57 -2.769 -3.837 -12.841 1.00 0.00 O ATOM 827 CB LEU A 57 -3.708 -1.769 -10.408 1.00 0.00 C ATOM 828 CG LEU A 57 -4.196 -1.979 -8.974 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.197 -0.901 -8.588 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.811 -3.362 -8.817 1.00 0.00 C ATOM 0 H LEU A 57 -1.388 -0.924 -10.115 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.515 -3.556 -10.353 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.490 -0.710 -10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.523 -2.017 -11.088 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.339 -1.907 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.533 -1.067 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.723 0.078 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.053 -0.941 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.153 -3.494 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.657 -3.463 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.064 -4.121 -9.051 1.00 0.00 H new ATOM 842 N GLN A 58 -2.091 -1.701 -13.052 1.00 0.00 N ATOM 843 CA GLN A 58 -2.033 -1.749 -14.508 1.00 0.00 C ATOM 844 C GLN A 58 -1.345 -3.024 -14.984 1.00 0.00 C ATOM 845 O GLN A 58 -1.885 -3.764 -15.808 1.00 0.00 O ATOM 846 CB GLN A 58 -1.295 -0.524 -15.051 1.00 0.00 C ATOM 847 CG GLN A 58 -2.183 0.700 -15.209 1.00 0.00 C ATOM 848 CD GLN A 58 -2.834 0.777 -16.575 1.00 0.00 C ATOM 849 OE1 GLN A 58 -2.153 0.873 -17.596 1.00 0.00 O ATOM 850 NE2 GLN A 58 -4.161 0.735 -16.602 1.00 0.00 N ATOM 0 H GLN A 58 -1.830 -0.801 -12.648 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.055 -1.746 -14.887 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.470 -0.280 -14.381 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.858 -0.773 -16.018 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.958 0.683 -14.442 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.589 1.599 -15.043 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.687 0.655 -15.731 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.655 0.783 -17.493 1.00 0.00 H new ATOM 859 N LEU A 59 -0.150 -3.275 -14.461 1.00 0.00 N ATOM 860 CA LEU A 59 0.614 -4.462 -14.832 1.00 0.00 C ATOM 861 C LEU A 59 -0.124 -5.733 -14.426 1.00 0.00 C ATOM 862 O LEU A 59 -0.149 -6.713 -15.171 1.00 0.00 O ATOM 863 CB LEU A 59 1.996 -4.428 -14.177 1.00 0.00 C ATOM 864 CG LEU A 59 2.771 -3.117 -14.310 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.790 -2.982 -13.190 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.454 -3.036 -15.668 1.00 0.00 C ATOM 0 H LEU A 59 0.311 -2.673 -13.779 1.00 0.00 H new ATOM 0 HA LEU A 59 0.733 -4.464 -15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.879 -4.651 -13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.599 -5.228 -14.606 1.00 0.00 H new ATOM 0 HG LEU A 59 2.064 -2.291 -14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.331 -2.043 -13.302 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.277 -2.993 -12.228 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.493 -3.814 -13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.001 -2.096 -15.745 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.148 -3.870 -15.777 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.703 -3.084 -16.456 1.00 0.00 H new ATOM 878 N TRP A 60 -0.723 -5.710 -13.241 1.00 0.00 N ATOM 879 CA TRP A 60 -1.463 -6.861 -12.737 1.00 0.00 C ATOM 880 C TRP A 60 -2.694 -7.135 -13.594 1.00 0.00 C ATOM 881 O TRP A 60 -3.130 -8.280 -13.724 1.00 0.00 O ATOM 882 CB TRP A 60 -1.880 -6.628 -11.284 1.00 0.00 C ATOM 883 CG TRP A 60 -3.141 -7.345 -10.905 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.396 -6.811 -10.829 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.268 -8.726 -10.550 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.295 -7.778 -10.447 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.628 -8.961 -10.271 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.365 -9.788 -10.443 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.104 -10.213 -9.891 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.839 -11.029 -10.065 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.198 -11.234 -9.794 1.00 0.00 C ATOM 0 H TRP A 60 -0.711 -4.907 -12.612 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.809 -7.732 -12.785 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.074 -6.953 -10.626 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.015 -5.559 -11.119 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.645 -5.781 -11.038 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.297 -7.637 -10.316 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.316 -9.641 -10.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.151 -10.373 -9.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.150 -11.856 -9.977 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.537 -12.217 -9.503 1.00 0.00 H new ATOM 902 N LEU A 61 -3.250 -6.079 -14.178 1.00 0.00 N ATOM 903 CA LEU A 61 -4.431 -6.206 -15.024 1.00 0.00 C ATOM 904 C LEU A 61 -4.066 -6.788 -16.386 1.00 0.00 C ATOM 905 O LEU A 61 -4.921 -7.320 -17.094 1.00 0.00 O ATOM 906 CB LEU A 61 -5.104 -4.844 -15.203 1.00 0.00 C ATOM 907 CG LEU A 61 -6.171 -4.482 -14.169 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.676 -3.065 -14.397 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.322 -5.475 -14.219 1.00 0.00 C ATOM 0 H LEU A 61 -2.902 -5.125 -14.081 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.127 -6.887 -14.533 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.332 -4.074 -15.184 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.560 -4.814 -16.192 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.720 -4.530 -13.178 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.435 -2.825 -13.652 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.846 -2.364 -14.309 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.110 -2.989 -15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.071 -5.201 -13.476 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.772 -5.460 -15.211 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.948 -6.476 -14.005 1.00 0.00 H new ATOM 921 N ASP A 62 -2.791 -6.685 -16.744 1.00 0.00 N ATOM 922 CA ASP A 62 -2.311 -7.204 -18.020 1.00 0.00 C ATOM 923 C ASP A 62 -1.835 -8.646 -17.875 1.00 0.00 C ATOM 924 O ASP A 62 -1.985 -9.454 -18.791 1.00 0.00 O ATOM 925 CB ASP A 62 -1.175 -6.330 -18.555 1.00 0.00 C ATOM 926 CG ASP A 62 -0.748 -6.730 -19.954 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.570 -6.603 -20.884 1.00 0.00 O ATOM 928 OD2 ASP A 62 0.410 -7.170 -20.118 1.00 0.00 O ATOM 0 H ASP A 62 -2.071 -6.247 -16.169 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.139 -7.183 -18.728 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.493 -5.288 -18.559 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.320 -6.399 -17.883 1.00 0.00 H new ATOM 933 N ASN A 63 -1.260 -8.961 -16.719 1.00 0.00 N ATOM 934 CA ASN A 63 -0.761 -10.306 -16.456 1.00 0.00 C ATOM 935 C ASN A 63 -1.261 -10.818 -15.108 1.00 0.00 C ATOM 936 O ASN A 63 -0.488 -11.262 -14.259 1.00 0.00 O ATOM 937 CB ASN A 63 0.769 -10.319 -16.483 1.00 0.00 C ATOM 938 CG ASN A 63 1.374 -9.821 -15.184 1.00 0.00 C ATOM 939 OD1 ASN A 63 1.010 -8.757 -14.685 1.00 0.00 O ATOM 940 ND2 ASN A 63 2.304 -10.592 -14.632 1.00 0.00 N ATOM 0 H ASN A 63 -1.128 -8.304 -15.950 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.138 -10.966 -17.238 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.118 -11.333 -16.678 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.121 -9.697 -17.306 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.748 -10.309 -13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.574 -11.467 -15.082 1.00 0.00 H new ATOM 947 N PRO A 64 -2.586 -10.754 -14.906 1.00 0.00 N ATOM 948 CA PRO A 64 -3.219 -11.208 -13.664 1.00 0.00 C ATOM 949 C PRO A 64 -3.169 -12.724 -13.508 1.00 0.00 C ATOM 950 O PRO A 64 -3.725 -13.279 -12.560 1.00 0.00 O ATOM 951 CB PRO A 64 -4.667 -10.733 -13.811 1.00 0.00 C ATOM 952 CG PRO A 64 -4.888 -10.641 -15.282 1.00 0.00 C ATOM 953 CD PRO A 64 -3.567 -10.236 -15.874 1.00 0.00 C ATOM 0 HA PRO A 64 -2.714 -10.815 -12.782 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.362 -11.434 -13.349 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.818 -9.768 -13.327 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.221 -11.597 -15.687 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.661 -9.909 -15.516 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.421 -10.668 -16.864 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.491 -9.154 -15.984 1.00 0.00 H new ATOM 961 N LYS A 65 -2.498 -13.388 -14.442 1.00 0.00 N ATOM 962 CA LYS A 65 -2.373 -14.841 -14.408 1.00 0.00 C ATOM 963 C LYS A 65 -1.261 -15.268 -13.456 1.00 0.00 C ATOM 964 O LYS A 65 -1.181 -16.432 -13.062 1.00 0.00 O ATOM 965 CB LYS A 65 -2.093 -15.382 -15.812 1.00 0.00 C ATOM 966 CG LYS A 65 -0.909 -14.721 -16.494 1.00 0.00 C ATOM 967 CD LYS A 65 -0.210 -15.675 -17.448 1.00 0.00 C ATOM 968 CE LYS A 65 -0.801 -15.596 -18.847 1.00 0.00 C ATOM 969 NZ LYS A 65 -0.695 -16.895 -19.568 1.00 0.00 N ATOM 0 H LYS A 65 -2.032 -12.943 -15.233 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.315 -15.254 -14.047 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.913 -16.455 -15.749 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.981 -15.244 -16.429 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.248 -13.841 -17.041 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.201 -14.375 -15.741 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.853 -15.438 -17.487 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.296 -16.695 -17.073 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.848 -15.301 -18.783 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.286 -14.822 -19.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.109 -16.800 -20.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.306 -17.165 -19.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.208 -17.629 -19.039 1.00 0.00 H new ATOM 983 N ILE A 66 -0.405 -14.320 -13.088 1.00 0.00 N ATOM 984 CA ILE A 66 0.700 -14.599 -12.180 1.00 0.00 C ATOM 985 C ILE A 66 0.790 -13.544 -11.083 1.00 0.00 C ATOM 986 O ILE A 66 0.472 -12.376 -11.305 1.00 0.00 O ATOM 987 CB ILE A 66 2.044 -14.659 -12.930 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.543 -13.247 -13.242 1.00 0.00 C ATOM 989 CG2 ILE A 66 1.900 -15.470 -14.210 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.934 -13.214 -13.834 1.00 0.00 C ATOM 0 H ILE A 66 -0.456 -13.352 -13.405 1.00 0.00 H new ATOM 0 HA ILE A 66 0.500 -15.572 -11.730 1.00 0.00 H new ATOM 0 HB ILE A 66 2.778 -15.150 -12.291 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.850 -12.771 -13.936 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.533 -12.656 -12.326 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.858 -15.504 -14.729 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.585 -16.484 -13.965 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.154 -15.004 -14.854 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.222 -12.181 -14.030 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.639 -13.660 -13.132 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.946 -13.777 -14.767 1.00 0.00 H new ATOM 1002 N GLN A 67 1.226 -13.964 -9.900 1.00 0.00 N ATOM 1003 CA GLN A 67 1.359 -13.054 -8.768 1.00 0.00 C ATOM 1004 C GLN A 67 2.374 -11.957 -9.068 1.00 0.00 C ATOM 1005 O GLN A 67 3.444 -12.220 -9.620 1.00 0.00 O ATOM 1006 CB GLN A 67 1.778 -13.824 -7.514 1.00 0.00 C ATOM 1007 CG GLN A 67 3.246 -14.221 -7.506 1.00 0.00 C ATOM 1008 CD GLN A 67 3.632 -15.051 -8.715 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.129 -16.158 -8.909 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.531 -14.519 -9.535 1.00 0.00 N ATOM 0 H GLN A 67 1.493 -14.928 -9.700 1.00 0.00 H new ATOM 0 HA GLN A 67 0.389 -12.588 -8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.571 -13.212 -6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.167 -14.722 -7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.862 -13.322 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.461 -14.785 -6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.922 -13.598 -9.335 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.831 -15.031 -10.365 1.00 0.00 H new ATOM 1019 N LEU A 68 2.033 -10.726 -8.702 1.00 0.00 N ATOM 1020 CA LEU A 68 2.915 -9.587 -8.933 1.00 0.00 C ATOM 1021 C LEU A 68 3.808 -9.336 -7.722 1.00 0.00 C ATOM 1022 O LEU A 68 3.396 -8.693 -6.755 1.00 0.00 O ATOM 1023 CB LEU A 68 2.093 -8.335 -9.243 1.00 0.00 C ATOM 1024 CG LEU A 68 2.869 -7.148 -9.816 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.390 -7.472 -11.207 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.992 -5.905 -9.849 1.00 0.00 C ATOM 0 H LEU A 68 1.152 -10.491 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 68 3.550 -9.818 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.308 -8.606 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.599 -8.012 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 68 3.723 -6.949 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.939 -6.616 -11.598 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.053 -8.336 -11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.552 -7.697 -11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.560 -5.070 -10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.119 -6.092 -10.474 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.668 -5.661 -8.837 1.00 0.00 H new ATOM 1038 N THR A 69 5.035 -9.846 -7.781 1.00 0.00 N ATOM 1039 CA THR A 69 5.986 -9.676 -6.691 1.00 0.00 C ATOM 1040 C THR A 69 6.371 -8.211 -6.520 1.00 0.00 C ATOM 1041 O THR A 69 6.035 -7.369 -7.352 1.00 0.00 O ATOM 1042 CB THR A 69 7.262 -10.507 -6.924 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.965 -10.013 -8.070 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.923 -11.976 -7.126 1.00 0.00 C ATOM 0 H THR A 69 5.392 -10.380 -8.573 1.00 0.00 H new ATOM 0 HA THR A 69 5.493 -10.027 -5.784 1.00 0.00 H new ATOM 0 HB THR A 69 7.895 -10.415 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.776 -10.545 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.840 -12.542 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.414 -12.357 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.272 -12.083 -7.994 1.00 0.00 H new ATOM 1052 N PHE A 70 7.080 -7.913 -5.435 1.00 0.00 N ATOM 1053 CA PHE A 70 7.511 -6.548 -5.155 1.00 0.00 C ATOM 1054 C PHE A 70 8.589 -6.105 -6.140 1.00 0.00 C ATOM 1055 O PHE A 70 8.553 -4.988 -6.653 1.00 0.00 O ATOM 1056 CB PHE A 70 8.037 -6.441 -3.723 1.00 0.00 C ATOM 1057 CG PHE A 70 8.962 -5.277 -3.509 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.458 -4.020 -3.216 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.334 -5.439 -3.602 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.306 -2.947 -3.020 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.188 -4.370 -3.406 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.673 -3.122 -3.114 1.00 0.00 C ATOM 0 H PHE A 70 7.368 -8.598 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 70 6.649 -5.891 -5.268 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.192 -6.354 -3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.560 -7.362 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.390 -3.877 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.742 -6.413 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.900 -1.972 -2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.256 -4.510 -3.481 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.338 -2.285 -2.960 1.00 0.00 H new ATOM 1072 N GLU A 71 9.546 -6.991 -6.398 1.00 0.00 N ATOM 1073 CA GLU A 71 10.635 -6.691 -7.319 1.00 0.00 C ATOM 1074 C GLU A 71 10.094 -6.292 -8.690 1.00 0.00 C ATOM 1075 O GLU A 71 10.328 -5.180 -9.161 1.00 0.00 O ATOM 1076 CB GLU A 71 11.564 -7.899 -7.458 1.00 0.00 C ATOM 1077 CG GLU A 71 12.591 -8.008 -6.343 1.00 0.00 C ATOM 1078 CD GLU A 71 13.698 -6.980 -6.467 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.442 -5.793 -6.176 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.822 -7.364 -6.855 1.00 0.00 O ATOM 0 H GLU A 71 9.589 -7.921 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 71 11.200 -5.853 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.963 -8.808 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.083 -7.839 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.092 -7.885 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.026 -9.007 -6.351 1.00 0.00 H new ATOM 1087 N ALA A 72 9.371 -7.209 -9.323 1.00 0.00 N ATOM 1088 CA ALA A 72 8.795 -6.954 -10.638 1.00 0.00 C ATOM 1089 C ALA A 72 8.163 -5.567 -10.700 1.00 0.00 C ATOM 1090 O ALA A 72 8.544 -4.736 -11.526 1.00 0.00 O ATOM 1091 CB ALA A 72 7.766 -8.021 -10.979 1.00 0.00 C ATOM 0 H ALA A 72 9.170 -8.136 -8.947 1.00 0.00 H new ATOM 0 HA ALA A 72 9.598 -6.992 -11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.344 -7.818 -11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.245 -9.000 -10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.970 -8.010 -10.234 1.00 0.00 H new ATOM 1097 N THR A 73 7.195 -5.322 -9.823 1.00 0.00 N ATOM 1098 CA THR A 73 6.510 -4.037 -9.780 1.00 0.00 C ATOM 1099 C THR A 73 7.505 -2.883 -9.768 1.00 0.00 C ATOM 1100 O THR A 73 7.314 -1.877 -10.453 1.00 0.00 O ATOM 1101 CB THR A 73 5.599 -3.927 -8.542 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.644 -4.995 -8.540 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.873 -2.591 -8.522 1.00 0.00 C ATOM 0 H THR A 73 6.868 -5.998 -9.132 1.00 0.00 H new ATOM 0 HA THR A 73 5.898 -3.976 -10.680 1.00 0.00 H new ATOM 0 HB THR A 73 6.223 -3.997 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.038 -5.786 -8.116 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.236 -2.536 -7.639 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.602 -1.781 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.260 -2.497 -9.418 1.00 0.00 H new ATOM 1111 N LEU A 74 8.569 -3.033 -8.986 1.00 0.00 N ATOM 1112 CA LEU A 74 9.597 -2.003 -8.886 1.00 0.00 C ATOM 1113 C LEU A 74 10.333 -1.836 -10.212 1.00 0.00 C ATOM 1114 O LEU A 74 10.383 -0.741 -10.770 1.00 0.00 O ATOM 1115 CB LEU A 74 10.591 -2.353 -7.778 1.00 0.00 C ATOM 1116 CG LEU A 74 11.947 -1.649 -7.846 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.856 -0.254 -7.247 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.011 -2.470 -7.131 1.00 0.00 C ATOM 0 H LEU A 74 8.742 -3.858 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 74 9.108 -1.060 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.131 -2.120 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.762 -3.429 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 74 12.233 -1.554 -8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.830 0.231 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.125 0.334 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.547 -0.325 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.969 -1.954 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.731 -2.597 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.096 -3.448 -7.605 1.00 0.00 H new ATOM 1130 N GLN A 75 10.899 -2.931 -10.709 1.00 0.00 N ATOM 1131 CA GLN A 75 11.631 -2.906 -11.970 1.00 0.00 C ATOM 1132 C GLN A 75 10.822 -2.202 -13.055 1.00 0.00 C ATOM 1133 O GLN A 75 11.321 -1.299 -13.726 1.00 0.00 O ATOM 1134 CB GLN A 75 11.972 -4.329 -12.415 1.00 0.00 C ATOM 1135 CG GLN A 75 12.902 -5.059 -11.459 1.00 0.00 C ATOM 1136 CD GLN A 75 14.340 -4.595 -11.576 1.00 0.00 C ATOM 1137 OE1 GLN A 75 14.858 -3.912 -10.692 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.994 -4.963 -12.671 1.00 0.00 N ATOM 0 H GLN A 75 10.865 -3.845 -10.258 1.00 0.00 H new ATOM 0 HA GLN A 75 12.556 -2.351 -11.813 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.049 -4.900 -12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.435 -4.291 -13.401 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.557 -4.907 -10.436 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.852 -6.130 -11.657 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.526 -5.529 -13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.965 -4.679 -12.805 1.00 0.00 H new ATOM 1147 N GLN A 76 9.572 -2.621 -13.220 1.00 0.00 N ATOM 1148 CA GLN A 76 8.695 -2.031 -14.225 1.00 0.00 C ATOM 1149 C GLN A 76 8.444 -0.556 -13.929 1.00 0.00 C ATOM 1150 O GLN A 76 8.343 0.263 -14.843 1.00 0.00 O ATOM 1151 CB GLN A 76 7.366 -2.786 -14.279 1.00 0.00 C ATOM 1152 CG GLN A 76 7.513 -4.250 -14.658 1.00 0.00 C ATOM 1153 CD GLN A 76 6.334 -5.091 -14.208 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.583 -5.617 -15.030 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.165 -5.221 -12.898 1.00 0.00 N ATOM 0 H GLN A 76 9.143 -3.366 -12.671 1.00 0.00 H new ATOM 0 HA GLN A 76 9.189 -2.110 -15.194 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.880 -2.718 -13.306 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.709 -2.297 -14.998 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.621 -4.332 -15.739 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.427 -4.646 -14.215 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.812 -4.767 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.388 -5.774 -12.536 1.00 0.00 H new ATOM 1164 N LEU A 77 8.344 -0.224 -12.646 1.00 0.00 N ATOM 1165 CA LEU A 77 8.105 1.154 -12.229 1.00 0.00 C ATOM 1166 C LEU A 77 9.225 2.071 -12.710 1.00 0.00 C ATOM 1167 O LEU A 77 10.300 1.607 -13.087 1.00 0.00 O ATOM 1168 CB LEU A 77 7.983 1.232 -10.706 1.00 0.00 C ATOM 1169 CG LEU A 77 6.567 1.129 -10.139 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.597 0.573 -8.724 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.882 2.488 -10.166 1.00 0.00 C ATOM 0 H LEU A 77 8.425 -0.889 -11.877 1.00 0.00 H new ATOM 0 HA LEU A 77 7.170 1.488 -12.680 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.585 0.434 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.418 2.175 -10.375 1.00 0.00 H new ATOM 0 HG LEU A 77 5.995 0.443 -10.764 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.580 0.507 -8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.047 -0.420 -8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.186 1.233 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.875 2.396 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.453 3.195 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.826 2.847 -11.194 1.00 0.00 H new ATOM 1183 N GLU A 78 8.964 3.374 -12.690 1.00 0.00 N ATOM 1184 CA GLU A 78 9.952 4.356 -13.122 1.00 0.00 C ATOM 1185 C GLU A 78 10.043 5.510 -12.128 1.00 0.00 C ATOM 1186 O GLU A 78 9.051 6.182 -11.848 1.00 0.00 O ATOM 1187 CB GLU A 78 9.597 4.892 -14.511 1.00 0.00 C ATOM 1188 CG GLU A 78 8.225 5.541 -14.580 1.00 0.00 C ATOM 1189 CD GLU A 78 7.923 6.122 -15.948 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.577 7.115 -16.329 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.031 5.583 -16.637 1.00 0.00 O ATOM 0 H GLU A 78 8.078 3.774 -12.380 1.00 0.00 H new ATOM 0 HA GLU A 78 10.922 3.861 -13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.350 5.620 -14.814 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.639 4.073 -15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.465 4.802 -14.327 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.163 6.331 -13.832 1.00 0.00 H new ATOM 1198 N ALA A 79 11.242 5.733 -11.598 1.00 0.00 N ATOM 1199 CA ALA A 79 11.464 6.806 -10.637 1.00 0.00 C ATOM 1200 C ALA A 79 10.768 8.090 -11.076 1.00 0.00 C ATOM 1201 O ALA A 79 10.432 8.273 -12.246 1.00 0.00 O ATOM 1202 CB ALA A 79 12.955 7.048 -10.452 1.00 0.00 C ATOM 0 H ALA A 79 12.074 5.185 -11.818 1.00 0.00 H new ATOM 0 HA ALA A 79 11.035 6.500 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.107 7.852 -9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.429 6.138 -10.085 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.399 7.328 -11.407 1.00 0.00 H new ATOM 1208 N PRO A 80 10.545 9.001 -10.117 1.00 0.00 N ATOM 1209 CA PRO A 80 10.940 8.793 -8.721 1.00 0.00 C ATOM 1210 C PRO A 80 10.101 7.721 -8.034 1.00 0.00 C ATOM 1211 O PRO A 80 10.407 7.300 -6.918 1.00 0.00 O ATOM 1212 CB PRO A 80 10.694 10.159 -8.075 1.00 0.00 C ATOM 1213 CG PRO A 80 9.645 10.795 -8.922 1.00 0.00 C ATOM 1214 CD PRO A 80 9.889 10.303 -10.322 1.00 0.00 C ATOM 0 HA PRO A 80 11.970 8.445 -8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.360 10.054 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.605 10.758 -8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.647 10.520 -8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.710 11.882 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.958 10.200 -10.880 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.523 10.988 -10.884 1.00 0.00 H new ATOM 1222 N TYR A 81 9.043 7.284 -8.707 1.00 0.00 N ATOM 1223 CA TYR A 81 8.158 6.262 -8.160 1.00 0.00 C ATOM 1224 C TYR A 81 8.961 5.113 -7.557 1.00 0.00 C ATOM 1225 O TYR A 81 8.824 4.799 -6.376 1.00 0.00 O ATOM 1226 CB TYR A 81 7.224 5.730 -9.248 1.00 0.00 C ATOM 1227 CG TYR A 81 6.616 6.816 -10.108 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.202 8.020 -9.551 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.455 6.638 -11.476 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.646 9.014 -10.332 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.902 7.627 -12.265 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.498 8.814 -11.688 1.00 0.00 C ATOM 1233 OH TYR A 81 4.945 9.801 -12.470 1.00 0.00 O ATOM 0 H TYR A 81 8.777 7.621 -9.632 1.00 0.00 H new ATOM 0 HA TYR A 81 7.561 6.719 -7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.778 5.041 -9.885 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.423 5.158 -8.780 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.317 8.181 -8.489 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.768 5.710 -11.931 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.329 9.943 -9.883 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.786 7.473 -13.328 1.00 0.00 H new ATOM 0 HH TYR A 81 4.040 9.537 -12.738 1.00 0.00 H new ATOM 1243 N ASN A 82 9.798 4.489 -8.379 1.00 0.00 N ATOM 1244 CA ASN A 82 10.624 3.375 -7.929 1.00 0.00 C ATOM 1245 C ASN A 82 11.792 3.870 -7.083 1.00 0.00 C ATOM 1246 O ASN A 82 12.224 3.197 -6.147 1.00 0.00 O ATOM 1247 CB ASN A 82 11.148 2.584 -9.129 1.00 0.00 C ATOM 1248 CG ASN A 82 12.456 3.138 -9.660 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.441 3.243 -8.929 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.471 3.496 -10.939 1.00 0.00 N ATOM 0 H ASN A 82 9.922 4.736 -9.361 1.00 0.00 H new ATOM 0 HA ASN A 82 10.005 2.722 -7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.288 1.542 -8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.402 2.597 -9.923 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.323 3.876 -11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.631 3.391 -11.508 1.00 0.00 H new ATOM 1257 N SER A 83 12.299 5.053 -7.417 1.00 0.00 N ATOM 1258 CA SER A 83 13.419 5.638 -6.690 1.00 0.00 C ATOM 1259 C SER A 83 13.350 5.282 -5.208 1.00 0.00 C ATOM 1260 O SER A 83 14.343 4.862 -4.613 1.00 0.00 O ATOM 1261 CB SER A 83 13.428 7.158 -6.862 1.00 0.00 C ATOM 1262 OG SER A 83 14.554 7.737 -6.225 1.00 0.00 O ATOM 0 H SER A 83 11.951 5.625 -8.187 1.00 0.00 H new ATOM 0 HA SER A 83 14.341 5.228 -7.101 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.439 7.407 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.514 7.580 -6.445 1.00 0.00 H new ATOM 0 HG SER A 83 14.537 8.709 -6.351 1.00 0.00 H new ATOM 1268 N ASP A 84 12.172 5.454 -4.620 1.00 0.00 N ATOM 1269 CA ASP A 84 11.972 5.150 -3.207 1.00 0.00 C ATOM 1270 C ASP A 84 11.388 3.752 -3.029 1.00 0.00 C ATOM 1271 O ASP A 84 10.177 3.587 -2.881 1.00 0.00 O ATOM 1272 CB ASP A 84 11.048 6.187 -2.567 1.00 0.00 C ATOM 1273 CG ASP A 84 11.767 7.483 -2.245 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.980 7.431 -1.953 1.00 0.00 O ATOM 1275 OD2 ASP A 84 11.116 8.548 -2.283 1.00 0.00 O ATOM 0 H ASP A 84 11.341 5.802 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 84 12.943 5.184 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.217 6.394 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.622 5.774 -1.653 1.00 0.00 H new ATOM 1280 N THR A 85 12.258 2.747 -3.047 1.00 0.00 N ATOM 1281 CA THR A 85 11.829 1.363 -2.890 1.00 0.00 C ATOM 1282 C THR A 85 10.894 1.209 -1.696 1.00 0.00 C ATOM 1283 O THR A 85 9.913 0.468 -1.754 1.00 0.00 O ATOM 1284 CB THR A 85 13.033 0.419 -2.710 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.911 0.931 -1.701 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.794 0.257 -4.017 1.00 0.00 C ATOM 0 H THR A 85 13.264 2.866 -3.169 1.00 0.00 H new ATOM 0 HA THR A 85 11.297 1.092 -3.802 1.00 0.00 H new ATOM 0 HB THR A 85 12.658 -0.557 -2.403 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.673 0.324 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.640 -0.414 -3.865 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.131 -0.161 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.157 1.229 -4.349 1.00 0.00 H new ATOM 1294 N VAL A 86 11.204 1.914 -0.613 1.00 0.00 N ATOM 1295 CA VAL A 86 10.390 1.857 0.596 1.00 0.00 C ATOM 1296 C VAL A 86 8.919 2.106 0.280 1.00 0.00 C ATOM 1297 O VAL A 86 8.036 1.431 0.810 1.00 0.00 O ATOM 1298 CB VAL A 86 10.860 2.888 1.639 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.403 4.286 1.252 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.351 2.515 3.023 1.00 0.00 C ATOM 0 H VAL A 86 12.013 2.532 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 86 10.506 0.855 1.008 1.00 0.00 H new ATOM 0 HB VAL A 86 11.950 2.883 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.744 5.001 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.822 4.550 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.315 4.311 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.692 3.254 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.261 2.491 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.734 1.533 3.299 1.00 0.00 H new ATOM 1310 N LEU A 87 8.662 3.079 -0.588 1.00 0.00 N ATOM 1311 CA LEU A 87 7.298 3.418 -0.976 1.00 0.00 C ATOM 1312 C LEU A 87 6.673 2.298 -1.803 1.00 0.00 C ATOM 1313 O LEU A 87 5.545 1.877 -1.545 1.00 0.00 O ATOM 1314 CB LEU A 87 7.282 4.724 -1.772 1.00 0.00 C ATOM 1315 CG LEU A 87 5.987 5.534 -1.706 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.689 5.950 -0.274 1.00 0.00 C ATOM 1317 CD2 LEU A 87 6.076 6.755 -2.610 1.00 0.00 C ATOM 0 H LEU A 87 9.381 3.647 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 87 6.710 3.546 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.099 5.353 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.489 4.492 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 87 5.169 4.905 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.764 6.525 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.582 5.061 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.508 6.562 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.146 7.320 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.905 7.386 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.241 6.435 -3.639 1.00 0.00 H new ATOM 1329 N VAL A 88 7.415 1.818 -2.796 1.00 0.00 N ATOM 1330 CA VAL A 88 6.936 0.745 -3.658 1.00 0.00 C ATOM 1331 C VAL A 88 6.584 -0.497 -2.847 1.00 0.00 C ATOM 1332 O VAL A 88 5.658 -1.233 -3.188 1.00 0.00 O ATOM 1333 CB VAL A 88 7.984 0.369 -4.723 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.503 -0.811 -5.553 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.293 1.565 -5.610 1.00 0.00 C ATOM 0 H VAL A 88 8.350 2.156 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 88 6.040 1.116 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 88 8.903 0.074 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.256 -1.062 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.337 -1.670 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.570 -0.548 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.035 1.282 -6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.381 1.892 -6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.684 2.379 -5.000 1.00 0.00 H new ATOM 1345 N HIS A 89 7.330 -0.724 -1.770 1.00 0.00 N ATOM 1346 CA HIS A 89 7.097 -1.877 -0.908 1.00 0.00 C ATOM 1347 C HIS A 89 5.828 -1.690 -0.082 1.00 0.00 C ATOM 1348 O HIS A 89 5.103 -2.649 0.187 1.00 0.00 O ATOM 1349 CB HIS A 89 8.293 -2.099 0.018 1.00 0.00 C ATOM 1350 CG HIS A 89 8.091 -3.208 1.003 1.00 0.00 C ATOM 1351 ND1 HIS A 89 8.856 -4.355 1.013 1.00 0.00 N ATOM 1352 CD2 HIS A 89 7.204 -3.341 2.017 1.00 0.00 C ATOM 1353 CE1 HIS A 89 8.447 -5.146 1.990 1.00 0.00 C ATOM 1354 NE2 HIS A 89 7.446 -4.553 2.614 1.00 0.00 N ATOM 0 H HIS A 89 8.101 -0.125 -1.474 1.00 0.00 H new ATOM 0 HA HIS A 89 6.971 -2.754 -1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.174 -2.317 -0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.498 -1.176 0.560 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.447 -2.626 2.303 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.861 -6.113 2.236 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.935 -4.934 3.411 1.00 0.00 H new ATOM 1363 N ARG A 90 5.565 -0.450 0.318 1.00 0.00 N ATOM 1364 CA ARG A 90 4.385 -0.138 1.115 1.00 0.00 C ATOM 1365 C ARG A 90 3.128 -0.145 0.251 1.00 0.00 C ATOM 1366 O ARG A 90 2.134 -0.789 0.586 1.00 0.00 O ATOM 1367 CB ARG A 90 4.545 1.225 1.791 1.00 0.00 C ATOM 1368 CG ARG A 90 5.659 1.265 2.825 1.00 0.00 C ATOM 1369 CD ARG A 90 6.198 2.675 3.008 1.00 0.00 C ATOM 1370 NE ARG A 90 5.228 3.553 3.658 1.00 0.00 N ATOM 1371 CZ ARG A 90 4.980 3.535 4.962 1.00 0.00 C ATOM 1372 NH1 ARG A 90 5.627 2.689 5.752 1.00 0.00 N ATOM 1373 NH2 ARG A 90 4.082 4.364 5.480 1.00 0.00 N ATOM 0 H ARG A 90 6.153 0.355 0.103 1.00 0.00 H new ATOM 0 HA ARG A 90 4.282 -0.906 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.741 1.979 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.605 1.495 2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.286 0.890 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.468 0.602 2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.110 2.640 3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.467 3.089 2.036 1.00 0.00 H new ATOM 0 HE ARG A 90 4.713 4.216 3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.317 2.050 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.434 2.678 6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.582 5.016 4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.892 4.349 6.482 1.00 0.00 H new ATOM 1387 N VAL A 91 3.179 0.578 -0.864 1.00 0.00 N ATOM 1388 CA VAL A 91 2.045 0.655 -1.777 1.00 0.00 C ATOM 1389 C VAL A 91 1.616 -0.733 -2.239 1.00 0.00 C ATOM 1390 O VAL A 91 0.461 -1.126 -2.069 1.00 0.00 O ATOM 1391 CB VAL A 91 2.376 1.515 -3.011 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.263 1.418 -4.044 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.612 2.962 -2.604 1.00 0.00 C ATOM 0 H VAL A 91 3.993 1.118 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 91 1.227 1.121 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 91 3.292 1.134 -3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.515 2.032 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.147 0.380 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.329 1.772 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.845 3.555 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.715 3.357 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.446 3.012 -1.904 1.00 0.00 H new ATOM 1403 N HIS A 92 2.553 -1.472 -2.824 1.00 0.00 N ATOM 1404 CA HIS A 92 2.272 -2.818 -3.310 1.00 0.00 C ATOM 1405 C HIS A 92 1.562 -3.644 -2.242 1.00 0.00 C ATOM 1406 O HIS A 92 0.750 -4.515 -2.555 1.00 0.00 O ATOM 1407 CB HIS A 92 3.568 -3.512 -3.730 1.00 0.00 C ATOM 1408 CG HIS A 92 3.348 -4.761 -4.528 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.167 -6.000 -3.951 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.278 -4.956 -5.865 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.997 -6.904 -4.899 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.060 -6.296 -6.070 1.00 0.00 N ATOM 0 H HIS A 92 3.513 -1.162 -2.973 1.00 0.00 H new ATOM 0 HA HIS A 92 1.616 -2.735 -4.176 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.169 -2.817 -4.317 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.144 -3.757 -2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.375 -4.199 -6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.834 -7.960 -4.743 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.963 -6.749 -6.979 1.00 0.00 H new ATOM 1421 N SER A 93 1.874 -3.365 -0.980 1.00 0.00 N ATOM 1422 CA SER A 93 1.269 -4.086 0.134 1.00 0.00 C ATOM 1423 C SER A 93 -0.208 -3.729 0.274 1.00 0.00 C ATOM 1424 O SER A 93 -1.077 -4.599 0.211 1.00 0.00 O ATOM 1425 CB SER A 93 2.008 -3.768 1.435 1.00 0.00 C ATOM 1426 OG SER A 93 1.453 -4.485 2.525 1.00 0.00 O ATOM 0 H SER A 93 2.542 -2.645 -0.704 1.00 0.00 H new ATOM 0 HA SER A 93 1.349 -5.154 -0.069 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.063 -4.021 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.955 -2.698 1.635 1.00 0.00 H new ATOM 0 HG SER A 93 1.944 -4.266 3.345 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.484 -2.444 0.464 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.854 -1.970 0.616 1.00 0.00 C ATOM 1434 C TYR A 94 -2.768 -2.603 -0.429 1.00 0.00 C ATOM 1435 O TYR A 94 -3.923 -2.926 -0.148 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.906 -0.446 0.498 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.225 0.077 -0.023 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.503 0.085 -1.384 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.195 0.562 0.846 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.707 0.562 -1.865 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.402 1.040 0.374 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.653 1.038 -0.982 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.854 1.514 -1.457 1.00 0.00 O ATOM 0 H TYR A 94 0.224 -1.711 0.516 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.205 -2.263 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.712 -0.008 1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.106 -0.114 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.765 -0.288 -2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.002 0.565 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.906 0.562 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.145 1.413 1.063 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.409 1.811 -0.705 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.242 -2.780 -1.636 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.009 -3.375 -2.725 1.00 0.00 C ATOM 1455 C LEU A 95 -3.230 -4.865 -2.484 1.00 0.00 C ATOM 1456 O LEU A 95 -4.363 -5.312 -2.307 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.287 -3.164 -4.057 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.267 -1.731 -4.591 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.229 -1.586 -5.692 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.645 -1.332 -5.098 1.00 0.00 C ATOM 0 H LEU A 95 -1.288 -2.520 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.981 -2.884 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.257 -3.504 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.755 -3.803 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.995 -1.063 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.229 -0.560 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.243 -1.829 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.469 -2.265 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.612 -0.310 -5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.946 -2.005 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.365 -1.396 -4.282 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.141 -5.627 -2.477 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.217 -7.066 -2.256 1.00 0.00 C ATOM 1474 C GLU A 96 -2.974 -7.379 -0.968 1.00 0.00 C ATOM 1475 O GLU A 96 -3.987 -8.077 -0.985 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.813 -7.670 -2.195 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.805 -9.167 -1.933 1.00 0.00 C ATOM 1478 CD GLU A 96 -1.295 -9.518 -0.542 1.00 0.00 C ATOM 1479 OE1 GLU A 96 -0.647 -9.096 0.439 1.00 0.00 O ATOM 1480 OE2 GLU A 96 -2.325 -10.215 -0.433 1.00 0.00 O ATOM 0 H GLU A 96 -1.196 -5.272 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.759 -7.508 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.300 -7.472 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.245 -7.169 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.433 -9.665 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.207 -9.550 -2.065 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.472 -6.858 0.148 1.00 0.00 N ATOM 1488 CA ARG A 97 -3.098 -7.083 1.445 1.00 0.00 C ATOM 1489 C ARG A 97 -4.616 -6.969 1.343 1.00 0.00 C ATOM 1490 O ARG A 97 -5.347 -7.870 1.755 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.568 -6.080 2.471 1.00 0.00 C ATOM 1492 CG ARG A 97 -1.215 -6.459 3.051 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.953 -5.744 4.367 1.00 0.00 C ATOM 1494 NE ARG A 97 -1.862 -6.187 5.421 1.00 0.00 N ATOM 1495 CZ ARG A 97 -1.663 -7.277 6.153 1.00 0.00 C ATOM 1496 NH1 ARG A 97 -0.593 -8.033 5.946 1.00 0.00 N ATOM 1497 NH2 ARG A 97 -2.536 -7.615 7.094 1.00 0.00 N ATOM 0 H ARG A 97 -1.634 -6.278 0.179 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.848 -8.093 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.491 -5.099 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.289 -5.989 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.174 -7.537 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.429 -6.210 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.076 -5.922 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.061 -4.669 4.223 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.695 -5.628 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.080 -7.778 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.443 -8.870 6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.361 -7.037 7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.382 -8.452 7.655 1.00 0.00 H new ATOM 1511 N HIS A 98 -5.085 -5.854 0.791 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.516 -5.621 0.635 1.00 0.00 C ATOM 1513 C HIS A 98 -7.142 -6.674 -0.276 1.00 0.00 C ATOM 1514 O HIS A 98 -8.244 -7.155 -0.019 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.769 -4.224 0.067 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.520 -3.123 1.052 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.234 -1.944 1.059 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.630 -3.029 2.067 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.793 -1.171 2.035 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.819 -1.806 2.662 1.00 0.00 N ATOM 0 H HIS A 98 -4.495 -5.098 0.444 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.980 -5.694 1.619 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.130 -4.073 -0.803 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.800 -4.163 -0.280 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.906 -3.777 2.355 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.165 -0.187 2.279 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.293 -1.446 3.458 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.429 -7.026 -1.341 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.930 -8.019 -2.274 1.00 0.00 C ATOM 1531 C GLY A 99 -7.205 -7.438 -3.647 1.00 0.00 C ATOM 1532 O GLY A 99 -8.140 -7.855 -4.330 1.00 0.00 O ATOM 0 H GLY A 99 -5.514 -6.642 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.204 -8.827 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.847 -8.456 -1.877 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.389 -6.470 -4.052 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.549 -5.829 -5.352 1.00 0.00 C ATOM 1538 C LEU A 100 -5.612 -6.449 -6.384 1.00 0.00 C ATOM 1539 O LEU A 100 -5.788 -6.261 -7.589 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.279 -4.328 -5.239 1.00 0.00 C ATOM 1541 CG LEU A 100 -6.891 -3.625 -4.026 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.202 -2.173 -4.351 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.146 -4.352 -3.566 1.00 0.00 C ATOM 0 H LEU A 100 -5.610 -6.112 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.576 -5.984 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.200 -4.174 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.652 -3.843 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.165 -3.646 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.637 -1.689 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.283 -1.658 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.910 -2.129 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.568 -3.838 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.877 -4.363 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.893 -5.376 -3.291 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.619 -7.190 -5.905 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.657 -7.840 -6.786 1.00 0.00 C ATOM 1557 C ILE A 101 -3.281 -9.223 -6.264 1.00 0.00 C ATOM 1558 O ILE A 101 -3.160 -9.430 -5.058 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.378 -6.997 -6.942 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.728 -6.758 -5.578 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.695 -5.674 -7.623 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.241 -6.489 -5.655 1.00 0.00 C ATOM 0 H ILE A 101 -4.459 -7.355 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.137 -7.940 -7.759 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.674 -7.546 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.217 -5.912 -5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.899 -7.629 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.781 -5.090 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.117 -5.865 -8.610 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.415 -5.119 -7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.152 -6.329 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.260 -7.344 -6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.063 -5.600 -6.260 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.095 -10.165 -7.183 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.731 -11.529 -6.816 1.00 0.00 C ATOM 1576 C ASN A 102 -3.858 -12.203 -6.039 1.00 0.00 C ATOM 1577 O ASN A 102 -3.653 -12.696 -4.930 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.449 -11.529 -5.980 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.350 -10.693 -6.606 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.593 -9.925 -7.537 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.868 -10.839 -6.097 1.00 0.00 N ATOM 0 H ASN A 102 -3.190 -10.009 -8.187 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.559 -12.092 -7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.669 -11.147 -4.983 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.098 -12.554 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.648 -10.303 -6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.024 -11.487 -5.325 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.048 -12.219 -6.630 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.209 -12.832 -5.994 1.00 0.00 C ATOM 1590 C PHE A 103 -6.805 -13.920 -6.883 1.00 0.00 C ATOM 1591 O PHE A 103 -7.987 -14.243 -6.779 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.268 -11.772 -5.686 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.590 -10.889 -6.858 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.113 -11.426 -8.024 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.370 -9.523 -6.795 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.412 -10.617 -9.104 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.667 -8.709 -7.872 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.188 -9.257 -9.028 1.00 0.00 C ATOM 0 H PHE A 103 -5.234 -11.815 -7.548 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.881 -13.289 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.180 -12.267 -5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.921 -11.153 -4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.289 -12.490 -8.089 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.962 -9.089 -5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.820 -11.048 -10.006 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.492 -7.645 -7.810 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.420 -8.623 -9.871 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.976 -14.481 -7.759 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.439 -15.525 -8.654 1.00 0.00 C ATOM 1610 C GLY A 104 -5.325 -16.083 -9.518 1.00 0.00 C ATOM 1611 O GLY A 104 -5.482 -16.217 -10.732 1.00 0.00 O ATOM 0 H GLY A 104 -4.993 -14.231 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.880 -16.332 -8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.227 -15.128 -9.294 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.199 -16.406 -8.893 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.055 -16.952 -9.614 1.00 0.00 C ATOM 1617 C ILE A 105 -2.471 -18.158 -8.886 1.00 0.00 C ATOM 1618 O ILE A 105 -2.040 -19.126 -9.514 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.951 -15.895 -9.800 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.362 -15.497 -8.445 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.502 -14.675 -10.522 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.337 -14.758 -7.555 1.00 0.00 C ATOM 0 H ILE A 105 -4.053 -16.299 -7.889 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.418 -17.263 -10.594 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.156 -16.325 -10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.020 -16.394 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.486 -14.870 -8.609 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.710 -13.937 -10.646 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.879 -14.971 -11.501 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.313 -14.242 -9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.851 -14.508 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.660 -13.843 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.203 -15.390 -7.360 1.00 0.00 H new ATOM 1634 N TYR A 106 -2.463 -18.095 -7.560 1.00 0.00 N ATOM 1635 CA TYR A 106 -1.932 -19.182 -6.746 1.00 0.00 C ATOM 1636 C TYR A 106 -2.987 -19.700 -5.773 1.00 0.00 C ATOM 1637 O TYR A 106 -3.984 -19.030 -5.505 1.00 0.00 O ATOM 1638 CB TYR A 106 -0.697 -18.712 -5.974 1.00 0.00 C ATOM 1639 CG TYR A 106 -0.889 -17.387 -5.272 1.00 0.00 C ATOM 1640 CD1 TYR A 106 -1.866 -17.230 -4.296 1.00 0.00 C ATOM 1641 CD2 TYR A 106 -0.095 -16.291 -5.586 1.00 0.00 C ATOM 1642 CE1 TYR A 106 -2.046 -16.021 -3.653 1.00 0.00 C ATOM 1643 CE2 TYR A 106 -0.267 -15.078 -4.947 1.00 0.00 C ATOM 1644 CZ TYR A 106 -1.243 -14.948 -3.982 1.00 0.00 C ATOM 1645 OH TYR A 106 -1.418 -13.741 -3.344 1.00 0.00 O ATOM 0 H TYR A 106 -2.818 -17.302 -7.025 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.648 -19.996 -7.413 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.430 -19.469 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.143 -18.630 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.495 -18.068 -4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.670 -16.389 -6.342 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.810 -15.916 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.360 -14.236 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.143 -13.244 -3.778 1.00 0.00 H new ATOM 1655 N LYS A 107 -2.759 -20.899 -5.247 1.00 0.00 N ATOM 1656 CA LYS A 107 -3.687 -21.509 -4.303 1.00 0.00 C ATOM 1657 C LYS A 107 -3.442 -20.993 -2.888 1.00 0.00 C ATOM 1658 O LYS A 107 -2.665 -21.575 -2.131 1.00 0.00 O ATOM 1659 CB LYS A 107 -3.548 -23.033 -4.332 1.00 0.00 C ATOM 1660 CG LYS A 107 -4.724 -23.763 -3.706 1.00 0.00 C ATOM 1661 CD LYS A 107 -4.404 -25.228 -3.461 1.00 0.00 C ATOM 1662 CE LYS A 107 -3.492 -25.406 -2.257 1.00 0.00 C ATOM 1663 NZ LYS A 107 -3.221 -26.843 -1.974 1.00 0.00 N ATOM 0 H LYS A 107 -1.939 -21.467 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.700 -21.236 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.437 -23.360 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.635 -23.316 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.990 -23.285 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.593 -23.684 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.329 -25.782 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.927 -25.650 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.550 -24.887 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.950 -24.944 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.596 -26.922 -1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.117 -27.333 -1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.760 -27.278 -2.799 1.00 0.00 H new ATOM 1677 N ARG A 108 -4.109 -19.899 -2.539 1.00 0.00 N ATOM 1678 CA ARG A 108 -3.964 -19.305 -1.215 1.00 0.00 C ATOM 1679 C ARG A 108 -5.224 -19.519 -0.381 1.00 0.00 C ATOM 1680 O ARG A 108 -5.158 -20.011 0.746 1.00 0.00 O ATOM 1681 CB ARG A 108 -3.666 -17.809 -1.333 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.532 -17.107 0.008 1.00 0.00 C ATOM 1683 CD ARG A 108 -2.258 -17.520 0.728 1.00 0.00 C ATOM 1684 NE ARG A 108 -2.185 -16.960 2.076 1.00 0.00 N ATOM 1685 CZ ARG A 108 -1.767 -15.727 2.338 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -1.386 -14.929 1.350 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -1.730 -15.290 3.590 1.00 0.00 N ATOM 0 H ARG A 108 -4.756 -19.405 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.130 -19.796 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.743 -17.674 -1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.462 -17.333 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -3.532 -16.028 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.395 -17.341 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.210 -18.607 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -1.393 -17.192 0.152 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.471 -17.549 2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.414 -15.262 0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.065 -13.982 1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.023 -15.901 4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.409 -14.343 3.790 1.00 0.00 H new ATOM 1701 N ILE A 109 -6.369 -19.146 -0.943 1.00 0.00 N ATOM 1702 CA ILE A 109 -7.643 -19.297 -0.252 1.00 0.00 C ATOM 1703 C ILE A 109 -8.470 -20.423 -0.864 1.00 0.00 C ATOM 1704 O ILE A 109 -8.930 -21.323 -0.161 1.00 0.00 O ATOM 1705 CB ILE A 109 -8.463 -17.994 -0.290 1.00 0.00 C ATOM 1706 CG1 ILE A 109 -7.650 -16.837 0.294 1.00 0.00 C ATOM 1707 CG2 ILE A 109 -9.769 -18.167 0.471 1.00 0.00 C ATOM 1708 CD1 ILE A 109 -7.358 -16.988 1.770 1.00 0.00 C ATOM 0 H ILE A 109 -6.440 -18.737 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.412 -19.541 0.785 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.698 -17.761 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -6.708 -16.756 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.192 -15.905 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.337 -17.237 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.353 -18.967 0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.554 -18.421 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.779 -16.132 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.296 -17.039 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.789 -17.902 1.937 1.00 0.00 H new ATOM 1720 N LYS A 110 -8.653 -20.368 -2.178 1.00 0.00 N ATOM 1721 CA LYS A 110 -9.422 -21.383 -2.888 1.00 0.00 C ATOM 1722 C LYS A 110 -8.498 -22.400 -3.551 1.00 0.00 C ATOM 1723 O LYS A 110 -7.407 -22.071 -4.019 1.00 0.00 O ATOM 1724 CB LYS A 110 -10.319 -20.730 -3.941 1.00 0.00 C ATOM 1725 CG LYS A 110 -11.642 -20.230 -3.387 1.00 0.00 C ATOM 1726 CD LYS A 110 -12.561 -21.380 -3.013 1.00 0.00 C ATOM 1727 CE LYS A 110 -13.810 -20.887 -2.299 1.00 0.00 C ATOM 1728 NZ LYS A 110 -14.807 -21.976 -2.108 1.00 0.00 N ATOM 0 H LYS A 110 -8.279 -19.630 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.046 -21.904 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.785 -19.894 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.516 -21.450 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -11.459 -19.610 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -12.132 -19.598 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -12.846 -21.926 -3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -12.026 -22.080 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -13.534 -20.473 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -14.261 -20.078 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -15.643 -21.599 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.090 -22.354 -3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -14.385 -22.737 -1.538 1.00 0.00 H new ATOM 1742 N PRO A 111 -8.943 -23.664 -3.596 1.00 0.00 N ATOM 1743 CA PRO A 111 -8.172 -24.754 -4.202 1.00 0.00 C ATOM 1744 C PRO A 111 -8.084 -24.628 -5.719 1.00 0.00 C ATOM 1745 O PRO A 111 -8.574 -23.659 -6.301 1.00 0.00 O ATOM 1746 CB PRO A 111 -8.962 -26.006 -3.814 1.00 0.00 C ATOM 1747 CG PRO A 111 -10.355 -25.524 -3.602 1.00 0.00 C ATOM 1748 CD PRO A 111 -10.233 -24.128 -3.058 1.00 0.00 C ATOM 0 HA PRO A 111 -7.138 -24.762 -3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -8.919 -26.760 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.560 -26.464 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -10.916 -25.531 -4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.889 -26.169 -2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.057 -23.495 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.240 -24.119 -1.968 1.00 0.00 H new ATOM 1756 N LEU A 112 -7.458 -25.612 -6.355 1.00 0.00 N ATOM 1757 CA LEU A 112 -7.307 -25.612 -7.806 1.00 0.00 C ATOM 1758 C LEU A 112 -6.853 -26.979 -8.306 1.00 0.00 C ATOM 1759 O LEU A 112 -6.196 -27.741 -7.596 1.00 0.00 O ATOM 1760 CB LEU A 112 -6.302 -24.540 -8.233 1.00 0.00 C ATOM 1761 CG LEU A 112 -4.826 -24.920 -8.117 1.00 0.00 C ATOM 1762 CD1 LEU A 112 -4.390 -25.743 -9.320 1.00 0.00 C ATOM 1763 CD2 LEU A 112 -3.963 -23.673 -7.981 1.00 0.00 C ATOM 0 H LEU A 112 -7.047 -26.420 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.278 -25.388 -8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.507 -24.271 -9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.475 -23.648 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.697 -25.527 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.337 -26.004 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.986 -26.654 -9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.534 -25.161 -10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.915 -23.963 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.097 -23.040 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.258 -23.122 -7.088 1.00 0.00 H new ATOM 1775 N PRO A 113 -7.208 -27.299 -9.560 1.00 0.00 N ATOM 1776 CA PRO A 113 -6.845 -28.574 -10.184 1.00 0.00 C ATOM 1777 C PRO A 113 -5.352 -28.672 -10.478 1.00 0.00 C ATOM 1778 O PRO A 113 -4.866 -28.126 -11.470 1.00 0.00 O ATOM 1779 CB PRO A 113 -7.648 -28.571 -11.488 1.00 0.00 C ATOM 1780 CG PRO A 113 -7.869 -27.130 -11.793 1.00 0.00 C ATOM 1781 CD PRO A 113 -7.991 -26.439 -10.463 1.00 0.00 C ATOM 0 HA PRO A 113 -7.062 -29.422 -9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.102 -29.066 -12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.594 -29.101 -11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -7.039 -26.722 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.771 -26.991 -12.389 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -7.592 -25.425 -10.499 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.030 -26.362 -10.144 1.00 0.00 H new ATOM 1789 N THR A 114 -4.627 -29.371 -9.610 1.00 0.00 N ATOM 1790 CA THR A 114 -3.189 -29.540 -9.777 1.00 0.00 C ATOM 1791 C THR A 114 -2.846 -29.965 -11.199 1.00 0.00 C ATOM 1792 O THR A 114 -3.104 -31.102 -11.598 1.00 0.00 O ATOM 1793 CB THR A 114 -2.629 -30.583 -8.791 1.00 0.00 C ATOM 1794 OG1 THR A 114 -2.889 -30.174 -7.444 1.00 0.00 O ATOM 1795 CG2 THR A 114 -1.131 -30.765 -8.991 1.00 0.00 C ATOM 0 H THR A 114 -5.012 -29.829 -8.784 1.00 0.00 H new ATOM 0 HA THR A 114 -2.731 -28.573 -9.571 1.00 0.00 H new ATOM 0 HB THR A 114 -3.125 -31.535 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.531 -30.843 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.757 -31.506 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.938 -31.105 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.623 -29.815 -8.823 1.00 0.00 H new ATOM 1803 N LYS A 115 -2.263 -29.047 -11.962 1.00 0.00 N ATOM 1804 CA LYS A 115 -1.882 -29.327 -13.342 1.00 0.00 C ATOM 1805 C LYS A 115 -0.406 -29.700 -13.434 1.00 0.00 C ATOM 1806 O LYS A 115 0.339 -29.571 -12.462 1.00 0.00 O ATOM 1807 CB LYS A 115 -2.169 -28.114 -14.228 1.00 0.00 C ATOM 1808 CG LYS A 115 -3.631 -27.700 -14.239 1.00 0.00 C ATOM 1809 CD LYS A 115 -4.018 -27.055 -15.559 1.00 0.00 C ATOM 1810 CE LYS A 115 -3.638 -25.583 -15.593 1.00 0.00 C ATOM 1811 NZ LYS A 115 -4.719 -24.718 -15.043 1.00 0.00 N ATOM 0 H LYS A 115 -2.044 -28.102 -11.648 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.474 -30.172 -13.692 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.565 -27.274 -13.886 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.856 -28.337 -15.248 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.259 -28.573 -14.062 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.819 -27.002 -13.423 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.525 -27.578 -16.379 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.092 -27.158 -15.715 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.724 -25.431 -15.019 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.423 -25.287 -16.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.421 -23.722 -15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.585 -24.844 -15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.907 -24.983 -14.055 1.00 0.00 H new ATOM 1825 N LYS A 116 0.011 -30.161 -14.608 1.00 0.00 N ATOM 1826 CA LYS A 116 1.399 -30.549 -14.828 1.00 0.00 C ATOM 1827 C LYS A 116 2.345 -29.684 -14.000 1.00 0.00 C ATOM 1828 O LYS A 116 2.689 -28.569 -14.394 1.00 0.00 O ATOM 1829 CB LYS A 116 1.753 -30.433 -16.313 1.00 0.00 C ATOM 1830 CG LYS A 116 1.408 -29.082 -16.916 1.00 0.00 C ATOM 1831 CD LYS A 116 0.071 -29.119 -17.638 1.00 0.00 C ATOM 1832 CE LYS A 116 -0.635 -27.774 -17.573 1.00 0.00 C ATOM 1833 NZ LYS A 116 -0.217 -26.874 -18.683 1.00 0.00 N ATOM 0 H LYS A 116 -0.593 -30.275 -15.422 1.00 0.00 H new ATOM 0 HA LYS A 116 1.514 -31.586 -14.513 1.00 0.00 H new ATOM 0 HB2 LYS A 116 2.820 -30.616 -16.439 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.228 -31.213 -16.865 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.377 -28.328 -16.129 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.191 -28.783 -17.613 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.227 -29.399 -18.680 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.563 -29.886 -17.193 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.713 -27.927 -17.616 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.419 -27.296 -16.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -0.721 -25.968 -18.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.808 -26.707 -18.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.446 -27.318 -19.595 1.00 0.00 H new ATOM 1847 N THR A 117 2.763 -30.206 -12.851 1.00 0.00 N ATOM 1848 CA THR A 117 3.669 -29.482 -11.968 1.00 0.00 C ATOM 1849 C THR A 117 5.032 -29.284 -12.621 1.00 0.00 C ATOM 1850 O THR A 117 5.459 -30.091 -13.446 1.00 0.00 O ATOM 1851 CB THR A 117 3.856 -30.220 -10.629 1.00 0.00 C ATOM 1852 OG1 THR A 117 4.590 -29.397 -9.715 1.00 0.00 O ATOM 1853 CG2 THR A 117 4.588 -31.537 -10.834 1.00 0.00 C ATOM 0 H THR A 117 2.489 -31.127 -12.510 1.00 0.00 H new ATOM 0 HA THR A 117 3.216 -28.509 -11.778 1.00 0.00 H new ATOM 0 HB THR A 117 2.870 -30.432 -10.215 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.703 -29.872 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.708 -32.040 -9.874 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.012 -32.172 -11.507 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.569 -31.344 -11.268 1.00 0.00 H new ATOM 1861 N GLY A 118 5.712 -28.206 -12.245 1.00 0.00 N ATOM 1862 CA GLY A 118 7.021 -27.922 -12.804 1.00 0.00 C ATOM 1863 C GLY A 118 8.057 -27.633 -11.736 1.00 0.00 C ATOM 1864 O GLY A 118 8.692 -26.578 -11.746 1.00 0.00 O ATOM 0 H GLY A 118 5.380 -27.524 -11.563 1.00 0.00 H new ATOM 0 HA2 GLY A 118 7.349 -28.771 -13.403 1.00 0.00 H new ATOM 0 HA3 GLY A 118 6.948 -27.067 -13.476 1.00 0.00 H new ATOM 1868 N SER A 119 8.228 -28.571 -10.809 1.00 0.00 N ATOM 1869 CA SER A 119 9.191 -28.409 -9.726 1.00 0.00 C ATOM 1870 C SER A 119 10.536 -29.024 -10.099 1.00 0.00 C ATOM 1871 O SER A 119 10.627 -29.834 -11.020 1.00 0.00 O ATOM 1872 CB SER A 119 8.660 -29.053 -8.444 1.00 0.00 C ATOM 1873 OG SER A 119 9.403 -28.629 -7.314 1.00 0.00 O ATOM 0 H SER A 119 7.712 -29.451 -10.787 1.00 0.00 H new ATOM 0 HA SER A 119 9.334 -27.342 -9.556 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.610 -28.793 -8.311 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.711 -30.138 -8.530 1.00 0.00 H new ATOM 0 HG SER A 119 9.043 -29.053 -6.508 1.00 0.00 H new ATOM 1879 N GLY A 120 11.580 -28.632 -9.374 1.00 0.00 N ATOM 1880 CA GLY A 120 12.907 -29.153 -9.643 1.00 0.00 C ATOM 1881 C GLY A 120 13.440 -29.999 -8.503 1.00 0.00 C ATOM 1882 O GLY A 120 13.059 -29.828 -7.345 1.00 0.00 O ATOM 0 H GLY A 120 11.530 -27.963 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 120 12.881 -29.751 -10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 120 13.590 -28.323 -9.826 1.00 0.00 H new ATOM 1886 N PRO A 121 14.341 -30.937 -8.828 1.00 0.00 N ATOM 1887 CA PRO A 121 14.945 -31.832 -7.836 1.00 0.00 C ATOM 1888 C PRO A 121 15.900 -31.100 -6.900 1.00 0.00 C ATOM 1889 O PRO A 121 17.077 -30.923 -7.214 1.00 0.00 O ATOM 1890 CB PRO A 121 15.708 -32.847 -8.692 1.00 0.00 C ATOM 1891 CG PRO A 121 16.001 -32.126 -9.963 1.00 0.00 C ATOM 1892 CD PRO A 121 14.840 -31.197 -10.189 1.00 0.00 C ATOM 0 HA PRO A 121 14.196 -32.281 -7.183 1.00 0.00 H new ATOM 0 HB2 PRO A 121 16.625 -33.170 -8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 121 15.111 -33.741 -8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 121 16.936 -31.571 -9.890 1.00 0.00 H new ATOM 0 HG3 PRO A 121 16.109 -32.825 -10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 121 15.152 -30.278 -10.685 1.00 0.00 H new ATOM 0 HD3 PRO A 121 14.075 -31.655 -10.817 1.00 0.00 H new ATOM 1900 N SER A 122 15.386 -30.676 -5.750 1.00 0.00 N ATOM 1901 CA SER A 122 16.193 -29.960 -4.770 1.00 0.00 C ATOM 1902 C SER A 122 16.119 -30.638 -3.405 1.00 0.00 C ATOM 1903 O SER A 122 15.291 -31.522 -3.183 1.00 0.00 O ATOM 1904 CB SER A 122 15.725 -28.508 -4.656 1.00 0.00 C ATOM 1905 OG SER A 122 14.351 -28.440 -4.318 1.00 0.00 O ATOM 0 H SER A 122 14.414 -30.816 -5.474 1.00 0.00 H new ATOM 0 HA SER A 122 17.229 -29.975 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 122 16.315 -27.991 -3.899 1.00 0.00 H new ATOM 0 HB3 SER A 122 15.896 -27.992 -5.601 1.00 0.00 H new ATOM 0 HG SER A 122 14.077 -27.502 -4.250 1.00 0.00 H new ATOM 1911 N SER A 123 16.992 -30.218 -2.494 1.00 0.00 N ATOM 1912 CA SER A 123 17.029 -30.787 -1.152 1.00 0.00 C ATOM 1913 C SER A 123 17.601 -29.786 -0.153 1.00 0.00 C ATOM 1914 O SER A 123 18.671 -29.219 -0.369 1.00 0.00 O ATOM 1915 CB SER A 123 17.865 -32.069 -1.142 1.00 0.00 C ATOM 1916 OG SER A 123 17.805 -32.706 0.122 1.00 0.00 O ATOM 0 H SER A 123 17.683 -29.486 -2.661 1.00 0.00 H new ATOM 0 HA SER A 123 16.007 -31.025 -0.857 1.00 0.00 H new ATOM 0 HB2 SER A 123 17.503 -32.749 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 123 18.901 -31.833 -1.385 1.00 0.00 H new ATOM 0 HG SER A 123 18.346 -33.523 0.102 1.00 0.00 H new ATOM 1922 N GLY A 124 16.877 -29.573 0.942 1.00 0.00 N ATOM 1923 CA GLY A 124 17.327 -28.640 1.958 1.00 0.00 C ATOM 1924 C GLY A 124 16.442 -27.413 2.051 1.00 0.00 C ATOM 1925 O GLY A 124 15.318 -27.485 2.548 1.00 0.00 O ATOM 0 H GLY A 124 15.987 -30.030 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.348 -29.143 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.349 -28.331 1.737 1.00 0.00 H new TER 1929 GLY A 124