USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 837 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 32 GLN : amide:sc= -1.71 X(o=-0.69,f=-0.89) USER MOD Set 1.2: A 37 SER OG : rot -116:sc= 1.02 USER MOD Set 2.1: A 20 GLN : amide:sc= -6.03! C(o=-6!,f=-6.7!) USER MOD Set 2.2: A 24 TYR OH : rot 30:sc=-0.00514 USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.031 (180deg=-0.198) USER MOD Single : A 2 SER OG : rot -95:sc= 0.108 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.314 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.1! C(o=-2.1!,f=-3.3!) USER MOD Single : A 27 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0816 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.326 (180deg=0.0866) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -62:sc= 0.142 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.85! USER MOD Single : A 65 SER OG : rot 164:sc= -3.34! USER MOD Single : A 69 CYS SG : rot -48:sc= 0.287 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.911 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS :FLIP no HD1:sc= -11.6! C(o=-14!,f=-12!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0971 X(o=-0.097,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -55:sc= 1.21 USER MOD Single : A 103 GLN : amide:sc= -0.0235 K(o=-0.023,f=-0.9) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 63.034 -19.627 -6.014 1.00 0.00 N ATOM 2 CA GLY A 1 62.791 -18.228 -5.561 1.00 0.00 C ATOM 3 C GLY A 1 62.883 -18.159 -4.035 1.00 0.00 C ATOM 4 O GLY A 1 62.309 -17.293 -3.408 1.00 0.00 O ATOM 0 H1 GLY A 1 62.790 -19.713 -7.021 1.00 0.00 H new ATOM 0 H2 GLY A 1 64.037 -19.866 -5.879 1.00 0.00 H new ATOM 0 H3 GLY A 1 62.445 -20.279 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 1 63.523 -17.557 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 1 61.808 -17.894 -5.892 1.00 0.00 H new ATOM 10 N SER A 2 63.603 -19.067 -3.433 1.00 0.00 N ATOM 11 CA SER A 2 63.730 -19.053 -1.947 1.00 0.00 C ATOM 12 C SER A 2 64.966 -18.253 -1.529 1.00 0.00 C ATOM 13 O SER A 2 65.910 -18.113 -2.280 1.00 0.00 O ATOM 14 CB SER A 2 63.880 -20.520 -1.550 1.00 0.00 C ATOM 15 OG SER A 2 64.660 -21.193 -2.529 1.00 0.00 O ATOM 0 H SER A 2 64.108 -19.817 -3.905 1.00 0.00 H new ATOM 0 HA SER A 2 62.872 -18.586 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.356 -20.597 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 2 62.899 -20.988 -1.465 1.00 0.00 H new ATOM 0 HG SER A 2 64.067 -21.623 -3.180 1.00 0.00 H new ATOM 21 N LEU A 3 64.967 -17.726 -0.335 1.00 0.00 N ATOM 22 CA LEU A 3 66.143 -16.935 0.130 1.00 0.00 C ATOM 23 C LEU A 3 66.184 -16.897 1.661 1.00 0.00 C ATOM 24 O LEU A 3 66.059 -15.854 2.270 1.00 0.00 O ATOM 25 CB LEU A 3 65.927 -15.531 -0.436 1.00 0.00 C ATOM 26 CG LEU A 3 64.494 -15.081 -0.150 1.00 0.00 C ATOM 27 CD1 LEU A 3 64.505 -13.640 0.365 1.00 0.00 C ATOM 28 CD2 LEU A 3 63.670 -15.153 -1.438 1.00 0.00 C ATOM 0 H LEU A 3 64.205 -17.809 0.338 1.00 0.00 H new ATOM 0 HA LEU A 3 67.087 -17.367 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 3 66.635 -14.834 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 3 66.113 -15.528 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 3 64.052 -15.734 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 3 63.484 -13.319 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.092 -13.586 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.947 -12.988 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 3 62.648 -14.832 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 3 64.113 -14.500 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 3 63.662 -16.178 -1.808 1.00 0.00 H new ATOM 40 N GLN A 4 66.358 -18.029 2.287 1.00 0.00 N ATOM 41 CA GLN A 4 66.407 -18.058 3.776 1.00 0.00 C ATOM 42 C GLN A 4 67.853 -17.909 4.260 1.00 0.00 C ATOM 43 O GLN A 4 68.690 -18.753 4.012 1.00 0.00 O ATOM 44 CB GLN A 4 65.850 -19.428 4.165 1.00 0.00 C ATOM 45 CG GLN A 4 64.720 -19.251 5.181 1.00 0.00 C ATOM 46 CD GLN A 4 64.105 -20.614 5.503 1.00 0.00 C ATOM 47 OE1 GLN A 4 64.645 -21.367 6.290 1.00 0.00 O ATOM 48 NE2 GLN A 4 62.989 -20.966 4.924 1.00 0.00 N ATOM 0 H GLN A 4 66.468 -18.935 1.831 1.00 0.00 H new ATOM 0 HA GLN A 4 65.836 -17.245 4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 4 65.480 -19.946 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 4 66.641 -20.047 4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 4 65.104 -18.789 6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 4 63.958 -18.582 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 4 62.536 -20.334 4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 4 62.570 -21.873 5.132 1.00 0.00 H new ATOM 57 N ASP A 5 68.152 -16.840 4.947 1.00 0.00 N ATOM 58 CA ASP A 5 69.543 -16.639 5.445 1.00 0.00 C ATOM 59 C ASP A 5 70.010 -17.872 6.223 1.00 0.00 C ATOM 60 O ASP A 5 69.360 -18.317 7.148 1.00 0.00 O ATOM 61 CB ASP A 5 69.465 -15.422 6.365 1.00 0.00 C ATOM 62 CG ASP A 5 69.291 -14.157 5.523 1.00 0.00 C ATOM 63 OD1 ASP A 5 70.179 -13.865 4.738 1.00 0.00 O ATOM 64 OD2 ASP A 5 68.275 -13.500 5.677 1.00 0.00 O ATOM 0 H ASP A 5 67.494 -16.098 5.185 1.00 0.00 H new ATOM 0 HA ASP A 5 70.254 -16.489 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 5 68.630 -15.529 7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 5 70.371 -15.349 6.967 1.00 0.00 H new ATOM 69 N ASN A 6 71.132 -18.427 5.856 1.00 0.00 N ATOM 70 CA ASN A 6 71.639 -19.632 6.575 1.00 0.00 C ATOM 71 C ASN A 6 72.558 -19.212 7.726 1.00 0.00 C ATOM 72 O ASN A 6 73.460 -19.932 8.107 1.00 0.00 O ATOM 73 CB ASN A 6 72.421 -20.421 5.526 1.00 0.00 C ATOM 74 CG ASN A 6 71.517 -21.495 4.917 1.00 0.00 C ATOM 75 OD1 ASN A 6 71.196 -21.443 3.746 1.00 0.00 O ATOM 76 ND2 ASN A 6 71.092 -22.474 5.667 1.00 0.00 N ATOM 0 H ASN A 6 71.720 -18.099 5.090 1.00 0.00 H new ATOM 0 HA ASN A 6 70.833 -20.222 7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 6 72.783 -19.751 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 6 73.297 -20.883 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 6 70.490 -23.196 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 6 71.361 -22.518 6.650 1.00 0.00 H new ATOM 83 N SER A 7 72.336 -18.052 8.282 1.00 0.00 N ATOM 84 CA SER A 7 73.195 -17.586 9.407 1.00 0.00 C ATOM 85 C SER A 7 74.651 -17.467 8.946 1.00 0.00 C ATOM 86 O SER A 7 75.219 -18.396 8.409 1.00 0.00 O ATOM 87 CB SER A 7 73.059 -18.663 10.481 1.00 0.00 C ATOM 88 OG SER A 7 73.129 -18.056 11.765 1.00 0.00 O ATOM 0 H SER A 7 71.596 -17.407 8.005 1.00 0.00 H new ATOM 0 HA SER A 7 72.897 -16.604 9.775 1.00 0.00 H new ATOM 0 HB2 SER A 7 72.112 -19.190 10.366 1.00 0.00 H new ATOM 0 HB3 SER A 7 73.851 -19.404 10.372 1.00 0.00 H new ATOM 0 HG SER A 7 73.040 -18.744 12.457 1.00 0.00 H new ATOM 94 N SER A 8 75.257 -16.330 9.154 1.00 0.00 N ATOM 95 CA SER A 8 76.675 -16.153 8.728 1.00 0.00 C ATOM 96 C SER A 8 76.850 -16.582 7.270 1.00 0.00 C ATOM 97 O SER A 8 75.909 -16.980 6.612 1.00 0.00 O ATOM 98 CB SER A 8 77.484 -17.060 9.653 1.00 0.00 C ATOM 99 OG SER A 8 78.859 -16.982 9.302 1.00 0.00 O ATOM 0 H SER A 8 74.832 -15.517 9.600 1.00 0.00 H new ATOM 0 HA SER A 8 76.996 -15.113 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 8 77.344 -16.758 10.691 1.00 0.00 H new ATOM 0 HB3 SER A 8 77.133 -18.089 9.570 1.00 0.00 H new ATOM 0 HG SER A 8 79.381 -17.562 9.895 1.00 0.00 H new ATOM 105 N TYR A 9 78.047 -16.505 6.759 1.00 0.00 N ATOM 106 CA TYR A 9 78.280 -16.908 5.342 1.00 0.00 C ATOM 107 C TYR A 9 79.768 -16.790 4.998 1.00 0.00 C ATOM 108 O TYR A 9 80.470 -15.970 5.553 1.00 0.00 O ATOM 109 CB TYR A 9 77.459 -15.921 4.513 1.00 0.00 C ATOM 110 CG TYR A 9 78.101 -14.556 4.576 1.00 0.00 C ATOM 111 CD1 TYR A 9 78.059 -13.816 5.763 1.00 0.00 C ATOM 112 CD2 TYR A 9 78.741 -14.032 3.446 1.00 0.00 C ATOM 113 CE1 TYR A 9 78.656 -12.550 5.820 1.00 0.00 C ATOM 114 CE2 TYR A 9 79.338 -12.767 3.504 1.00 0.00 C ATOM 115 CZ TYR A 9 79.295 -12.026 4.690 1.00 0.00 C ATOM 116 OH TYR A 9 79.883 -10.779 4.747 1.00 0.00 O ATOM 0 H TYR A 9 78.874 -16.181 7.260 1.00 0.00 H new ATOM 0 HA TYR A 9 77.991 -17.942 5.152 1.00 0.00 H new ATOM 0 HB2 TYR A 9 77.400 -16.259 3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 9 76.438 -15.872 4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 9 77.567 -14.221 6.635 1.00 0.00 H new ATOM 0 HD2 TYR A 9 78.774 -14.603 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 9 78.623 -11.978 6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 9 79.832 -12.363 2.633 1.00 0.00 H new ATOM 0 HH TYR A 9 80.283 -10.566 3.878 1.00 0.00 H new ATOM 126 N PRO A 10 80.194 -17.621 4.087 1.00 0.00 N ATOM 127 CA PRO A 10 81.614 -17.615 3.658 1.00 0.00 C ATOM 128 C PRO A 10 82.023 -16.214 3.194 1.00 0.00 C ATOM 129 O PRO A 10 81.217 -15.308 3.143 1.00 0.00 O ATOM 130 CB PRO A 10 81.656 -18.607 2.497 1.00 0.00 C ATOM 131 CG PRO A 10 80.429 -19.451 2.643 1.00 0.00 C ATOM 132 CD PRO A 10 79.403 -18.632 3.380 1.00 0.00 C ATOM 0 HA PRO A 10 82.301 -17.886 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 10 81.663 -18.088 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 10 82.558 -19.217 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 10 80.051 -19.750 1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 10 80.655 -20.366 3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 10 78.691 -18.173 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 10 78.827 -19.245 4.074 1.00 0.00 H new ATOM 140 N ASP A 11 83.270 -16.032 2.853 1.00 0.00 N ATOM 141 CA ASP A 11 83.728 -14.692 2.393 1.00 0.00 C ATOM 142 C ASP A 11 84.895 -14.839 1.412 1.00 0.00 C ATOM 143 O ASP A 11 86.043 -14.907 1.804 1.00 0.00 O ATOM 144 CB ASP A 11 84.180 -13.970 3.662 1.00 0.00 C ATOM 145 CG ASP A 11 83.086 -13.002 4.116 1.00 0.00 C ATOM 146 OD1 ASP A 11 82.049 -12.969 3.474 1.00 0.00 O ATOM 147 OD2 ASP A 11 83.302 -12.312 5.098 1.00 0.00 O ATOM 0 H ASP A 11 83.990 -16.754 2.873 1.00 0.00 H new ATOM 0 HA ASP A 11 82.943 -14.144 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 11 84.390 -14.694 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 11 85.106 -13.427 3.474 1.00 0.00 H new ATOM 152 N GLU A 12 84.609 -14.887 0.139 1.00 0.00 N ATOM 153 CA GLU A 12 85.703 -15.028 -0.864 1.00 0.00 C ATOM 154 C GLU A 12 86.302 -13.657 -1.215 1.00 0.00 C ATOM 155 O GLU A 12 87.501 -13.535 -1.364 1.00 0.00 O ATOM 156 CB GLU A 12 85.048 -15.665 -2.092 1.00 0.00 C ATOM 157 CG GLU A 12 84.282 -16.921 -1.673 1.00 0.00 C ATOM 158 CD GLU A 12 85.138 -18.157 -1.955 1.00 0.00 C ATOM 159 OE1 GLU A 12 85.465 -18.376 -3.109 1.00 0.00 O ATOM 160 OE2 GLU A 12 85.453 -18.863 -1.011 1.00 0.00 O ATOM 0 H GLU A 12 83.667 -14.835 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 12 86.524 -15.635 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 12 84.370 -14.954 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 12 85.808 -15.920 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 12 84.033 -16.872 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 12 83.341 -16.985 -2.219 1.00 0.00 H new ATOM 167 N PRO A 13 85.453 -12.664 -1.335 1.00 0.00 N ATOM 168 CA PRO A 13 85.937 -11.300 -1.671 1.00 0.00 C ATOM 169 C PRO A 13 86.951 -10.823 -0.627 1.00 0.00 C ATOM 170 O PRO A 13 87.925 -10.170 -0.946 1.00 0.00 O ATOM 171 CB PRO A 13 84.677 -10.434 -1.634 1.00 0.00 C ATOM 172 CG PRO A 13 83.530 -11.390 -1.736 1.00 0.00 C ATOM 173 CD PRO A 13 83.995 -12.706 -1.175 1.00 0.00 C ATOM 0 HA PRO A 13 86.442 -11.258 -2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 13 84.625 -9.856 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 13 84.667 -9.720 -2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 13 82.669 -11.018 -1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 13 83.215 -11.504 -2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 13 83.711 -12.816 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 13 83.558 -13.547 -1.714 1.00 0.00 H new ATOM 181 N TRP A 14 86.728 -11.143 0.618 1.00 0.00 N ATOM 182 CA TRP A 14 87.677 -10.707 1.685 1.00 0.00 C ATOM 183 C TRP A 14 88.709 -11.807 1.947 1.00 0.00 C ATOM 184 O TRP A 14 89.194 -11.967 3.050 1.00 0.00 O ATOM 185 CB TRP A 14 86.812 -10.483 2.929 1.00 0.00 C ATOM 186 CG TRP A 14 85.540 -9.792 2.550 1.00 0.00 C ATOM 187 CD1 TRP A 14 84.355 -9.953 3.182 1.00 0.00 C ATOM 188 CD2 TRP A 14 85.304 -8.841 1.471 1.00 0.00 C ATOM 189 NE1 TRP A 14 83.406 -9.161 2.561 1.00 0.00 N ATOM 190 CE2 TRP A 14 83.942 -8.457 1.501 1.00 0.00 C ATOM 191 CE3 TRP A 14 86.129 -8.280 0.480 1.00 0.00 C ATOM 192 CZ2 TRP A 14 83.417 -7.548 0.580 1.00 0.00 C ATOM 193 CZ3 TRP A 14 85.604 -7.364 -0.447 1.00 0.00 C ATOM 194 CH2 TRP A 14 84.252 -6.999 -0.398 1.00 0.00 C ATOM 0 H TRP A 14 85.930 -11.688 0.944 1.00 0.00 H new ATOM 0 HA TRP A 14 88.225 -9.807 1.405 1.00 0.00 H new ATOM 0 HB2 TRP A 14 86.589 -11.438 3.404 1.00 0.00 H new ATOM 0 HB3 TRP A 14 87.357 -9.884 3.658 1.00 0.00 H new ATOM 0 HD1 TRP A 14 84.179 -10.595 4.032 1.00 0.00 H new ATOM 0 HE1 TRP A 14 82.430 -9.104 2.851 1.00 0.00 H new ATOM 0 HE3 TRP A 14 87.172 -8.555 0.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 82.374 -7.271 0.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 86.247 -6.938 -1.203 1.00 0.00 H new ATOM 0 HH2 TRP A 14 83.856 -6.295 -1.114 1.00 0.00 H new ATOM 205 N ARG A 15 89.042 -12.568 0.942 1.00 0.00 N ATOM 206 CA ARG A 15 90.035 -13.664 1.130 1.00 0.00 C ATOM 207 C ARG A 15 91.325 -13.125 1.757 1.00 0.00 C ATOM 208 O ARG A 15 92.041 -12.345 1.161 1.00 0.00 O ATOM 209 CB ARG A 15 90.303 -14.194 -0.279 1.00 0.00 C ATOM 210 CG ARG A 15 89.852 -15.652 -0.366 1.00 0.00 C ATOM 211 CD ARG A 15 90.971 -16.563 0.143 1.00 0.00 C ATOM 212 NE ARG A 15 90.872 -17.793 -0.689 1.00 0.00 N ATOM 213 CZ ARG A 15 91.727 -17.997 -1.653 1.00 0.00 C ATOM 214 NH1 ARG A 15 92.982 -18.218 -1.374 1.00 0.00 N ATOM 215 NH2 ARG A 15 91.326 -17.978 -2.895 1.00 0.00 N ATOM 0 H ARG A 15 88.669 -12.479 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 15 89.667 -14.441 1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 15 89.769 -13.592 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 15 91.365 -14.115 -0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 15 88.949 -15.801 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 15 89.602 -15.906 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 15 91.947 -16.089 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 15 90.844 -16.791 1.201 1.00 0.00 H new ATOM 0 HE ARG A 15 90.137 -18.476 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 15 93.294 -18.231 -0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 15 93.651 -18.378 -2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 15 90.345 -17.804 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 15 91.994 -18.137 -3.649 1.00 0.00 H new ATOM 229 N ILE A 16 91.626 -13.546 2.954 1.00 0.00 N ATOM 230 CA ILE A 16 92.870 -13.074 3.628 1.00 0.00 C ATOM 231 C ILE A 16 93.065 -13.839 4.942 1.00 0.00 C ATOM 232 O ILE A 16 92.609 -14.957 5.090 1.00 0.00 O ATOM 233 CB ILE A 16 92.652 -11.574 3.874 1.00 0.00 C ATOM 234 CG1 ILE A 16 94.011 -10.876 3.989 1.00 0.00 C ATOM 235 CG2 ILE A 16 91.852 -11.352 5.162 1.00 0.00 C ATOM 236 CD1 ILE A 16 94.280 -10.070 2.717 1.00 0.00 C ATOM 0 H ILE A 16 91.062 -14.199 3.497 1.00 0.00 H new ATOM 0 HA ILE A 16 93.766 -13.244 3.031 1.00 0.00 H new ATOM 0 HB ILE A 16 92.091 -11.157 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 16 94.021 -10.218 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 16 94.799 -11.614 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 16 91.707 -10.283 5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 16 90.882 -11.841 5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.398 -11.773 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 16 95.247 -9.573 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 16 94.287 -10.739 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 16 93.498 -9.322 2.588 1.00 0.00 H new ATOM 248 N THR A 17 93.733 -13.255 5.895 1.00 0.00 N ATOM 249 CA THR A 17 93.946 -13.962 7.191 1.00 0.00 C ATOM 250 C THR A 17 94.672 -13.052 8.181 1.00 0.00 C ATOM 251 O THR A 17 95.873 -13.129 8.349 1.00 0.00 O ATOM 252 CB THR A 17 94.808 -15.178 6.846 1.00 0.00 C ATOM 253 OG1 THR A 17 95.250 -15.796 8.046 1.00 0.00 O ATOM 254 CG2 THR A 17 96.019 -14.733 6.024 1.00 0.00 C ATOM 0 H THR A 17 94.140 -12.322 5.835 1.00 0.00 H new ATOM 0 HA THR A 17 93.005 -14.250 7.660 1.00 0.00 H new ATOM 0 HB THR A 17 94.220 -15.888 6.264 1.00 0.00 H new ATOM 0 HG1 THR A 17 95.801 -16.576 7.828 1.00 0.00 H new ATOM 0 HG21 THR A 17 96.632 -15.601 5.779 1.00 0.00 H new ATOM 0 HG22 THR A 17 95.679 -14.258 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 17 96.610 -14.023 6.602 1.00 0.00 H new ATOM 262 N GLU A 18 93.948 -12.191 8.840 1.00 0.00 N ATOM 263 CA GLU A 18 94.586 -11.272 9.824 1.00 0.00 C ATOM 264 C GLU A 18 95.747 -10.512 9.177 1.00 0.00 C ATOM 265 O GLU A 18 96.575 -9.935 9.853 1.00 0.00 O ATOM 266 CB GLU A 18 95.088 -12.187 10.941 1.00 0.00 C ATOM 267 CG GLU A 18 94.176 -12.048 12.161 1.00 0.00 C ATOM 268 CD GLU A 18 94.993 -12.260 13.438 1.00 0.00 C ATOM 269 OE1 GLU A 18 96.122 -12.706 13.328 1.00 0.00 O ATOM 270 OE2 GLU A 18 94.473 -11.971 14.503 1.00 0.00 O ATOM 0 H GLU A 18 92.939 -12.084 8.739 1.00 0.00 H new ATOM 0 HA GLU A 18 93.894 -10.516 10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 18 95.102 -13.222 10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 18 96.112 -11.926 11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 18 93.714 -11.061 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 18 93.368 -12.777 12.109 1.00 0.00 H new ATOM 277 N GLU A 19 95.806 -10.492 7.873 1.00 0.00 N ATOM 278 CA GLU A 19 96.899 -9.754 7.188 1.00 0.00 C ATOM 279 C GLU A 19 96.385 -8.376 6.780 1.00 0.00 C ATOM 280 O GLU A 19 97.101 -7.396 6.806 1.00 0.00 O ATOM 281 CB GLU A 19 97.241 -10.592 5.956 1.00 0.00 C ATOM 282 CG GLU A 19 98.521 -11.385 6.218 1.00 0.00 C ATOM 283 CD GLU A 19 98.701 -12.443 5.127 1.00 0.00 C ATOM 284 OE1 GLU A 19 98.115 -12.279 4.070 1.00 0.00 O ATOM 285 OE2 GLU A 19 99.421 -13.398 5.368 1.00 0.00 O ATOM 0 H GLU A 19 95.142 -10.957 7.254 1.00 0.00 H new ATOM 0 HA GLU A 19 97.775 -9.608 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 19 96.420 -11.271 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 19 97.372 -9.945 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.380 -10.714 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.472 -11.862 7.197 1.00 0.00 H new ATOM 292 N GLN A 20 95.135 -8.301 6.424 1.00 0.00 N ATOM 293 CA GLN A 20 94.547 -6.996 6.034 1.00 0.00 C ATOM 294 C GLN A 20 93.529 -6.577 7.096 1.00 0.00 C ATOM 295 O GLN A 20 93.337 -5.408 7.363 1.00 0.00 O ATOM 296 CB GLN A 20 93.870 -7.242 4.684 1.00 0.00 C ATOM 297 CG GLN A 20 92.543 -7.979 4.892 1.00 0.00 C ATOM 298 CD GLN A 20 91.835 -8.172 3.546 1.00 0.00 C ATOM 299 OE1 GLN A 20 90.915 -8.958 3.443 1.00 0.00 O ATOM 300 NE2 GLN A 20 92.223 -7.487 2.503 1.00 0.00 N ATOM 0 H GLN A 20 94.493 -9.093 6.387 1.00 0.00 H new ATOM 0 HA GLN A 20 95.287 -6.199 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 20 93.693 -6.293 4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 20 94.525 -7.829 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 20 92.724 -8.947 5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 20 91.905 -7.412 5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 20 92.995 -6.826 2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 20 91.753 -7.613 1.606 1.00 0.00 H new ATOM 309 N ARG A 21 92.891 -7.535 7.714 1.00 0.00 N ATOM 310 CA ARG A 21 91.896 -7.211 8.772 1.00 0.00 C ATOM 311 C ARG A 21 92.620 -6.723 10.026 1.00 0.00 C ATOM 312 O ARG A 21 92.074 -5.995 10.827 1.00 0.00 O ATOM 313 CB ARG A 21 91.168 -8.526 9.046 1.00 0.00 C ATOM 314 CG ARG A 21 89.672 -8.345 8.780 1.00 0.00 C ATOM 315 CD ARG A 21 89.210 -9.369 7.740 1.00 0.00 C ATOM 316 NE ARG A 21 88.777 -10.553 8.532 1.00 0.00 N ATOM 317 CZ ARG A 21 87.547 -10.982 8.446 1.00 0.00 C ATOM 318 NH1 ARG A 21 86.921 -10.941 7.302 1.00 0.00 N ATOM 319 NH2 ARG A 21 86.945 -11.454 9.503 1.00 0.00 N ATOM 0 H ARG A 21 93.018 -8.530 7.530 1.00 0.00 H new ATOM 0 HA ARG A 21 91.205 -6.423 8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 21 91.569 -9.315 8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 21 91.330 -8.836 10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 21 89.110 -8.471 9.705 1.00 0.00 H new ATOM 0 HG3 ARG A 21 89.475 -7.334 8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 21 88.391 -8.977 7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 21 90.017 -9.627 7.054 1.00 0.00 H new ATOM 0 HE ARG A 21 89.442 -11.029 9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 21 87.393 -10.574 6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 21 85.960 -11.276 7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 21 87.435 -11.488 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 21 85.984 -11.789 9.436 1.00 0.00 H new ATOM 333 N GLU A 22 93.852 -7.115 10.198 1.00 0.00 N ATOM 334 CA GLU A 22 94.612 -6.662 11.396 1.00 0.00 C ATOM 335 C GLU A 22 94.642 -5.134 11.427 1.00 0.00 C ATOM 336 O GLU A 22 94.345 -4.516 12.430 1.00 0.00 O ATOM 337 CB GLU A 22 96.022 -7.225 11.212 1.00 0.00 C ATOM 338 CG GLU A 22 96.183 -8.495 12.050 1.00 0.00 C ATOM 339 CD GLU A 22 97.658 -8.901 12.082 1.00 0.00 C ATOM 340 OE1 GLU A 22 98.313 -8.756 11.062 1.00 0.00 O ATOM 341 OE2 GLU A 22 98.106 -9.348 13.123 1.00 0.00 O ATOM 0 H GLU A 22 94.364 -7.727 9.563 1.00 0.00 H new ATOM 0 HA GLU A 22 94.166 -7.000 12.331 1.00 0.00 H new ATOM 0 HB2 GLU A 22 96.201 -7.447 10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 22 96.762 -6.483 11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 22 95.820 -8.323 13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 22 95.582 -9.301 11.628 1.00 0.00 H new ATOM 348 N TYR A 23 94.991 -4.522 10.329 1.00 0.00 N ATOM 349 CA TYR A 23 95.031 -3.033 10.286 1.00 0.00 C ATOM 350 C TYR A 23 93.611 -2.474 10.160 1.00 0.00 C ATOM 351 O TYR A 23 93.264 -1.489 10.779 1.00 0.00 O ATOM 352 CB TYR A 23 95.854 -2.694 9.044 1.00 0.00 C ATOM 353 CG TYR A 23 96.068 -1.200 8.976 1.00 0.00 C ATOM 354 CD1 TYR A 23 97.151 -0.618 9.643 1.00 0.00 C ATOM 355 CD2 TYR A 23 95.180 -0.398 8.248 1.00 0.00 C ATOM 356 CE1 TYR A 23 97.348 0.766 9.582 1.00 0.00 C ATOM 357 CE2 TYR A 23 95.376 0.986 8.188 1.00 0.00 C ATOM 358 CZ TYR A 23 96.461 1.569 8.855 1.00 0.00 C ATOM 359 OH TYR A 23 96.655 2.934 8.795 1.00 0.00 O ATOM 0 H TYR A 23 95.250 -4.989 9.460 1.00 0.00 H new ATOM 0 HA TYR A 23 95.464 -2.603 11.189 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.814 -3.209 9.079 1.00 0.00 H new ATOM 0 HB3 TYR A 23 95.339 -3.040 8.148 1.00 0.00 H new ATOM 0 HD1 TYR A 23 97.835 -1.237 10.205 1.00 0.00 H new ATOM 0 HD2 TYR A 23 94.344 -0.848 7.733 1.00 0.00 H new ATOM 0 HE1 TYR A 23 98.185 1.215 10.096 1.00 0.00 H new ATOM 0 HE2 TYR A 23 94.691 1.605 7.628 1.00 0.00 H new ATOM 0 HH TYR A 23 95.950 3.341 8.249 1.00 0.00 H new ATOM 369 N TYR A 24 92.785 -3.100 9.364 1.00 0.00 N ATOM 370 CA TYR A 24 91.386 -2.606 9.200 1.00 0.00 C ATOM 371 C TYR A 24 90.727 -2.429 10.572 1.00 0.00 C ATOM 372 O TYR A 24 90.414 -1.328 10.983 1.00 0.00 O ATOM 373 CB TYR A 24 90.667 -3.698 8.398 1.00 0.00 C ATOM 374 CG TYR A 24 91.257 -3.803 7.007 1.00 0.00 C ATOM 375 CD1 TYR A 24 91.985 -2.735 6.461 1.00 0.00 C ATOM 376 CD2 TYR A 24 91.069 -4.974 6.256 1.00 0.00 C ATOM 377 CE1 TYR A 24 92.521 -2.839 5.172 1.00 0.00 C ATOM 378 CE2 TYR A 24 91.608 -5.074 4.968 1.00 0.00 C ATOM 379 CZ TYR A 24 92.331 -4.007 4.425 1.00 0.00 C ATOM 380 OH TYR A 24 92.861 -4.107 3.154 1.00 0.00 O ATOM 0 H TYR A 24 93.018 -3.931 8.821 1.00 0.00 H new ATOM 0 HA TYR A 24 91.346 -1.640 8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 24 90.757 -4.655 8.912 1.00 0.00 H new ATOM 0 HB3 TYR A 24 89.603 -3.470 8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 24 92.132 -1.832 7.035 1.00 0.00 H new ATOM 0 HD2 TYR A 24 90.508 -5.798 6.672 1.00 0.00 H new ATOM 0 HE1 TYR A 24 93.082 -2.017 4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 24 91.465 -5.977 4.393 1.00 0.00 H new ATOM 0 HH TYR A 24 93.678 -3.568 3.097 1.00 0.00 H new ATOM 390 N VAL A 25 90.517 -3.502 11.283 1.00 0.00 N ATOM 391 CA VAL A 25 89.879 -3.396 12.626 1.00 0.00 C ATOM 392 C VAL A 25 90.743 -2.538 13.556 1.00 0.00 C ATOM 393 O VAL A 25 90.248 -1.896 14.460 1.00 0.00 O ATOM 394 CB VAL A 25 89.801 -4.835 13.138 1.00 0.00 C ATOM 395 CG1 VAL A 25 89.065 -4.861 14.479 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.043 -5.694 12.123 1.00 0.00 C ATOM 0 H VAL A 25 90.760 -4.449 10.992 1.00 0.00 H new ATOM 0 HA VAL A 25 88.897 -2.924 12.583 1.00 0.00 H new ATOM 0 HB VAL A 25 90.808 -5.230 13.270 1.00 0.00 H new ATOM 0 HG11 VAL A 25 89.009 -5.887 14.844 1.00 0.00 H new ATOM 0 HG12 VAL A 25 89.603 -4.248 15.201 1.00 0.00 H new ATOM 0 HG13 VAL A 25 88.057 -4.467 14.349 1.00 0.00 H new ATOM 0 HG21 VAL A 25 88.986 -6.720 12.486 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.036 -5.299 11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.567 -5.675 11.167 1.00 0.00 H new ATOM 406 N ASN A 26 92.031 -2.523 13.341 1.00 0.00 N ATOM 407 CA ASN A 26 92.922 -1.705 14.214 1.00 0.00 C ATOM 408 C ASN A 26 92.578 -0.219 14.075 1.00 0.00 C ATOM 409 O ASN A 26 92.776 0.562 14.984 1.00 0.00 O ATOM 410 CB ASN A 26 94.339 -1.977 13.708 1.00 0.00 C ATOM 411 CG ASN A 26 95.322 -1.051 14.426 1.00 0.00 C ATOM 412 OD1 ASN A 26 94.944 -0.322 15.322 1.00 0.00 O ATOM 413 ND2 ASN A 26 96.577 -1.049 14.071 1.00 0.00 N ATOM 0 H ASN A 26 92.504 -3.041 12.600 1.00 0.00 H new ATOM 0 HA ASN A 26 92.812 -1.960 15.268 1.00 0.00 H new ATOM 0 HB2 ASN A 26 94.607 -3.018 13.886 1.00 0.00 H new ATOM 0 HB3 ASN A 26 94.390 -1.815 12.631 1.00 0.00 H new ATOM 0 HD21 ASN A 26 97.240 -0.436 14.545 1.00 0.00 H new ATOM 0 HD22 ASN A 26 96.895 -1.660 13.319 1.00 0.00 H new ATOM 420 N GLN A 27 92.055 0.175 12.946 1.00 0.00 N ATOM 421 CA GLN A 27 91.693 1.604 12.753 1.00 0.00 C ATOM 422 C GLN A 27 90.292 1.855 13.329 1.00 0.00 C ATOM 423 O GLN A 27 90.099 2.708 14.171 1.00 0.00 O ATOM 424 CB GLN A 27 91.732 1.803 11.230 1.00 0.00 C ATOM 425 CG GLN A 27 90.656 2.798 10.787 1.00 0.00 C ATOM 426 CD GLN A 27 90.981 4.184 11.345 1.00 0.00 C ATOM 427 OE1 GLN A 27 90.504 4.553 12.400 1.00 0.00 O ATOM 428 NE2 GLN A 27 91.778 4.973 10.677 1.00 0.00 N ATOM 0 H GLN A 27 91.863 -0.433 12.150 1.00 0.00 H new ATOM 0 HA GLN A 27 92.363 2.299 13.259 1.00 0.00 H new ATOM 0 HB2 GLN A 27 92.715 2.166 10.931 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.579 0.847 10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.606 2.835 9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 27 89.677 2.473 11.140 1.00 0.00 H new ATOM 0 HE21 GLN A 27 92.178 4.663 9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 27 92.001 5.900 11.041 1.00 0.00 H new ATOM 437 N PHE A 28 89.319 1.108 12.884 1.00 0.00 N ATOM 438 CA PHE A 28 87.935 1.292 13.405 1.00 0.00 C ATOM 439 C PHE A 28 87.954 1.309 14.936 1.00 0.00 C ATOM 440 O PHE A 28 87.071 1.849 15.572 1.00 0.00 O ATOM 441 CB PHE A 28 87.159 0.081 12.879 1.00 0.00 C ATOM 442 CG PHE A 28 85.802 0.000 13.541 1.00 0.00 C ATOM 443 CD1 PHE A 28 85.694 -0.322 14.901 1.00 0.00 C ATOM 444 CD2 PHE A 28 84.649 0.239 12.788 1.00 0.00 C ATOM 445 CE1 PHE A 28 84.432 -0.403 15.502 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.389 0.158 13.389 1.00 0.00 C ATOM 447 CZ PHE A 28 83.279 -0.163 14.746 1.00 0.00 C ATOM 0 H PHE A 28 89.423 0.377 12.181 1.00 0.00 H new ATOM 0 HA PHE A 28 87.483 2.231 13.086 1.00 0.00 H new ATOM 0 HB2 PHE A 28 87.040 0.158 11.798 1.00 0.00 H new ATOM 0 HB3 PHE A 28 87.721 -0.832 13.073 1.00 0.00 H new ATOM 0 HD1 PHE A 28 86.584 -0.507 15.485 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.731 0.487 11.740 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.348 -0.651 16.550 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.500 0.343 12.805 1.00 0.00 H new ATOM 0 HZ PHE A 28 82.306 -0.226 15.210 1.00 0.00 H new ATOM 457 N ARG A 29 88.957 0.723 15.532 1.00 0.00 N ATOM 458 CA ARG A 29 89.034 0.707 17.021 1.00 0.00 C ATOM 459 C ARG A 29 89.278 2.123 17.550 1.00 0.00 C ATOM 460 O ARG A 29 88.647 2.562 18.490 1.00 0.00 O ATOM 461 CB ARG A 29 90.218 -0.201 17.350 1.00 0.00 C ATOM 462 CG ARG A 29 89.735 -1.384 18.191 1.00 0.00 C ATOM 463 CD ARG A 29 90.938 -2.209 18.655 1.00 0.00 C ATOM 464 NE ARG A 29 90.464 -2.926 19.871 1.00 0.00 N ATOM 465 CZ ARG A 29 91.234 -3.802 20.456 1.00 0.00 C ATOM 466 NH1 ARG A 29 91.494 -4.937 19.868 1.00 0.00 N ATOM 467 NH2 ARG A 29 91.744 -3.542 21.629 1.00 0.00 N ATOM 0 H ARG A 29 89.726 0.255 15.053 1.00 0.00 H new ATOM 0 HA ARG A 29 88.111 0.350 17.479 1.00 0.00 H new ATOM 0 HB2 ARG A 29 90.681 -0.560 16.431 1.00 0.00 H new ATOM 0 HB3 ARG A 29 90.979 0.359 17.894 1.00 0.00 H new ATOM 0 HG2 ARG A 29 89.173 -1.025 19.053 1.00 0.00 H new ATOM 0 HG3 ARG A 29 89.058 -2.007 17.606 1.00 0.00 H new ATOM 0 HD2 ARG A 29 91.258 -2.909 17.883 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.792 -1.570 18.881 1.00 0.00 H new ATOM 0 HE ARG A 29 89.536 -2.732 20.247 1.00 0.00 H new ATOM 0 HH11 ARG A 29 91.095 -5.139 18.951 1.00 0.00 H new ATOM 0 HH12 ARG A 29 92.096 -5.622 20.325 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.541 -2.654 22.088 1.00 0.00 H new ATOM 0 HH22 ARG A 29 92.346 -4.227 22.087 1.00 0.00 H new ATOM 481 N SER A 30 90.189 2.840 16.951 1.00 0.00 N ATOM 482 CA SER A 30 90.470 4.229 17.420 1.00 0.00 C ATOM 483 C SER A 30 89.186 5.061 17.396 1.00 0.00 C ATOM 484 O SER A 30 89.082 6.079 18.051 1.00 0.00 O ATOM 485 CB SER A 30 91.490 4.783 16.427 1.00 0.00 C ATOM 486 OG SER A 30 92.780 4.776 17.024 1.00 0.00 O ATOM 0 H SER A 30 90.750 2.526 16.159 1.00 0.00 H new ATOM 0 HA SER A 30 90.845 4.254 18.443 1.00 0.00 H new ATOM 0 HB2 SER A 30 91.494 4.181 15.518 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.217 5.797 16.136 1.00 0.00 H new ATOM 0 HG SER A 30 93.437 5.129 16.388 1.00 0.00 H new ATOM 492 N LEU A 31 88.207 4.635 16.645 1.00 0.00 N ATOM 493 CA LEU A 31 86.931 5.399 16.577 1.00 0.00 C ATOM 494 C LEU A 31 85.856 4.710 17.421 1.00 0.00 C ATOM 495 O LEU A 31 84.890 5.321 17.832 1.00 0.00 O ATOM 496 CB LEU A 31 86.541 5.390 15.098 1.00 0.00 C ATOM 497 CG LEU A 31 87.639 6.064 14.274 1.00 0.00 C ATOM 498 CD1 LEU A 31 87.570 5.570 12.828 1.00 0.00 C ATOM 499 CD2 LEU A 31 87.438 7.580 14.303 1.00 0.00 C ATOM 0 H LEU A 31 88.237 3.790 16.075 1.00 0.00 H new ATOM 0 HA LEU A 31 87.036 6.413 16.964 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.393 4.365 14.757 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.595 5.912 14.958 1.00 0.00 H new ATOM 0 HG LEU A 31 88.613 5.816 14.696 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.353 6.051 12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.712 4.489 12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 86.596 5.817 12.405 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.220 8.062 13.716 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.464 7.826 13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 31 87.487 7.934 15.333 1.00 0.00 H new ATOM 511 N GLN A 32 86.013 3.440 17.681 1.00 0.00 N ATOM 512 CA GLN A 32 84.999 2.717 18.494 1.00 0.00 C ATOM 513 C GLN A 32 85.667 2.009 19.677 1.00 0.00 C ATOM 514 O GLN A 32 86.732 1.443 19.541 1.00 0.00 O ATOM 515 CB GLN A 32 84.382 1.695 17.539 1.00 0.00 C ATOM 516 CG GLN A 32 83.174 2.315 16.835 1.00 0.00 C ATOM 517 CD GLN A 32 82.186 2.836 17.881 1.00 0.00 C ATOM 518 OE1 GLN A 32 81.518 2.065 18.540 1.00 0.00 O ATOM 519 NE2 GLN A 32 82.062 4.124 18.061 1.00 0.00 N ATOM 0 H GLN A 32 86.800 2.874 17.365 1.00 0.00 H new ATOM 0 HA GLN A 32 84.252 3.391 18.912 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.121 1.377 16.803 1.00 0.00 H new ATOM 0 HB3 GLN A 32 84.077 0.805 18.090 1.00 0.00 H new ATOM 0 HG2 GLN A 32 83.496 3.129 16.186 1.00 0.00 H new ATOM 0 HG3 GLN A 32 82.690 1.574 16.199 1.00 0.00 H new ATOM 0 HE21 GLN A 32 82.623 4.773 17.508 1.00 0.00 H new ATOM 0 HE22 GLN A 32 81.405 4.481 18.754 1.00 0.00 H new ATOM 528 N PRO A 33 85.009 2.068 20.804 1.00 0.00 N ATOM 529 CA PRO A 33 85.541 1.424 22.030 1.00 0.00 C ATOM 530 C PRO A 33 85.638 -0.091 21.837 1.00 0.00 C ATOM 531 O PRO A 33 86.708 -0.666 21.873 1.00 0.00 O ATOM 532 CB PRO A 33 84.516 1.764 23.114 1.00 0.00 C ATOM 533 CG PRO A 33 83.642 2.835 22.536 1.00 0.00 C ATOM 534 CD PRO A 33 83.727 2.732 21.038 1.00 0.00 C ATOM 0 HA PRO A 33 86.543 1.770 22.283 1.00 0.00 H new ATOM 0 HB2 PRO A 33 83.930 0.886 23.385 1.00 0.00 H new ATOM 0 HB3 PRO A 33 85.009 2.111 24.022 1.00 0.00 H new ATOM 0 HG2 PRO A 33 82.612 2.711 22.871 1.00 0.00 H new ATOM 0 HG3 PRO A 33 83.970 3.819 22.871 1.00 0.00 H new ATOM 0 HD2 PRO A 33 82.898 2.155 20.629 1.00 0.00 H new ATOM 0 HD3 PRO A 33 83.694 3.715 20.567 1.00 0.00 H new ATOM 542 N ASP A 34 84.527 -0.739 21.637 1.00 0.00 N ATOM 543 CA ASP A 34 84.546 -2.217 21.447 1.00 0.00 C ATOM 544 C ASP A 34 84.804 -2.565 19.977 1.00 0.00 C ATOM 545 O ASP A 34 84.309 -1.902 19.087 1.00 0.00 O ATOM 546 CB ASP A 34 83.154 -2.688 21.873 1.00 0.00 C ATOM 547 CG ASP A 34 83.282 -3.675 23.034 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.793 -3.279 24.069 1.00 0.00 O ATOM 549 OD2 ASP A 34 82.867 -4.811 22.869 1.00 0.00 O ATOM 0 H ASP A 34 83.603 -0.309 21.597 1.00 0.00 H new ATOM 0 HA ASP A 34 85.336 -2.695 22.026 1.00 0.00 H new ATOM 0 HB2 ASP A 34 82.546 -1.835 22.173 1.00 0.00 H new ATOM 0 HB3 ASP A 34 82.646 -3.162 21.033 1.00 0.00 H new ATOM 554 N PRO A 35 85.575 -3.600 19.776 1.00 0.00 N ATOM 555 CA PRO A 35 85.906 -4.046 18.400 1.00 0.00 C ATOM 556 C PRO A 35 84.638 -4.490 17.664 1.00 0.00 C ATOM 557 O PRO A 35 84.369 -4.062 16.560 1.00 0.00 O ATOM 558 CB PRO A 35 86.854 -5.232 18.601 1.00 0.00 C ATOM 559 CG PRO A 35 87.260 -5.199 20.044 1.00 0.00 C ATOM 560 CD PRO A 35 86.201 -4.439 20.797 1.00 0.00 C ATOM 0 HA PRO A 35 86.354 -3.254 17.800 1.00 0.00 H new ATOM 0 HB2 PRO A 35 86.359 -6.172 18.357 1.00 0.00 H new ATOM 0 HB3 PRO A 35 87.724 -5.151 17.949 1.00 0.00 H new ATOM 0 HG2 PRO A 35 87.358 -6.211 20.437 1.00 0.00 H new ATOM 0 HG3 PRO A 35 88.231 -4.717 20.158 1.00 0.00 H new ATOM 0 HD2 PRO A 35 85.479 -5.112 21.259 1.00 0.00 H new ATOM 0 HD3 PRO A 35 86.633 -3.838 21.597 1.00 0.00 H new ATOM 568 N SER A 36 83.862 -5.351 18.265 1.00 0.00 N ATOM 569 CA SER A 36 82.616 -5.823 17.594 1.00 0.00 C ATOM 570 C SER A 36 81.464 -4.850 17.863 1.00 0.00 C ATOM 571 O SER A 36 80.401 -5.238 18.303 1.00 0.00 O ATOM 572 CB SER A 36 82.322 -7.188 18.214 1.00 0.00 C ATOM 573 OG SER A 36 82.550 -7.127 19.616 1.00 0.00 O ATOM 0 H SER A 36 84.036 -5.747 19.189 1.00 0.00 H new ATOM 0 HA SER A 36 82.731 -5.884 16.512 1.00 0.00 H new ATOM 0 HB2 SER A 36 81.290 -7.476 18.014 1.00 0.00 H new ATOM 0 HB3 SER A 36 82.959 -7.949 17.763 1.00 0.00 H new ATOM 0 HG SER A 36 82.360 -8.001 20.017 1.00 0.00 H new ATOM 579 N SER A 37 81.667 -3.588 17.599 1.00 0.00 N ATOM 580 CA SER A 37 80.583 -2.591 17.836 1.00 0.00 C ATOM 581 C SER A 37 80.363 -1.749 16.577 1.00 0.00 C ATOM 582 O SER A 37 81.079 -1.873 15.604 1.00 0.00 O ATOM 583 CB SER A 37 81.089 -1.718 18.983 1.00 0.00 C ATOM 584 OG SER A 37 82.152 -0.899 18.516 1.00 0.00 O ATOM 0 H SER A 37 82.537 -3.204 17.229 1.00 0.00 H new ATOM 0 HA SER A 37 79.630 -3.063 18.076 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.279 -1.098 19.368 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.432 -2.343 19.807 1.00 0.00 H new ATOM 0 HG SER A 37 82.980 -1.140 18.982 1.00 0.00 H new ATOM 590 N PHE A 38 79.379 -0.893 16.589 1.00 0.00 N ATOM 591 CA PHE A 38 79.117 -0.045 15.389 1.00 0.00 C ATOM 592 C PHE A 38 79.554 1.399 15.660 1.00 0.00 C ATOM 593 O PHE A 38 79.613 1.839 16.792 1.00 0.00 O ATOM 594 CB PHE A 38 77.605 -0.117 15.172 1.00 0.00 C ATOM 595 CG PHE A 38 76.890 0.150 16.476 1.00 0.00 C ATOM 596 CD1 PHE A 38 76.932 1.428 17.050 1.00 0.00 C ATOM 597 CD2 PHE A 38 76.186 -0.880 17.111 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.269 1.673 18.258 1.00 0.00 C ATOM 599 CE2 PHE A 38 75.524 -0.635 18.319 1.00 0.00 C ATOM 600 CZ PHE A 38 75.566 0.641 18.893 1.00 0.00 C ATOM 0 H PHE A 38 78.746 -0.743 17.375 1.00 0.00 H new ATOM 0 HA PHE A 38 79.669 -0.386 14.513 1.00 0.00 H new ATOM 0 HB2 PHE A 38 77.300 0.614 14.423 1.00 0.00 H new ATOM 0 HB3 PHE A 38 77.329 -1.100 14.789 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.475 2.223 16.561 1.00 0.00 H new ATOM 0 HD2 PHE A 38 76.154 -1.864 16.668 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.299 2.658 18.701 1.00 0.00 H new ATOM 0 HE2 PHE A 38 74.981 -1.430 18.808 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.056 0.830 19.826 1.00 0.00 H new ATOM 610 N ILE A 39 79.861 2.139 14.630 1.00 0.00 N ATOM 611 CA ILE A 39 80.296 3.555 14.827 1.00 0.00 C ATOM 612 C ILE A 39 79.080 4.485 14.804 1.00 0.00 C ATOM 613 O ILE A 39 78.102 4.224 14.131 1.00 0.00 O ATOM 614 CB ILE A 39 81.221 3.868 13.646 1.00 0.00 C ATOM 615 CG1 ILE A 39 82.097 2.653 13.333 1.00 0.00 C ATOM 616 CG2 ILE A 39 82.117 5.055 14.000 1.00 0.00 C ATOM 617 CD1 ILE A 39 83.177 3.048 12.324 1.00 0.00 C ATOM 0 H ILE A 39 79.830 1.826 13.660 1.00 0.00 H new ATOM 0 HA ILE A 39 80.798 3.697 15.784 1.00 0.00 H new ATOM 0 HB ILE A 39 80.614 4.111 12.774 1.00 0.00 H new ATOM 0 HG12 ILE A 39 82.558 2.279 14.247 1.00 0.00 H new ATOM 0 HG13 ILE A 39 81.486 1.845 12.930 1.00 0.00 H new ATOM 0 HG21 ILE A 39 82.775 5.278 13.160 1.00 0.00 H new ATOM 0 HG22 ILE A 39 81.498 5.926 14.217 1.00 0.00 H new ATOM 0 HG23 ILE A 39 82.717 4.809 14.876 1.00 0.00 H new ATOM 0 HD11 ILE A 39 83.801 2.182 12.101 1.00 0.00 H new ATOM 0 HD12 ILE A 39 82.706 3.402 11.407 1.00 0.00 H new ATOM 0 HD13 ILE A 39 83.795 3.842 12.744 1.00 0.00 H new ATOM 629 N SER A 40 79.133 5.569 15.528 1.00 0.00 N ATOM 630 CA SER A 40 77.976 6.511 15.534 1.00 0.00 C ATOM 631 C SER A 40 77.591 6.872 14.098 1.00 0.00 C ATOM 632 O SER A 40 76.465 7.235 13.818 1.00 0.00 O ATOM 633 CB SER A 40 78.473 7.748 16.282 1.00 0.00 C ATOM 634 OG SER A 40 77.509 8.125 17.256 1.00 0.00 O ATOM 0 H SER A 40 79.922 5.843 16.113 1.00 0.00 H new ATOM 0 HA SER A 40 77.093 6.080 16.006 1.00 0.00 H new ATOM 0 HB2 SER A 40 79.429 7.538 16.762 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.641 8.567 15.583 1.00 0.00 H new ATOM 0 HG SER A 40 77.825 8.917 17.739 1.00 0.00 H new ATOM 640 N GLY A 41 78.518 6.770 13.186 1.00 0.00 N ATOM 641 CA GLY A 41 78.209 7.103 11.768 1.00 0.00 C ATOM 642 C GLY A 41 79.183 8.170 11.266 1.00 0.00 C ATOM 643 O GLY A 41 80.109 7.884 10.533 1.00 0.00 O ATOM 0 H GLY A 41 79.477 6.470 13.362 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.284 6.209 11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 41 77.184 7.464 11.684 1.00 0.00 H new ATOM 647 N SER A 42 78.982 9.400 11.653 1.00 0.00 N ATOM 648 CA SER A 42 79.897 10.486 11.196 1.00 0.00 C ATOM 649 C SER A 42 81.290 10.296 11.805 1.00 0.00 C ATOM 650 O SER A 42 82.265 10.845 11.330 1.00 0.00 O ATOM 651 CB SER A 42 79.261 11.778 11.704 1.00 0.00 C ATOM 652 OG SER A 42 80.248 12.800 11.757 1.00 0.00 O ATOM 0 H SER A 42 78.224 9.701 12.266 1.00 0.00 H new ATOM 0 HA SER A 42 80.023 10.492 10.113 1.00 0.00 H new ATOM 0 HB2 SER A 42 78.445 12.078 11.046 1.00 0.00 H new ATOM 0 HB3 SER A 42 78.831 11.620 12.693 1.00 0.00 H new ATOM 0 HG SER A 42 79.842 13.631 12.081 1.00 0.00 H new ATOM 658 N VAL A 43 81.391 9.524 12.851 1.00 0.00 N ATOM 659 CA VAL A 43 82.721 9.301 13.488 1.00 0.00 C ATOM 660 C VAL A 43 83.715 8.749 12.462 1.00 0.00 C ATOM 661 O VAL A 43 84.856 9.161 12.405 1.00 0.00 O ATOM 662 CB VAL A 43 82.462 8.277 14.593 1.00 0.00 C ATOM 663 CG1 VAL A 43 83.789 7.668 15.050 1.00 0.00 C ATOM 664 CG2 VAL A 43 81.788 8.970 15.779 1.00 0.00 C ATOM 0 H VAL A 43 80.611 9.038 13.293 1.00 0.00 H new ATOM 0 HA VAL A 43 83.152 10.222 13.879 1.00 0.00 H new ATOM 0 HB VAL A 43 81.813 7.489 14.211 1.00 0.00 H new ATOM 0 HG11 VAL A 43 83.602 6.938 15.838 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.273 7.176 14.207 1.00 0.00 H new ATOM 0 HG13 VAL A 43 84.439 8.456 15.432 1.00 0.00 H new ATOM 0 HG21 VAL A 43 81.602 8.242 16.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.439 9.758 16.158 1.00 0.00 H new ATOM 0 HG23 VAL A 43 80.842 9.405 15.457 1.00 0.00 H new ATOM 674 N ALA A 44 83.291 7.816 11.654 1.00 0.00 N ATOM 675 CA ALA A 44 84.211 7.236 10.636 1.00 0.00 C ATOM 676 C ALA A 44 84.207 8.091 9.366 1.00 0.00 C ATOM 677 O ALA A 44 85.191 8.175 8.662 1.00 0.00 O ATOM 678 CB ALA A 44 83.653 5.844 10.345 1.00 0.00 C ATOM 0 H ALA A 44 82.347 7.430 11.655 1.00 0.00 H new ATOM 0 HA ALA A 44 85.242 7.198 10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 44 84.278 5.350 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 44 83.647 5.255 11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 44 82.636 5.932 9.963 1.00 0.00 H new ATOM 684 N LYS A 45 83.107 8.727 9.069 1.00 0.00 N ATOM 685 CA LYS A 45 83.049 9.578 7.845 1.00 0.00 C ATOM 686 C LYS A 45 83.989 10.775 7.997 1.00 0.00 C ATOM 687 O LYS A 45 84.238 11.508 7.061 1.00 0.00 O ATOM 688 CB LYS A 45 81.596 10.044 7.752 1.00 0.00 C ATOM 689 CG LYS A 45 80.827 9.124 6.802 1.00 0.00 C ATOM 690 CD LYS A 45 79.913 9.963 5.908 1.00 0.00 C ATOM 691 CE LYS A 45 80.501 10.031 4.497 1.00 0.00 C ATOM 692 NZ LYS A 45 79.319 10.089 3.593 1.00 0.00 N ATOM 0 H LYS A 45 82.248 8.695 9.618 1.00 0.00 H new ATOM 0 HA LYS A 45 83.359 9.039 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.135 10.032 8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.555 11.072 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.524 8.550 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.237 8.406 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 45 78.915 9.525 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.808 10.967 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 45 81.135 10.909 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 45 81.119 9.159 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.633 10.001 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 78.669 9.310 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 78.829 10.997 3.721 1.00 0.00 H new ATOM 706 N ASN A 46 84.509 10.977 9.176 1.00 0.00 N ATOM 707 CA ASN A 46 85.432 12.124 9.405 1.00 0.00 C ATOM 708 C ASN A 46 86.783 11.863 8.733 1.00 0.00 C ATOM 709 O ASN A 46 87.271 12.669 7.965 1.00 0.00 O ATOM 710 CB ASN A 46 85.598 12.192 10.922 1.00 0.00 C ATOM 711 CG ASN A 46 86.561 13.325 11.282 1.00 0.00 C ATOM 712 OD1 ASN A 46 86.185 14.481 11.279 1.00 0.00 O ATOM 713 ND2 ASN A 46 87.796 13.042 11.594 1.00 0.00 N ATOM 0 H ASN A 46 84.333 10.394 9.994 1.00 0.00 H new ATOM 0 HA ASN A 46 85.046 13.055 8.989 1.00 0.00 H new ATOM 0 HB2 ASN A 46 84.631 12.358 11.397 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.979 11.243 11.299 1.00 0.00 H new ATOM 0 HD21 ASN A 46 88.445 13.791 11.835 1.00 0.00 H new ATOM 0 HD22 ASN A 46 88.112 12.072 11.597 1.00 0.00 H new ATOM 720 N PHE A 47 87.395 10.748 9.025 1.00 0.00 N ATOM 721 CA PHE A 47 88.717 10.441 8.414 1.00 0.00 C ATOM 722 C PHE A 47 88.537 9.712 7.074 1.00 0.00 C ATOM 723 O PHE A 47 89.405 9.740 6.223 1.00 0.00 O ATOM 724 CB PHE A 47 89.432 9.567 9.458 1.00 0.00 C ATOM 725 CG PHE A 47 89.182 8.100 9.194 1.00 0.00 C ATOM 726 CD1 PHE A 47 90.029 7.391 8.335 1.00 0.00 C ATOM 727 CD2 PHE A 47 88.108 7.453 9.812 1.00 0.00 C ATOM 728 CE1 PHE A 47 89.801 6.033 8.093 1.00 0.00 C ATOM 729 CE2 PHE A 47 87.879 6.094 9.571 1.00 0.00 C ATOM 730 CZ PHE A 47 88.726 5.384 8.711 1.00 0.00 C ATOM 0 H PHE A 47 87.035 10.036 9.661 1.00 0.00 H new ATOM 0 HA PHE A 47 89.295 11.336 8.182 1.00 0.00 H new ATOM 0 HB2 PHE A 47 90.503 9.768 9.434 1.00 0.00 H new ATOM 0 HB3 PHE A 47 89.081 9.826 10.457 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.859 7.893 7.859 1.00 0.00 H new ATOM 0 HD2 PHE A 47 87.456 8.002 10.475 1.00 0.00 H new ATOM 0 HE1 PHE A 47 90.454 5.485 7.430 1.00 0.00 H new ATOM 0 HE2 PHE A 47 87.050 5.593 10.048 1.00 0.00 H new ATOM 0 HZ PHE A 47 88.550 4.335 8.525 1.00 0.00 H new ATOM 740 N PHE A 48 87.420 9.066 6.878 1.00 0.00 N ATOM 741 CA PHE A 48 87.191 8.346 5.592 1.00 0.00 C ATOM 742 C PHE A 48 87.610 9.229 4.414 1.00 0.00 C ATOM 743 O PHE A 48 88.417 8.843 3.592 1.00 0.00 O ATOM 744 CB PHE A 48 85.687 8.075 5.548 1.00 0.00 C ATOM 745 CG PHE A 48 85.407 6.698 6.097 1.00 0.00 C ATOM 746 CD1 PHE A 48 86.230 6.166 7.095 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.329 5.952 5.606 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.975 4.888 7.604 1.00 0.00 C ATOM 749 CE2 PHE A 48 84.073 4.673 6.116 1.00 0.00 C ATOM 750 CZ PHE A 48 84.897 4.141 7.116 1.00 0.00 C ATOM 0 H PHE A 48 86.657 9.005 7.552 1.00 0.00 H new ATOM 0 HA PHE A 48 87.771 7.426 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 48 85.154 8.826 6.132 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.323 8.150 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 48 87.062 6.742 7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.695 6.363 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 48 86.611 4.478 8.374 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.241 4.097 5.739 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.700 3.155 7.510 1.00 0.00 H new ATOM 760 N THR A 49 87.067 10.411 4.327 1.00 0.00 N ATOM 761 CA THR A 49 87.432 11.321 3.206 1.00 0.00 C ATOM 762 C THR A 49 88.699 12.102 3.556 1.00 0.00 C ATOM 763 O THR A 49 88.693 13.315 3.619 1.00 0.00 O ATOM 764 CB THR A 49 86.240 12.270 3.061 1.00 0.00 C ATOM 765 OG1 THR A 49 86.427 13.091 1.918 1.00 0.00 O ATOM 766 CG2 THR A 49 86.130 13.146 4.309 1.00 0.00 C ATOM 0 H THR A 49 86.385 10.787 4.985 1.00 0.00 H new ATOM 0 HA THR A 49 87.635 10.780 2.282 1.00 0.00 H new ATOM 0 HB THR A 49 85.324 11.690 2.945 1.00 0.00 H new ATOM 0 HG1 THR A 49 87.229 13.642 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 49 85.281 13.822 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 49 85.986 12.514 5.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 87.044 13.728 4.427 1.00 0.00 H new ATOM 774 N LYS A 50 89.786 11.417 3.785 1.00 0.00 N ATOM 775 CA LYS A 50 91.050 12.123 4.133 1.00 0.00 C ATOM 776 C LYS A 50 91.234 13.345 3.229 1.00 0.00 C ATOM 777 O LYS A 50 91.143 14.474 3.670 1.00 0.00 O ATOM 778 CB LYS A 50 92.158 11.098 3.891 1.00 0.00 C ATOM 779 CG LYS A 50 93.406 11.502 4.678 1.00 0.00 C ATOM 780 CD LYS A 50 94.465 10.403 4.556 1.00 0.00 C ATOM 781 CE LYS A 50 94.953 10.321 3.109 1.00 0.00 C ATOM 782 NZ LYS A 50 96.243 11.064 3.097 1.00 0.00 N ATOM 0 H LYS A 50 89.853 10.400 3.746 1.00 0.00 H new ATOM 0 HA LYS A 50 91.054 12.486 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 50 91.825 10.107 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 50 92.389 11.040 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 50 93.799 12.445 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 50 93.152 11.662 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 50 95.302 10.615 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 50 94.047 9.445 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 50 95.090 9.286 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 50 94.233 10.768 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.641 11.053 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.080 12.048 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 96.910 10.611 3.754 1.00 0.00 H new ATOM 796 N SER A 51 91.489 13.130 1.967 1.00 0.00 N ATOM 797 CA SER A 51 91.673 14.281 1.042 1.00 0.00 C ATOM 798 C SER A 51 91.063 13.948 -0.320 1.00 0.00 C ATOM 799 O SER A 51 91.732 13.996 -1.332 1.00 0.00 O ATOM 800 CB SER A 51 93.186 14.459 0.926 1.00 0.00 C ATOM 801 OG SER A 51 93.574 15.645 1.607 1.00 0.00 O ATOM 0 H SER A 51 91.577 12.209 1.539 1.00 0.00 H new ATOM 0 HA SER A 51 91.188 15.189 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 51 93.699 13.597 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 51 93.477 14.516 -0.123 1.00 0.00 H new ATOM 0 HG SER A 51 94.545 15.761 1.536 1.00 0.00 H new ATOM 807 N LYS A 52 89.800 13.598 -0.342 1.00 0.00 N ATOM 808 CA LYS A 52 89.130 13.242 -1.629 1.00 0.00 C ATOM 809 C LYS A 52 90.102 12.487 -2.537 1.00 0.00 C ATOM 810 O LYS A 52 90.332 12.870 -3.666 1.00 0.00 O ATOM 811 CB LYS A 52 88.708 14.575 -2.257 1.00 0.00 C ATOM 812 CG LYS A 52 89.941 15.414 -2.606 1.00 0.00 C ATOM 813 CD LYS A 52 89.579 16.417 -3.704 1.00 0.00 C ATOM 814 CE LYS A 52 90.012 17.823 -3.280 1.00 0.00 C ATOM 815 NZ LYS A 52 88.841 18.693 -3.581 1.00 0.00 N ATOM 0 H LYS A 52 89.202 13.544 0.482 1.00 0.00 H new ATOM 0 HA LYS A 52 88.270 12.589 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 52 88.119 14.391 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 88.070 15.125 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 52 90.299 15.940 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 52 90.752 14.767 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 90.069 16.141 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 52 88.505 16.397 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 52 90.266 17.855 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 52 90.896 18.147 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 89.061 19.675 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 88.627 18.647 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 88.016 18.365 -3.039 1.00 0.00 H new ATOM 829 N LEU A 53 90.675 11.421 -2.031 1.00 0.00 N ATOM 830 CA LEU A 53 91.653 10.614 -2.827 1.00 0.00 C ATOM 831 C LEU A 53 91.341 10.689 -4.325 1.00 0.00 C ATOM 832 O LEU A 53 90.579 9.902 -4.851 1.00 0.00 O ATOM 833 CB LEU A 53 91.482 9.181 -2.321 1.00 0.00 C ATOM 834 CG LEU A 53 92.117 9.047 -0.937 1.00 0.00 C ATOM 835 CD1 LEU A 53 91.060 8.590 0.069 1.00 0.00 C ATOM 836 CD2 LEU A 53 93.246 8.016 -0.991 1.00 0.00 C ATOM 0 H LEU A 53 90.504 11.072 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 53 92.672 10.981 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 53 90.423 8.925 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 53 91.948 8.481 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 53 92.519 10.012 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 53 91.514 8.495 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 53 90.255 9.324 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 53 90.657 7.625 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 53 93.699 7.920 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 53 92.843 7.052 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 53 94.001 8.341 -1.707 1.00 0.00 H new ATOM 848 N SER A 54 91.922 11.635 -5.012 1.00 0.00 N ATOM 849 CA SER A 54 91.656 11.768 -6.473 1.00 0.00 C ATOM 850 C SER A 54 90.151 11.874 -6.724 1.00 0.00 C ATOM 851 O SER A 54 89.592 12.951 -6.765 1.00 0.00 O ATOM 852 CB SER A 54 92.218 10.493 -7.097 1.00 0.00 C ATOM 853 OG SER A 54 93.638 10.539 -7.062 1.00 0.00 O ATOM 0 H SER A 54 92.569 12.322 -4.625 1.00 0.00 H new ATOM 0 HA SER A 54 92.113 12.661 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 54 91.858 9.619 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 54 91.871 10.394 -8.126 1.00 0.00 H new ATOM 0 HG SER A 54 94.002 9.721 -7.460 1.00 0.00 H new ATOM 859 N ILE A 55 89.489 10.762 -6.890 1.00 0.00 N ATOM 860 CA ILE A 55 88.020 10.800 -7.133 1.00 0.00 C ATOM 861 C ILE A 55 87.267 10.644 -5.809 1.00 0.00 C ATOM 862 O ILE A 55 87.204 9.567 -5.252 1.00 0.00 O ATOM 863 CB ILE A 55 87.741 9.613 -8.056 1.00 0.00 C ATOM 864 CG1 ILE A 55 86.265 9.616 -8.460 1.00 0.00 C ATOM 865 CG2 ILE A 55 88.065 8.309 -7.326 1.00 0.00 C ATOM 866 CD1 ILE A 55 86.146 9.934 -9.951 1.00 0.00 C ATOM 0 H ILE A 55 89.902 9.830 -6.868 1.00 0.00 H new ATOM 0 HA ILE A 55 87.695 11.742 -7.575 1.00 0.00 H new ATOM 0 HB ILE A 55 88.363 9.694 -8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 55 85.817 8.646 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 55 85.718 10.355 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 55 87.866 7.464 -7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 55 89.116 8.305 -7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 55 87.444 8.228 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 55 85.095 9.936 -10.240 1.00 0.00 H new ATOM 0 HD12 ILE A 55 86.579 10.914 -10.150 1.00 0.00 H new ATOM 0 HD13 ILE A 55 86.679 9.178 -10.528 1.00 0.00 H new ATOM 878 N PRO A 56 86.725 11.737 -5.348 1.00 0.00 N ATOM 879 CA PRO A 56 85.969 11.733 -4.073 1.00 0.00 C ATOM 880 C PRO A 56 84.709 10.875 -4.202 1.00 0.00 C ATOM 881 O PRO A 56 84.720 9.693 -3.920 1.00 0.00 O ATOM 882 CB PRO A 56 85.606 13.201 -3.850 1.00 0.00 C ATOM 883 CG PRO A 56 85.744 13.853 -5.190 1.00 0.00 C ATOM 884 CD PRO A 56 86.766 13.065 -5.965 1.00 0.00 C ATOM 0 HA PRO A 56 86.541 11.316 -3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 56 84.590 13.301 -3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 56 86.269 13.663 -3.118 1.00 0.00 H new ATOM 0 HG2 PRO A 56 84.788 13.863 -5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 56 86.059 14.891 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 56 86.517 13.021 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 56 87.757 13.511 -5.888 1.00 0.00 H new ATOM 892 N GLU A 57 83.622 11.459 -4.623 1.00 0.00 N ATOM 893 CA GLU A 57 82.363 10.673 -4.764 1.00 0.00 C ATOM 894 C GLU A 57 82.150 9.800 -3.525 1.00 0.00 C ATOM 895 O GLU A 57 81.486 8.786 -3.577 1.00 0.00 O ATOM 896 CB GLU A 57 82.571 9.798 -6.000 1.00 0.00 C ATOM 897 CG GLU A 57 81.516 10.142 -7.052 1.00 0.00 C ATOM 898 CD GLU A 57 81.913 11.432 -7.770 1.00 0.00 C ATOM 899 OE1 GLU A 57 82.670 12.197 -7.195 1.00 0.00 O ATOM 900 OE2 GLU A 57 81.455 11.634 -8.882 1.00 0.00 O ATOM 0 H GLU A 57 83.550 12.445 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 57 81.487 11.314 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.570 9.956 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.500 8.745 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 57 81.424 9.327 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 57 80.541 10.262 -6.579 1.00 0.00 H new ATOM 907 N LEU A 58 82.710 10.182 -2.411 1.00 0.00 N ATOM 908 CA LEU A 58 82.539 9.371 -1.173 1.00 0.00 C ATOM 909 C LEU A 58 81.060 9.030 -0.950 1.00 0.00 C ATOM 910 O LEU A 58 80.732 8.109 -0.233 1.00 0.00 O ATOM 911 CB LEU A 58 83.066 10.262 -0.048 1.00 0.00 C ATOM 912 CG LEU A 58 84.579 10.073 0.097 1.00 0.00 C ATOM 913 CD1 LEU A 58 84.865 8.739 0.790 1.00 0.00 C ATOM 914 CD2 LEU A 58 85.236 10.075 -1.286 1.00 0.00 C ATOM 0 H LEU A 58 83.279 11.022 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 58 83.069 8.420 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 58 82.840 11.306 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 58 82.568 10.014 0.889 1.00 0.00 H new ATOM 0 HG LEU A 58 84.986 10.890 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 58 85.942 8.606 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 58 84.403 8.736 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 58 84.454 7.924 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 58 86.312 9.940 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 58 84.827 9.261 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 58 85.037 11.025 -1.782 1.00 0.00 H new ATOM 926 N SER A 59 80.164 9.765 -1.554 1.00 0.00 N ATOM 927 CA SER A 59 78.711 9.474 -1.365 1.00 0.00 C ATOM 928 C SER A 59 78.421 7.990 -1.623 1.00 0.00 C ATOM 929 O SER A 59 77.672 7.365 -0.900 1.00 0.00 O ATOM 930 CB SER A 59 77.994 10.349 -2.393 1.00 0.00 C ATOM 931 OG SER A 59 76.830 9.676 -2.856 1.00 0.00 O ATOM 0 H SER A 59 80.374 10.552 -2.168 1.00 0.00 H new ATOM 0 HA SER A 59 78.380 9.685 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 59 77.721 11.305 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 59 78.659 10.566 -3.229 1.00 0.00 H new ATOM 0 HG SER A 59 76.368 10.236 -3.514 1.00 0.00 H new ATOM 937 N TYR A 60 79.004 7.419 -2.644 1.00 0.00 N ATOM 938 CA TYR A 60 78.748 5.977 -2.933 1.00 0.00 C ATOM 939 C TYR A 60 79.545 5.090 -1.967 1.00 0.00 C ATOM 940 O TYR A 60 79.163 3.974 -1.677 1.00 0.00 O ATOM 941 CB TYR A 60 79.191 5.773 -4.392 1.00 0.00 C ATOM 942 CG TYR A 60 80.652 5.385 -4.463 1.00 0.00 C ATOM 943 CD1 TYR A 60 81.042 4.075 -4.158 1.00 0.00 C ATOM 944 CD2 TYR A 60 81.612 6.332 -4.838 1.00 0.00 C ATOM 945 CE1 TYR A 60 82.392 3.713 -4.227 1.00 0.00 C ATOM 946 CE2 TYR A 60 82.963 5.970 -4.907 1.00 0.00 C ATOM 947 CZ TYR A 60 83.353 4.661 -4.601 1.00 0.00 C ATOM 948 OH TYR A 60 84.685 4.305 -4.670 1.00 0.00 O ATOM 0 H TYR A 60 79.643 7.886 -3.287 1.00 0.00 H new ATOM 0 HA TYR A 60 77.701 5.704 -2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 60 78.582 4.998 -4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 60 79.026 6.690 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 60 80.301 3.344 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 60 81.311 7.342 -5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 60 82.693 2.703 -3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 60 83.704 6.701 -5.196 1.00 0.00 H new ATOM 0 HH TYR A 60 85.217 5.080 -4.946 1.00 0.00 H new ATOM 958 N ILE A 61 80.645 5.580 -1.461 1.00 0.00 N ATOM 959 CA ILE A 61 81.453 4.764 -0.509 1.00 0.00 C ATOM 960 C ILE A 61 80.682 4.586 0.799 1.00 0.00 C ATOM 961 O ILE A 61 80.718 3.544 1.422 1.00 0.00 O ATOM 962 CB ILE A 61 82.731 5.568 -0.274 1.00 0.00 C ATOM 963 CG1 ILE A 61 83.613 5.500 -1.523 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.491 4.979 0.916 1.00 0.00 C ATOM 965 CD1 ILE A 61 84.031 4.051 -1.774 1.00 0.00 C ATOM 0 H ILE A 61 81.018 6.507 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 61 81.671 3.768 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 61 82.474 6.606 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.071 5.888 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 61 84.495 6.127 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.403 5.552 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 61 82.864 5.024 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 61 83.748 3.941 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 61 84.659 4.002 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 61 84.589 3.679 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 61 83.143 3.437 -1.923 1.00 0.00 H new ATOM 977 N TRP A 62 79.977 5.601 1.214 1.00 0.00 N ATOM 978 CA TRP A 62 79.193 5.504 2.474 1.00 0.00 C ATOM 979 C TRP A 62 77.830 4.875 2.182 1.00 0.00 C ATOM 980 O TRP A 62 77.269 4.175 3.003 1.00 0.00 O ATOM 981 CB TRP A 62 79.041 6.951 2.947 1.00 0.00 C ATOM 982 CG TRP A 62 78.041 7.019 4.054 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.733 7.322 3.898 1.00 0.00 C ATOM 984 CD2 TRP A 62 78.245 6.792 5.478 1.00 0.00 C ATOM 985 NE1 TRP A 62 76.117 7.291 5.137 1.00 0.00 N ATOM 986 CE2 TRP A 62 77.007 6.970 6.143 1.00 0.00 C ATOM 987 CE3 TRP A 62 79.370 6.451 6.251 1.00 0.00 C ATOM 988 CZ2 TRP A 62 76.892 6.816 7.524 1.00 0.00 C ATOM 989 CZ3 TRP A 62 79.257 6.297 7.642 1.00 0.00 C ATOM 990 CH2 TRP A 62 78.020 6.478 8.277 1.00 0.00 C ATOM 0 H TRP A 62 79.911 6.497 0.732 1.00 0.00 H new ATOM 0 HA TRP A 62 79.673 4.882 3.230 1.00 0.00 H new ATOM 0 HB2 TRP A 62 80.002 7.334 3.289 1.00 0.00 H new ATOM 0 HB3 TRP A 62 78.723 7.583 2.118 1.00 0.00 H new ATOM 0 HD1 TRP A 62 76.248 7.551 2.960 1.00 0.00 H new ATOM 0 HE1 TRP A 62 75.127 7.482 5.289 1.00 0.00 H new ATOM 0 HE3 TRP A 62 80.327 6.307 5.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 75.937 6.957 8.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 80.128 6.038 8.226 1.00 0.00 H new ATOM 0 HH2 TRP A 62 77.939 6.356 9.347 1.00 0.00 H new ATOM 1001 N GLU A 63 77.300 5.105 1.011 1.00 0.00 N ATOM 1002 CA GLU A 63 75.982 4.506 0.661 1.00 0.00 C ATOM 1003 C GLU A 63 76.073 2.983 0.766 1.00 0.00 C ATOM 1004 O GLU A 63 75.124 2.313 1.118 1.00 0.00 O ATOM 1005 CB GLU A 63 75.723 4.928 -0.786 1.00 0.00 C ATOM 1006 CG GLU A 63 74.314 5.512 -0.903 1.00 0.00 C ATOM 1007 CD GLU A 63 74.192 6.288 -2.215 1.00 0.00 C ATOM 1008 OE1 GLU A 63 75.150 6.291 -2.971 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.143 6.868 -2.442 1.00 0.00 O ATOM 0 H GLU A 63 77.723 5.681 0.283 1.00 0.00 H new ATOM 0 HA GLU A 63 75.182 4.834 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 76.461 5.667 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 63 75.829 4.071 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 63 73.574 4.713 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 63 74.110 6.170 -0.058 1.00 0.00 H new ATOM 1016 N LEU A 64 77.220 2.436 0.465 1.00 0.00 N ATOM 1017 CA LEU A 64 77.389 0.958 0.549 1.00 0.00 C ATOM 1018 C LEU A 64 77.868 0.569 1.950 1.00 0.00 C ATOM 1019 O LEU A 64 77.666 -0.541 2.400 1.00 0.00 O ATOM 1020 CB LEU A 64 78.453 0.620 -0.495 1.00 0.00 C ATOM 1021 CG LEU A 64 78.006 1.130 -1.865 1.00 0.00 C ATOM 1022 CD1 LEU A 64 79.212 1.203 -2.803 1.00 0.00 C ATOM 1023 CD2 LEU A 64 76.965 0.173 -2.449 1.00 0.00 C ATOM 0 H LEU A 64 78.048 2.950 0.164 1.00 0.00 H new ATOM 0 HA LEU A 64 76.458 0.421 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.405 1.074 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 64 78.612 -0.458 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 64 77.570 2.123 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 64 78.892 1.567 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 64 79.955 1.884 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 64 79.649 0.211 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 64 76.645 0.535 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 64 77.403 -0.820 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 64 76.104 0.120 -1.782 1.00 0.00 H new ATOM 1035 N SER A 65 78.502 1.477 2.644 1.00 0.00 N ATOM 1036 CA SER A 65 78.990 1.157 4.016 1.00 0.00 C ATOM 1037 C SER A 65 77.804 0.939 4.958 1.00 0.00 C ATOM 1038 O SER A 65 77.887 0.194 5.915 1.00 0.00 O ATOM 1039 CB SER A 65 79.797 2.382 4.444 1.00 0.00 C ATOM 1040 OG SER A 65 80.844 1.974 5.314 1.00 0.00 O ATOM 0 H SER A 65 78.702 2.423 2.321 1.00 0.00 H new ATOM 0 HA SER A 65 79.588 0.246 4.042 1.00 0.00 H new ATOM 0 HB2 SER A 65 80.210 2.883 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 65 79.150 3.101 4.947 1.00 0.00 H new ATOM 0 HG SER A 65 81.508 2.691 5.386 1.00 0.00 H new ATOM 1046 N ASP A 66 76.701 1.581 4.693 1.00 0.00 N ATOM 1047 CA ASP A 66 75.507 1.409 5.570 1.00 0.00 C ATOM 1048 C ASP A 66 74.549 0.387 4.954 1.00 0.00 C ATOM 1049 O ASP A 66 74.327 0.373 3.759 1.00 0.00 O ATOM 1050 CB ASP A 66 74.855 2.790 5.628 1.00 0.00 C ATOM 1051 CG ASP A 66 75.148 3.438 6.982 1.00 0.00 C ATOM 1052 OD1 ASP A 66 74.438 3.137 7.927 1.00 0.00 O ATOM 1053 OD2 ASP A 66 76.078 4.225 7.051 1.00 0.00 O ATOM 0 H ASP A 66 76.573 2.218 3.907 1.00 0.00 H new ATOM 0 HA ASP A 66 75.770 1.043 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.237 3.418 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 66 73.779 2.702 5.481 1.00 0.00 H new ATOM 1058 N ALA A 67 73.982 -0.470 5.756 1.00 0.00 N ATOM 1059 CA ALA A 67 73.043 -1.488 5.212 1.00 0.00 C ATOM 1060 C ALA A 67 71.617 -1.213 5.697 1.00 0.00 C ATOM 1061 O ALA A 67 70.750 -2.061 5.617 1.00 0.00 O ATOM 1062 CB ALA A 67 73.550 -2.824 5.756 1.00 0.00 C ATOM 0 H ALA A 67 74.129 -0.509 6.765 1.00 0.00 H new ATOM 0 HA ALA A 67 73.010 -1.478 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 67 72.908 -3.629 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.570 -2.993 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 67 73.533 -2.803 6.846 1.00 0.00 H new ATOM 1068 N ASP A 68 71.363 -0.034 6.195 1.00 0.00 N ATOM 1069 CA ASP A 68 69.991 0.292 6.677 1.00 0.00 C ATOM 1070 C ASP A 68 69.920 1.780 7.001 1.00 0.00 C ATOM 1071 O ASP A 68 69.129 2.217 7.812 1.00 0.00 O ATOM 1072 CB ASP A 68 69.798 -0.547 7.942 1.00 0.00 C ATOM 1073 CG ASP A 68 71.031 -0.413 8.837 1.00 0.00 C ATOM 1074 OD1 ASP A 68 71.784 0.526 8.641 1.00 0.00 O ATOM 1075 OD2 ASP A 68 71.203 -1.254 9.705 1.00 0.00 O ATOM 0 H ASP A 68 72.046 0.718 6.289 1.00 0.00 H new ATOM 0 HA ASP A 68 69.219 0.076 5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 68 68.909 -0.216 8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 68 69.640 -1.592 7.677 1.00 0.00 H new ATOM 1080 N CYS A 69 70.761 2.549 6.369 1.00 0.00 N ATOM 1081 CA CYS A 69 70.793 4.009 6.614 1.00 0.00 C ATOM 1082 C CYS A 69 70.552 4.304 8.093 1.00 0.00 C ATOM 1083 O CYS A 69 69.982 5.314 8.456 1.00 0.00 O ATOM 1084 CB CYS A 69 69.678 4.592 5.747 1.00 0.00 C ATOM 1085 SG CYS A 69 69.663 6.394 5.912 1.00 0.00 S ATOM 0 H CYS A 69 71.438 2.217 5.682 1.00 0.00 H new ATOM 0 HA CYS A 69 71.760 4.446 6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 69 69.830 4.313 4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 69 68.715 4.181 6.050 1.00 0.00 H new ATOM 0 HG CYS A 69 69.717 6.715 7.171 1.00 0.00 H new ATOM 1091 N ASP A 70 70.982 3.423 8.947 1.00 0.00 N ATOM 1092 CA ASP A 70 70.783 3.637 10.408 1.00 0.00 C ATOM 1093 C ASP A 70 71.754 4.703 10.922 1.00 0.00 C ATOM 1094 O ASP A 70 71.714 5.091 12.072 1.00 0.00 O ATOM 1095 CB ASP A 70 71.086 2.281 11.049 1.00 0.00 C ATOM 1096 CG ASP A 70 72.569 1.952 10.871 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.157 2.449 9.926 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.092 1.208 11.685 1.00 0.00 O ATOM 0 H ASP A 70 71.465 2.560 8.698 1.00 0.00 H new ATOM 0 HA ASP A 70 69.777 3.984 10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.832 2.303 12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.473 1.505 10.591 1.00 0.00 H new ATOM 1103 N GLY A 71 72.628 5.178 10.076 1.00 0.00 N ATOM 1104 CA GLY A 71 73.602 6.216 10.518 1.00 0.00 C ATOM 1105 C GLY A 71 74.842 5.534 11.096 1.00 0.00 C ATOM 1106 O GLY A 71 75.961 5.909 10.810 1.00 0.00 O ATOM 0 H GLY A 71 72.709 4.893 9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.881 6.851 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.146 6.863 11.268 1.00 0.00 H new ATOM 1110 N ALA A 72 74.651 4.528 11.906 1.00 0.00 N ATOM 1111 CA ALA A 72 75.810 3.815 12.501 1.00 0.00 C ATOM 1112 C ALA A 72 76.182 2.614 11.632 1.00 0.00 C ATOM 1113 O ALA A 72 75.393 2.137 10.840 1.00 0.00 O ATOM 1114 CB ALA A 72 75.328 3.353 13.876 1.00 0.00 C ATOM 0 H ALA A 72 73.736 4.170 12.181 1.00 0.00 H new ATOM 0 HA ALA A 72 76.695 4.447 12.573 1.00 0.00 H new ATOM 0 HB1 ALA A 72 76.131 2.816 14.381 1.00 0.00 H new ATOM 0 HB2 ALA A 72 75.041 4.220 14.471 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.468 2.693 13.758 1.00 0.00 H new ATOM 1120 N LEU A 73 77.377 2.123 11.773 1.00 0.00 N ATOM 1121 CA LEU A 73 77.803 0.952 10.955 1.00 0.00 C ATOM 1122 C LEU A 73 78.587 -0.041 11.815 1.00 0.00 C ATOM 1123 O LEU A 73 79.672 0.247 12.281 1.00 0.00 O ATOM 1124 CB LEU A 73 78.697 1.537 9.861 1.00 0.00 C ATOM 1125 CG LEU A 73 77.902 2.562 9.051 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.093 3.954 9.659 1.00 0.00 C ATOM 1127 CD2 LEU A 73 78.401 2.567 7.604 1.00 0.00 C ATOM 0 H LEU A 73 78.081 2.480 12.419 1.00 0.00 H new ATOM 0 HA LEU A 73 76.954 0.409 10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.573 2.009 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.059 0.743 9.208 1.00 0.00 H new ATOM 0 HG LEU A 73 76.845 2.298 9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.526 4.684 9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 73 77.739 3.953 10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.150 4.218 9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 73 77.835 3.297 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.459 2.830 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.266 1.577 7.169 1.00 0.00 H new ATOM 1139 N THR A 74 78.048 -1.210 12.024 1.00 0.00 N ATOM 1140 CA THR A 74 78.765 -2.222 12.851 1.00 0.00 C ATOM 1141 C THR A 74 80.216 -2.341 12.377 1.00 0.00 C ATOM 1142 O THR A 74 80.556 -1.916 11.292 1.00 0.00 O ATOM 1143 CB THR A 74 78.013 -3.535 12.614 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.253 -3.980 11.286 1.00 0.00 O ATOM 1145 CG2 THR A 74 76.514 -3.319 12.818 1.00 0.00 C ATOM 0 H THR A 74 77.144 -1.508 11.659 1.00 0.00 H new ATOM 0 HA THR A 74 78.790 -1.956 13.908 1.00 0.00 H new ATOM 0 HB THR A 74 78.365 -4.286 13.322 1.00 0.00 H new ATOM 0 HG1 THR A 74 77.775 -4.821 11.131 1.00 0.00 H new ATOM 0 HG21 THR A 74 75.985 -4.257 12.648 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.331 -2.979 13.837 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.156 -2.567 12.115 1.00 0.00 H new ATOM 1153 N LEU A 75 81.077 -2.913 13.175 1.00 0.00 N ATOM 1154 CA LEU A 75 82.498 -3.047 12.746 1.00 0.00 C ATOM 1155 C LEU A 75 82.577 -3.793 11.404 1.00 0.00 C ATOM 1156 O LEU A 75 83.335 -3.409 10.536 1.00 0.00 O ATOM 1157 CB LEU A 75 83.198 -3.827 13.867 1.00 0.00 C ATOM 1158 CG LEU A 75 84.613 -4.229 13.430 1.00 0.00 C ATOM 1159 CD1 LEU A 75 84.542 -5.447 12.507 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.279 -3.066 12.687 1.00 0.00 C ATOM 0 H LEU A 75 80.860 -3.290 14.098 1.00 0.00 H new ATOM 0 HA LEU A 75 82.975 -2.080 12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 75 83.248 -3.216 14.768 1.00 0.00 H new ATOM 0 HB3 LEU A 75 82.620 -4.717 14.116 1.00 0.00 H new ATOM 0 HG LEU A 75 85.201 -4.476 14.314 1.00 0.00 H new ATOM 0 HD11 LEU A 75 85.549 -5.729 12.199 1.00 0.00 H new ATOM 0 HD12 LEU A 75 84.078 -6.279 13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 75 83.948 -5.202 11.626 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.283 -3.358 12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 75 84.689 -2.812 11.806 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.339 -2.200 13.346 1.00 0.00 H new ATOM 1172 N PRO A 76 81.784 -4.830 11.266 1.00 0.00 N ATOM 1173 CA PRO A 76 81.779 -5.603 9.999 1.00 0.00 C ATOM 1174 C PRO A 76 81.464 -4.675 8.822 1.00 0.00 C ATOM 1175 O PRO A 76 81.928 -4.876 7.717 1.00 0.00 O ATOM 1176 CB PRO A 76 80.661 -6.629 10.188 1.00 0.00 C ATOM 1177 CG PRO A 76 80.417 -6.692 11.662 1.00 0.00 C ATOM 1178 CD PRO A 76 80.831 -5.367 12.242 1.00 0.00 C ATOM 0 HA PRO A 76 82.739 -6.072 9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 76 79.759 -6.329 9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.953 -7.604 9.797 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.365 -6.890 11.869 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.989 -7.504 12.112 1.00 0.00 H new ATOM 0 HD2 PRO A 76 79.976 -4.704 12.370 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.291 -5.488 13.223 1.00 0.00 H new ATOM 1186 N GLU A 77 80.677 -3.657 9.054 1.00 0.00 N ATOM 1187 CA GLU A 77 80.333 -2.715 7.950 1.00 0.00 C ATOM 1188 C GLU A 77 81.546 -1.852 7.598 1.00 0.00 C ATOM 1189 O GLU A 77 81.707 -1.413 6.476 1.00 0.00 O ATOM 1190 CB GLU A 77 79.202 -1.850 8.509 1.00 0.00 C ATOM 1191 CG GLU A 77 77.855 -2.503 8.190 1.00 0.00 C ATOM 1192 CD GLU A 77 76.766 -1.431 8.151 1.00 0.00 C ATOM 1193 OE1 GLU A 77 77.112 -0.262 8.080 1.00 0.00 O ATOM 1194 OE2 GLU A 77 75.602 -1.795 8.193 1.00 0.00 O ATOM 0 H GLU A 77 80.259 -3.438 9.958 1.00 0.00 H new ATOM 0 HA GLU A 77 80.037 -3.234 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 77 79.316 -1.735 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 77 79.246 -0.851 8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 77 77.907 -3.019 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 77 77.615 -3.253 8.943 1.00 0.00 H new ATOM 1201 N PHE A 78 82.403 -1.608 8.550 1.00 0.00 N ATOM 1202 CA PHE A 78 83.610 -0.776 8.279 1.00 0.00 C ATOM 1203 C PHE A 78 84.663 -1.600 7.533 1.00 0.00 C ATOM 1204 O PHE A 78 85.320 -1.118 6.632 1.00 0.00 O ATOM 1205 CB PHE A 78 84.122 -0.375 9.663 1.00 0.00 C ATOM 1206 CG PHE A 78 85.476 0.284 9.538 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.602 -0.484 9.214 1.00 0.00 C ATOM 1208 CD2 PHE A 78 85.606 1.661 9.750 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.857 0.126 9.102 1.00 0.00 C ATOM 1210 CE2 PHE A 78 86.861 2.272 9.636 1.00 0.00 C ATOM 1211 CZ PHE A 78 87.986 1.503 9.311 1.00 0.00 C ATOM 0 H PHE A 78 82.320 -1.950 9.507 1.00 0.00 H new ATOM 0 HA PHE A 78 83.389 0.091 7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.417 0.308 10.137 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.193 -1.254 10.303 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.502 -1.547 9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 78 84.738 2.253 10.002 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.725 -0.466 8.854 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.961 3.335 9.798 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.954 1.974 9.222 1.00 0.00 H new ATOM 1221 N CYS A 79 84.829 -2.839 7.906 1.00 0.00 N ATOM 1222 CA CYS A 79 85.842 -3.696 7.224 1.00 0.00 C ATOM 1223 C CYS A 79 85.589 -3.728 5.714 1.00 0.00 C ATOM 1224 O CYS A 79 86.486 -3.968 4.930 1.00 0.00 O ATOM 1225 CB CYS A 79 85.645 -5.087 7.826 1.00 0.00 C ATOM 1226 SG CYS A 79 87.078 -5.510 8.847 1.00 0.00 S ATOM 0 H CYS A 79 84.307 -3.296 8.654 1.00 0.00 H new ATOM 0 HA CYS A 79 86.857 -3.324 7.365 1.00 0.00 H new ATOM 0 HB2 CYS A 79 84.737 -5.109 8.428 1.00 0.00 H new ATOM 0 HB3 CYS A 79 85.520 -5.824 7.033 1.00 0.00 H new ATOM 0 HG CYS A 79 86.911 -6.692 9.361 1.00 0.00 H new ATOM 1232 N ALA A 80 84.374 -3.496 5.301 1.00 0.00 N ATOM 1233 CA ALA A 80 84.064 -3.521 3.842 1.00 0.00 C ATOM 1234 C ALA A 80 84.315 -2.148 3.213 1.00 0.00 C ATOM 1235 O ALA A 80 85.169 -1.989 2.362 1.00 0.00 O ATOM 1236 CB ALA A 80 82.582 -3.882 3.760 1.00 0.00 C ATOM 0 H ALA A 80 83.582 -3.290 5.910 1.00 0.00 H new ATOM 0 HA ALA A 80 84.692 -4.231 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.274 -3.921 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.418 -4.855 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 80 81.994 -3.128 4.283 1.00 0.00 H new ATOM 1242 N ALA A 81 83.569 -1.162 3.617 1.00 0.00 N ATOM 1243 CA ALA A 81 83.745 0.203 3.042 1.00 0.00 C ATOM 1244 C ALA A 81 85.221 0.618 3.056 1.00 0.00 C ATOM 1245 O ALA A 81 85.662 1.394 2.231 1.00 0.00 O ATOM 1246 CB ALA A 81 82.925 1.120 3.949 1.00 0.00 C ATOM 0 H ALA A 81 82.839 -1.241 4.325 1.00 0.00 H new ATOM 0 HA ALA A 81 83.421 0.250 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.002 2.147 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 81 81.881 0.808 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 81 83.307 1.060 4.968 1.00 0.00 H new ATOM 1252 N PHE A 82 85.987 0.119 3.987 1.00 0.00 N ATOM 1253 CA PHE A 82 87.428 0.503 4.044 1.00 0.00 C ATOM 1254 C PHE A 82 88.180 -0.040 2.825 1.00 0.00 C ATOM 1255 O PHE A 82 88.682 0.710 2.012 1.00 0.00 O ATOM 1256 CB PHE A 82 87.965 -0.124 5.329 1.00 0.00 C ATOM 1257 CG PHE A 82 88.982 0.805 5.945 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.710 2.175 6.037 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.198 0.300 6.420 1.00 0.00 C ATOM 1260 CE1 PHE A 82 89.653 3.040 6.604 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.142 1.166 6.986 1.00 0.00 C ATOM 1262 CZ PHE A 82 90.869 2.536 7.078 1.00 0.00 C ATOM 0 H PHE A 82 85.681 -0.535 4.708 1.00 0.00 H new ATOM 0 HA PHE A 82 87.558 1.585 4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.149 -0.305 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 82 88.421 -1.091 5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.772 2.565 5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 82 90.408 -0.757 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 82 89.442 4.097 6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.081 0.777 7.352 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.597 3.204 7.515 1.00 0.00 H new ATOM 1272 N HIS A 83 88.267 -1.336 2.690 1.00 0.00 N ATOM 1273 CA HIS A 83 88.994 -1.912 1.521 1.00 0.00 C ATOM 1274 C HIS A 83 88.534 -1.235 0.228 1.00 0.00 C ATOM 1275 O HIS A 83 89.231 -1.237 -0.766 1.00 0.00 O ATOM 1276 CB HIS A 83 88.632 -3.400 1.514 1.00 0.00 C ATOM 1277 CG HIS A 83 87.223 -3.582 1.018 1.00 0.00 C ATOM 1278 ND1 HIS A 83 86.612 -3.235 -0.162 1.00 0.00 N flip ATOM 1279 CD2 HIS A 83 86.245 -4.200 1.781 1.00 0.00 C flip ATOM 1280 CE1 HIS A 83 85.279 -3.630 -0.135 1.00 0.00 C flip ATOM 1281 NE2 HIS A 83 85.110 -4.206 1.058 1.00 0.00 N flip ATOM 0 H HIS A 83 87.868 -2.018 3.335 1.00 0.00 H new ATOM 0 HA HIS A 83 90.071 -1.761 1.591 1.00 0.00 H new ATOM 0 HB2 HIS A 83 89.325 -3.949 0.876 1.00 0.00 H new ATOM 0 HB3 HIS A 83 88.729 -3.812 2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 83 86.371 -4.603 2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 83 84.540 -3.499 -0.911 1.00 0.00 H new ATOM 0 HE2 HIS A 83 84.228 -4.602 1.382 1.00 0.00 H new ATOM 1289 N LEU A 84 87.364 -0.656 0.232 1.00 0.00 N ATOM 1290 CA LEU A 84 86.863 0.021 -0.998 1.00 0.00 C ATOM 1291 C LEU A 84 87.694 1.274 -1.287 1.00 0.00 C ATOM 1292 O LEU A 84 88.173 1.475 -2.385 1.00 0.00 O ATOM 1293 CB LEU A 84 85.416 0.401 -0.679 1.00 0.00 C ATOM 1294 CG LEU A 84 84.463 -0.463 -1.509 1.00 0.00 C ATOM 1295 CD1 LEU A 84 83.258 -0.861 -0.655 1.00 0.00 C ATOM 1296 CD2 LEU A 84 83.983 0.332 -2.725 1.00 0.00 C ATOM 0 H LEU A 84 86.734 -0.623 1.033 1.00 0.00 H new ATOM 0 HA LEU A 84 86.933 -0.618 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.218 0.260 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 84 85.250 1.456 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 84 84.985 -1.360 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 84 82.580 -1.476 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 84 83.598 -1.427 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 84 82.736 0.036 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 84 83.304 -0.282 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 84 83.462 1.229 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 84 84.840 0.616 -3.335 1.00 0.00 H new ATOM 1308 N ILE A 85 87.867 2.118 -0.307 1.00 0.00 N ATOM 1309 CA ILE A 85 88.664 3.361 -0.521 1.00 0.00 C ATOM 1310 C ILE A 85 90.106 3.011 -0.906 1.00 0.00 C ATOM 1311 O ILE A 85 90.634 3.505 -1.883 1.00 0.00 O ATOM 1312 CB ILE A 85 88.623 4.087 0.828 1.00 0.00 C ATOM 1313 CG1 ILE A 85 87.282 4.812 0.973 1.00 0.00 C ATOM 1314 CG2 ILE A 85 89.761 5.107 0.906 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.372 4.018 1.911 1.00 0.00 C ATOM 0 H ILE A 85 87.491 2.001 0.634 1.00 0.00 H new ATOM 0 HA ILE A 85 88.267 3.976 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 85 88.738 3.359 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.440 5.816 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.809 4.923 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 85 89.725 5.619 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 85 90.717 4.594 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 85 89.652 5.836 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.417 4.534 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 85 86.204 3.023 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.845 3.931 2.889 1.00 0.00 H new ATOM 1327 N VAL A 86 90.747 2.168 -0.144 1.00 0.00 N ATOM 1328 CA VAL A 86 92.154 1.793 -0.464 1.00 0.00 C ATOM 1329 C VAL A 86 92.207 0.950 -1.740 1.00 0.00 C ATOM 1330 O VAL A 86 93.219 0.878 -2.408 1.00 0.00 O ATOM 1331 CB VAL A 86 92.624 0.972 0.736 1.00 0.00 C ATOM 1332 CG1 VAL A 86 94.072 0.528 0.516 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.541 1.826 2.003 1.00 0.00 C ATOM 0 H VAL A 86 90.357 1.722 0.687 1.00 0.00 H new ATOM 0 HA VAL A 86 92.782 2.667 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 86 91.987 0.094 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 86 94.407 -0.058 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 86 94.133 -0.081 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 86 94.709 1.406 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 86 92.876 1.240 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 86 93.177 2.704 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.510 2.143 2.161 1.00 0.00 H new ATOM 1343 N ALA A 87 91.124 0.307 -2.083 1.00 0.00 N ATOM 1344 CA ALA A 87 91.115 -0.533 -3.315 1.00 0.00 C ATOM 1345 C ALA A 87 91.204 0.350 -4.563 1.00 0.00 C ATOM 1346 O ALA A 87 91.433 -0.128 -5.657 1.00 0.00 O ATOM 1347 CB ALA A 87 89.780 -1.277 -3.280 1.00 0.00 C ATOM 0 H ALA A 87 90.246 0.327 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 87 91.963 -1.217 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.698 -1.919 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.727 -1.887 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.962 -0.557 -3.280 1.00 0.00 H new ATOM 1353 N ARG A 88 91.027 1.633 -4.408 1.00 0.00 N ATOM 1354 CA ARG A 88 91.105 2.541 -5.588 1.00 0.00 C ATOM 1355 C ARG A 88 92.559 2.935 -5.857 1.00 0.00 C ATOM 1356 O ARG A 88 92.850 3.693 -6.761 1.00 0.00 O ATOM 1357 CB ARG A 88 90.278 3.767 -5.200 1.00 0.00 C ATOM 1358 CG ARG A 88 89.945 4.578 -6.454 1.00 0.00 C ATOM 1359 CD ARG A 88 88.596 4.122 -7.014 1.00 0.00 C ATOM 1360 NE ARG A 88 88.400 4.929 -8.251 1.00 0.00 N ATOM 1361 CZ ARG A 88 87.208 5.056 -8.767 1.00 0.00 C ATOM 1362 NH1 ARG A 88 86.213 4.348 -8.303 1.00 0.00 N ATOM 1363 NH2 ARG A 88 87.009 5.892 -9.750 1.00 0.00 N ATOM 0 H ARG A 88 90.832 2.092 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 88 90.732 2.070 -6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 88 89.360 3.456 -4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 88 90.832 4.383 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 88 89.911 5.641 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 88 90.725 4.446 -7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 88 88.601 3.055 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 88 87.792 4.295 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 88 89.198 5.383 -8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 88 86.367 3.694 -7.536 1.00 0.00 H new ATOM 0 HH12 ARG A 88 85.282 4.449 -8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 88 87.785 6.445 -10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 88 86.078 5.992 -10.154 1.00 0.00 H new ATOM 1377 N LYS A 89 93.473 2.426 -5.078 1.00 0.00 N ATOM 1378 CA LYS A 89 94.907 2.770 -5.285 1.00 0.00 C ATOM 1379 C LYS A 89 95.595 1.691 -6.127 1.00 0.00 C ATOM 1380 O LYS A 89 96.004 1.931 -7.247 1.00 0.00 O ATOM 1381 CB LYS A 89 95.506 2.819 -3.879 1.00 0.00 C ATOM 1382 CG LYS A 89 94.643 3.713 -2.987 1.00 0.00 C ATOM 1383 CD LYS A 89 94.356 5.032 -3.709 1.00 0.00 C ATOM 1384 CE LYS A 89 95.674 5.755 -3.998 1.00 0.00 C ATOM 1385 NZ LYS A 89 95.286 6.958 -4.785 1.00 0.00 N ATOM 0 H LYS A 89 93.288 1.786 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 89 95.034 3.713 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 89 95.561 1.814 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.525 3.203 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 89 93.708 3.208 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 89 95.155 3.906 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 89 93.823 4.840 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 89 93.711 5.661 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 89 96.182 6.034 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 89 96.359 5.119 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 96.137 7.507 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 94.810 6.661 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 94.640 7.547 -4.222 1.00 0.00 H new ATOM 1399 N ASN A 90 95.727 0.506 -5.598 1.00 0.00 N ATOM 1400 CA ASN A 90 96.391 -0.584 -6.367 1.00 0.00 C ATOM 1401 C ASN A 90 95.433 -1.153 -7.420 1.00 0.00 C ATOM 1402 O ASN A 90 95.747 -2.104 -8.107 1.00 0.00 O ATOM 1403 CB ASN A 90 96.737 -1.649 -5.326 1.00 0.00 C ATOM 1404 CG ASN A 90 97.906 -1.163 -4.467 1.00 0.00 C ATOM 1405 OD1 ASN A 90 99.039 -1.540 -4.692 1.00 0.00 O ATOM 1406 ND2 ASN A 90 97.678 -0.335 -3.484 1.00 0.00 N ATOM 0 H ASN A 90 95.404 0.245 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 90 97.274 -0.232 -6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 90 95.870 -1.853 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 90 97.000 -2.584 -5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 90 98.451 -0.005 -2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 90 96.727 -0.018 -3.294 1.00 0.00 H new ATOM 1413 N GLY A 91 94.268 -0.580 -7.549 1.00 0.00 N ATOM 1414 CA GLY A 91 93.296 -1.092 -8.557 1.00 0.00 C ATOM 1415 C GLY A 91 92.836 -2.494 -8.155 1.00 0.00 C ATOM 1416 O GLY A 91 92.861 -3.416 -8.946 1.00 0.00 O ATOM 0 H GLY A 91 93.947 0.219 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 91 92.439 -0.422 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 91 93.759 -1.118 -9.544 1.00 0.00 H new ATOM 1420 N TYR A 92 92.418 -2.661 -6.931 1.00 0.00 N ATOM 1421 CA TYR A 92 91.957 -4.006 -6.477 1.00 0.00 C ATOM 1422 C TYR A 92 90.798 -4.493 -7.352 1.00 0.00 C ATOM 1423 O TYR A 92 90.241 -3.737 -8.123 1.00 0.00 O ATOM 1424 CB TYR A 92 91.485 -3.798 -5.037 1.00 0.00 C ATOM 1425 CG TYR A 92 92.620 -4.096 -4.087 1.00 0.00 C ATOM 1426 CD1 TYR A 92 93.533 -3.089 -3.748 1.00 0.00 C ATOM 1427 CD2 TYR A 92 92.759 -5.378 -3.542 1.00 0.00 C ATOM 1428 CE1 TYR A 92 94.585 -3.366 -2.866 1.00 0.00 C ATOM 1429 CE2 TYR A 92 93.810 -5.655 -2.660 1.00 0.00 C ATOM 1430 CZ TYR A 92 94.722 -4.649 -2.322 1.00 0.00 C ATOM 1431 OH TYR A 92 95.757 -4.920 -1.451 1.00 0.00 O ATOM 0 H TYR A 92 92.375 -1.926 -6.225 1.00 0.00 H new ATOM 0 HA TYR A 92 92.745 -4.756 -6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 92 91.142 -2.773 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 92 90.637 -4.449 -4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 92 93.426 -2.099 -4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 92 92.055 -6.154 -3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 92 95.290 -2.591 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 92 93.917 -6.644 -2.241 1.00 0.00 H new ATOM 0 HH TYR A 92 95.707 -5.856 -1.165 1.00 0.00 H new ATOM 1441 N PRO A 93 90.478 -5.750 -7.199 1.00 0.00 N ATOM 1442 CA PRO A 93 89.374 -6.356 -7.985 1.00 0.00 C ATOM 1443 C PRO A 93 88.066 -5.600 -7.738 1.00 0.00 C ATOM 1444 O PRO A 93 88.025 -4.637 -6.997 1.00 0.00 O ATOM 1445 CB PRO A 93 89.281 -7.788 -7.454 1.00 0.00 C ATOM 1446 CG PRO A 93 90.574 -8.042 -6.745 1.00 0.00 C ATOM 1447 CD PRO A 93 91.109 -6.710 -6.292 1.00 0.00 C ATOM 0 HA PRO A 93 89.552 -6.321 -9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 93 88.434 -7.900 -6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 93 89.134 -8.498 -8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 93 90.421 -8.704 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 93 91.285 -8.536 -7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 93 90.850 -6.508 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 93 92.196 -6.671 -6.362 1.00 0.00 H new ATOM 1455 N LEU A 94 86.998 -6.026 -8.354 1.00 0.00 N ATOM 1456 CA LEU A 94 85.694 -5.331 -8.157 1.00 0.00 C ATOM 1457 C LEU A 94 84.703 -6.251 -7.437 1.00 0.00 C ATOM 1458 O LEU A 94 83.994 -7.013 -8.064 1.00 0.00 O ATOM 1459 CB LEU A 94 85.202 -5.013 -9.569 1.00 0.00 C ATOM 1460 CG LEU A 94 85.310 -3.509 -9.821 1.00 0.00 C ATOM 1461 CD1 LEU A 94 84.466 -2.756 -8.791 1.00 0.00 C ATOM 1462 CD2 LEU A 94 86.772 -3.076 -9.695 1.00 0.00 C ATOM 0 H LEU A 94 86.972 -6.826 -8.986 1.00 0.00 H new ATOM 0 HA LEU A 94 85.792 -4.434 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 94 85.794 -5.559 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 94 84.169 -5.339 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 94 84.947 -3.282 -10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 94 84.543 -1.684 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 94 83.424 -3.064 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 94 84.828 -2.983 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 94 86.851 -2.004 -9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 94 87.134 -3.304 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 94 87.375 -3.612 -10.428 1.00 0.00 H new ATOM 1474 N PRO A 95 84.689 -6.143 -6.137 1.00 0.00 N ATOM 1475 CA PRO A 95 83.775 -6.974 -5.313 1.00 0.00 C ATOM 1476 C PRO A 95 82.319 -6.719 -5.712 1.00 0.00 C ATOM 1477 O PRO A 95 81.653 -7.579 -6.254 1.00 0.00 O ATOM 1478 CB PRO A 95 84.032 -6.505 -3.880 1.00 0.00 C ATOM 1479 CG PRO A 95 85.332 -5.764 -3.921 1.00 0.00 C ATOM 1480 CD PRO A 95 85.511 -5.248 -5.323 1.00 0.00 C ATOM 0 HA PRO A 95 83.948 -8.043 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 95 83.226 -5.861 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 95 84.086 -7.351 -3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 95 85.327 -4.941 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 95 86.157 -6.421 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 95 85.182 -4.213 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 95 86.557 -5.278 -5.629 1.00 0.00 H new ATOM 1488 N GLU A 96 81.821 -5.543 -5.447 1.00 0.00 N ATOM 1489 CA GLU A 96 80.408 -5.231 -5.810 1.00 0.00 C ATOM 1490 C GLU A 96 80.167 -3.721 -5.742 1.00 0.00 C ATOM 1491 O GLU A 96 81.093 -2.938 -5.671 1.00 0.00 O ATOM 1492 CB GLU A 96 79.562 -5.957 -4.761 1.00 0.00 C ATOM 1493 CG GLU A 96 78.420 -6.703 -5.453 1.00 0.00 C ATOM 1494 CD GLU A 96 77.430 -7.209 -4.402 1.00 0.00 C ATOM 1495 OE1 GLU A 96 77.270 -6.536 -3.397 1.00 0.00 O ATOM 1496 OE2 GLU A 96 76.850 -8.259 -4.620 1.00 0.00 O ATOM 0 H GLU A 96 82.331 -4.784 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 96 80.161 -5.547 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 96 80.181 -6.658 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 96 79.161 -5.241 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 96 77.914 -6.042 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 96 78.815 -7.540 -6.029 1.00 0.00 H new ATOM 1503 N GLY A 97 78.930 -3.306 -5.765 1.00 0.00 N ATOM 1504 CA GLY A 97 78.633 -1.847 -5.702 1.00 0.00 C ATOM 1505 C GLY A 97 77.670 -1.473 -6.829 1.00 0.00 C ATOM 1506 O GLY A 97 76.474 -1.389 -6.634 1.00 0.00 O ATOM 0 H GLY A 97 78.113 -3.914 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 97 78.194 -1.596 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 97 79.555 -1.273 -5.792 1.00 0.00 H new ATOM 1510 N LEU A 98 78.182 -1.250 -8.007 1.00 0.00 N ATOM 1511 CA LEU A 98 77.294 -0.884 -9.148 1.00 0.00 C ATOM 1512 C LEU A 98 77.997 -1.176 -10.477 1.00 0.00 C ATOM 1513 O LEU A 98 78.136 -0.304 -11.311 1.00 0.00 O ATOM 1514 CB LEU A 98 77.042 0.616 -8.990 1.00 0.00 C ATOM 1515 CG LEU A 98 75.566 0.915 -9.250 1.00 0.00 C ATOM 1516 CD1 LEU A 98 75.183 2.233 -8.574 1.00 0.00 C ATOM 1517 CD2 LEU A 98 75.327 1.027 -10.758 1.00 0.00 C ATOM 0 H LEU A 98 79.176 -1.305 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 98 76.364 -1.453 -9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 98 77.318 0.938 -7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 98 77.666 1.176 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 98 74.956 0.109 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 98 74.130 2.445 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 98 75.353 2.154 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 98 75.793 3.040 -8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 98 74.274 1.240 -10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 98 75.938 1.833 -11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 98 75.598 0.088 -11.240 1.00 0.00 H new ATOM 1529 N PRO A 99 78.416 -2.402 -10.624 1.00 0.00 N ATOM 1530 CA PRO A 99 79.113 -2.827 -11.863 1.00 0.00 C ATOM 1531 C PRO A 99 78.184 -2.674 -13.071 1.00 0.00 C ATOM 1532 O PRO A 99 77.035 -2.310 -12.928 1.00 0.00 O ATOM 1533 CB PRO A 99 79.450 -4.299 -11.621 1.00 0.00 C ATOM 1534 CG PRO A 99 78.603 -4.726 -10.462 1.00 0.00 C ATOM 1535 CD PRO A 99 78.279 -3.496 -9.661 1.00 0.00 C ATOM 0 HA PRO A 99 80.000 -2.230 -12.075 1.00 0.00 H new ATOM 0 HB2 PRO A 99 79.235 -4.900 -12.505 1.00 0.00 H new ATOM 0 HB3 PRO A 99 80.510 -4.426 -11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 99 77.690 -5.207 -10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 99 79.133 -5.455 -9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 99 77.271 -3.542 -9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 99 78.962 -3.376 -8.820 1.00 0.00 H new ATOM 1543 N PRO A 100 78.721 -2.958 -14.227 1.00 0.00 N ATOM 1544 CA PRO A 100 77.932 -2.851 -15.478 1.00 0.00 C ATOM 1545 C PRO A 100 76.769 -3.848 -15.461 1.00 0.00 C ATOM 1546 O PRO A 100 76.890 -4.966 -15.920 1.00 0.00 O ATOM 1547 CB PRO A 100 78.931 -3.199 -16.582 1.00 0.00 C ATOM 1548 CG PRO A 100 80.068 -3.890 -15.894 1.00 0.00 C ATOM 1549 CD PRO A 100 80.095 -3.400 -14.473 1.00 0.00 C ATOM 0 HA PRO A 100 77.490 -1.864 -15.616 1.00 0.00 H new ATOM 0 HB2 PRO A 100 78.476 -3.845 -17.333 1.00 0.00 H new ATOM 0 HB3 PRO A 100 79.272 -2.302 -17.099 1.00 0.00 H new ATOM 0 HG2 PRO A 100 79.936 -4.971 -15.925 1.00 0.00 H new ATOM 0 HG3 PRO A 100 81.011 -3.670 -16.394 1.00 0.00 H new ATOM 0 HD2 PRO A 100 80.390 -4.191 -13.783 1.00 0.00 H new ATOM 0 HD3 PRO A 100 80.806 -2.584 -14.345 1.00 0.00 H new ATOM 1557 N THR A 101 75.641 -3.450 -14.936 1.00 0.00 N ATOM 1558 CA THR A 101 74.470 -4.371 -14.891 1.00 0.00 C ATOM 1559 C THR A 101 73.169 -3.566 -14.836 1.00 0.00 C ATOM 1560 O THR A 101 72.210 -3.959 -14.203 1.00 0.00 O ATOM 1561 CB THR A 101 74.652 -5.184 -13.608 1.00 0.00 C ATOM 1562 OG1 THR A 101 73.449 -5.881 -13.315 1.00 0.00 O ATOM 1563 CG2 THR A 101 74.994 -4.244 -12.452 1.00 0.00 C ATOM 0 H THR A 101 75.481 -2.526 -14.536 1.00 0.00 H new ATOM 0 HA THR A 101 74.413 -5.010 -15.772 1.00 0.00 H new ATOM 0 HB THR A 101 75.462 -5.900 -13.743 1.00 0.00 H new ATOM 0 HG1 THR A 101 72.705 -5.244 -13.267 1.00 0.00 H new ATOM 0 HG21 THR A 101 75.124 -4.824 -11.538 1.00 0.00 H new ATOM 0 HG22 THR A 101 75.918 -3.711 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 101 74.185 -3.526 -12.315 1.00 0.00 H new ATOM 1571 N LEU A 102 73.132 -2.440 -15.493 1.00 0.00 N ATOM 1572 CA LEU A 102 71.895 -1.608 -15.477 1.00 0.00 C ATOM 1573 C LEU A 102 71.472 -1.274 -16.909 1.00 0.00 C ATOM 1574 O LEU A 102 70.358 -1.546 -17.307 1.00 0.00 O ATOM 1575 CB LEU A 102 72.287 -0.337 -14.722 1.00 0.00 C ATOM 1576 CG LEU A 102 71.050 0.270 -14.059 1.00 0.00 C ATOM 1577 CD1 LEU A 102 71.121 0.051 -12.547 1.00 0.00 C ATOM 1578 CD2 LEU A 102 71.004 1.771 -14.350 1.00 0.00 C ATOM 0 H LEU A 102 73.904 -2.060 -16.040 1.00 0.00 H new ATOM 0 HA LEU A 102 71.054 -2.118 -15.007 1.00 0.00 H new ATOM 0 HB2 LEU A 102 73.040 -0.568 -13.968 1.00 0.00 H new ATOM 0 HB3 LEU A 102 72.734 0.382 -15.408 1.00 0.00 H new ATOM 0 HG LEU A 102 70.154 -0.209 -14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 102 70.239 0.484 -12.075 1.00 0.00 H new ATOM 0 HD12 LEU A 102 71.158 -1.018 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 102 72.016 0.531 -12.152 1.00 0.00 H new ATOM 0 HD21 LEU A 102 70.123 2.206 -13.878 1.00 0.00 H new ATOM 0 HD22 LEU A 102 71.901 2.246 -13.952 1.00 0.00 H new ATOM 0 HD23 LEU A 102 70.956 1.931 -15.427 1.00 0.00 H new ATOM 1590 N GLN A 103 72.368 -0.686 -17.668 1.00 0.00 N ATOM 1591 CA GLN A 103 72.073 -0.308 -19.091 1.00 0.00 C ATOM 1592 C GLN A 103 70.567 -0.150 -19.345 1.00 0.00 C ATOM 1593 O GLN A 103 70.015 -0.811 -20.201 1.00 0.00 O ATOM 1594 CB GLN A 103 72.629 -1.465 -19.920 1.00 0.00 C ATOM 1595 CG GLN A 103 71.716 -2.681 -19.774 1.00 0.00 C ATOM 1596 CD GLN A 103 72.525 -3.869 -19.249 1.00 0.00 C ATOM 1597 OE1 GLN A 103 73.271 -3.737 -18.298 1.00 0.00 O ATOM 1598 NE2 GLN A 103 72.411 -5.030 -19.832 1.00 0.00 N ATOM 0 H GLN A 103 73.309 -0.447 -17.356 1.00 0.00 H new ATOM 0 HA GLN A 103 72.519 0.653 -19.345 1.00 0.00 H new ATOM 0 HB2 GLN A 103 72.700 -1.174 -20.968 1.00 0.00 H new ATOM 0 HB3 GLN A 103 73.638 -1.712 -19.589 1.00 0.00 H new ATOM 0 HG2 GLN A 103 70.898 -2.454 -19.090 1.00 0.00 H new ATOM 0 HG3 GLN A 103 71.268 -2.930 -20.736 1.00 0.00 H new ATOM 0 HE21 GLN A 103 71.785 -5.141 -20.630 1.00 0.00 H new ATOM 0 HE22 GLN A 103 72.948 -5.827 -19.490 1.00 0.00 H new ATOM 1607 N PRO A 104 69.945 0.719 -18.593 1.00 0.00 N ATOM 1608 CA PRO A 104 68.489 0.952 -18.744 1.00 0.00 C ATOM 1609 C PRO A 104 68.218 1.813 -19.981 1.00 0.00 C ATOM 1610 O PRO A 104 67.447 1.449 -20.846 1.00 0.00 O ATOM 1611 CB PRO A 104 68.098 1.704 -17.466 1.00 0.00 C ATOM 1612 CG PRO A 104 69.335 1.744 -16.618 1.00 0.00 C ATOM 1613 CD PRO A 104 70.505 1.557 -17.538 1.00 0.00 C ATOM 0 HA PRO A 104 67.922 0.030 -18.875 1.00 0.00 H new ATOM 0 HB2 PRO A 104 67.750 2.711 -17.696 1.00 0.00 H new ATOM 0 HB3 PRO A 104 67.285 1.196 -16.947 1.00 0.00 H new ATOM 0 HG2 PRO A 104 69.409 2.694 -16.089 1.00 0.00 H new ATOM 0 HG3 PRO A 104 69.310 0.959 -15.862 1.00 0.00 H new ATOM 0 HD2 PRO A 104 70.872 2.507 -17.926 1.00 0.00 H new ATOM 0 HD3 PRO A 104 71.343 1.073 -17.036 1.00 0.00 H new ATOM 1621 N GLU A 105 68.845 2.952 -20.068 1.00 0.00 N ATOM 1622 CA GLU A 105 68.626 3.838 -21.243 1.00 0.00 C ATOM 1623 C GLU A 105 69.721 3.613 -22.289 1.00 0.00 C ATOM 1624 O GLU A 105 69.702 4.194 -23.356 1.00 0.00 O ATOM 1625 CB GLU A 105 68.699 5.260 -20.686 1.00 0.00 C ATOM 1626 CG GLU A 105 67.998 6.223 -21.647 1.00 0.00 C ATOM 1627 CD GLU A 105 68.612 7.618 -21.514 1.00 0.00 C ATOM 1628 OE1 GLU A 105 68.716 8.092 -20.395 1.00 0.00 O ATOM 1629 OE2 GLU A 105 68.966 8.187 -22.533 1.00 0.00 O ATOM 0 H GLU A 105 69.502 3.308 -19.374 1.00 0.00 H new ATOM 0 HA GLU A 105 67.674 3.642 -21.736 1.00 0.00 H new ATOM 0 HB2 GLU A 105 68.227 5.302 -19.704 1.00 0.00 H new ATOM 0 HB3 GLU A 105 69.739 5.556 -20.552 1.00 0.00 H new ATOM 0 HG2 GLU A 105 68.098 5.867 -22.672 1.00 0.00 H new ATOM 0 HG3 GLU A 105 66.931 6.261 -21.426 1.00 0.00 H new ATOM 1636 N PHE A 106 70.678 2.776 -21.992 1.00 0.00 N ATOM 1637 CA PHE A 106 71.771 2.520 -22.968 1.00 0.00 C ATOM 1638 C PHE A 106 71.478 1.255 -23.778 1.00 0.00 C ATOM 1639 O PHE A 106 72.369 0.499 -24.110 1.00 0.00 O ATOM 1640 CB PHE A 106 73.028 2.338 -22.118 1.00 0.00 C ATOM 1641 CG PHE A 106 73.214 3.548 -21.234 1.00 0.00 C ATOM 1642 CD1 PHE A 106 73.048 4.833 -21.763 1.00 0.00 C ATOM 1643 CD2 PHE A 106 73.551 3.384 -19.885 1.00 0.00 C ATOM 1644 CE1 PHE A 106 73.220 5.955 -20.943 1.00 0.00 C ATOM 1645 CE2 PHE A 106 73.722 4.506 -19.065 1.00 0.00 C ATOM 1646 CZ PHE A 106 73.557 5.791 -19.594 1.00 0.00 C ATOM 0 H PHE A 106 70.749 2.259 -21.115 1.00 0.00 H new ATOM 0 HA PHE A 106 71.880 3.333 -23.686 1.00 0.00 H new ATOM 0 HB2 PHE A 106 72.941 1.438 -21.509 1.00 0.00 H new ATOM 0 HB3 PHE A 106 73.899 2.205 -22.760 1.00 0.00 H new ATOM 0 HD1 PHE A 106 72.787 4.959 -22.803 1.00 0.00 H new ATOM 0 HD2 PHE A 106 73.679 2.392 -19.477 1.00 0.00 H new ATOM 0 HE1 PHE A 106 73.093 6.947 -21.351 1.00 0.00 H new ATOM 0 HE2 PHE A 106 73.981 4.380 -18.024 1.00 0.00 H new ATOM 0 HZ PHE A 106 73.690 6.656 -18.962 1.00 0.00 H new ATOM 1656 N ILE A 107 70.237 1.023 -24.100 1.00 0.00 N ATOM 1657 CA ILE A 107 69.886 -0.189 -24.890 1.00 0.00 C ATOM 1658 C ILE A 107 69.759 0.169 -26.374 1.00 0.00 C ATOM 1659 O ILE A 107 70.115 -0.603 -27.241 1.00 0.00 O ATOM 1660 CB ILE A 107 68.542 -0.651 -24.329 1.00 0.00 C ATOM 1661 CG1 ILE A 107 68.717 -1.054 -22.863 1.00 0.00 C ATOM 1662 CG2 ILE A 107 68.038 -1.852 -25.132 1.00 0.00 C ATOM 1663 CD1 ILE A 107 69.755 -2.174 -22.764 1.00 0.00 C ATOM 0 H ILE A 107 69.449 1.621 -23.850 1.00 0.00 H new ATOM 0 HA ILE A 107 70.645 -0.968 -24.816 1.00 0.00 H new ATOM 0 HB ILE A 107 67.818 0.161 -24.401 1.00 0.00 H new ATOM 0 HG12 ILE A 107 69.036 -0.194 -22.274 1.00 0.00 H new ATOM 0 HG13 ILE A 107 67.765 -1.388 -22.450 1.00 0.00 H new ATOM 0 HG21 ILE A 107 67.079 -2.181 -24.731 1.00 0.00 H new ATOM 0 HG22 ILE A 107 67.916 -1.566 -26.177 1.00 0.00 H new ATOM 0 HG23 ILE A 107 68.760 -2.666 -25.061 1.00 0.00 H new ATOM 0 HD11 ILE A 107 69.881 -2.462 -21.720 1.00 0.00 H new ATOM 0 HD12 ILE A 107 69.417 -3.035 -23.340 1.00 0.00 H new ATOM 0 HD13 ILE A 107 70.708 -1.823 -23.161 1.00 0.00 H new ATOM 1675 N VAL A 108 69.255 1.336 -26.669 1.00 0.00 N ATOM 1676 CA VAL A 108 69.105 1.746 -28.093 1.00 0.00 C ATOM 1677 C VAL A 108 70.390 2.416 -28.590 1.00 0.00 C ATOM 1678 O VAL A 108 70.652 3.567 -28.304 1.00 0.00 O ATOM 1679 CB VAL A 108 67.945 2.740 -28.097 1.00 0.00 C ATOM 1680 CG1 VAL A 108 67.844 3.402 -29.473 1.00 0.00 C ATOM 1681 CG2 VAL A 108 66.640 2.003 -27.790 1.00 0.00 C ATOM 0 H VAL A 108 68.940 2.024 -25.984 1.00 0.00 H new ATOM 0 HA VAL A 108 68.917 0.897 -28.750 1.00 0.00 H new ATOM 0 HB VAL A 108 68.119 3.503 -27.338 1.00 0.00 H new ATOM 0 HG11 VAL A 108 67.016 4.111 -29.476 1.00 0.00 H new ATOM 0 HG12 VAL A 108 68.773 3.928 -29.693 1.00 0.00 H new ATOM 0 HG13 VAL A 108 67.671 2.639 -30.232 1.00 0.00 H new ATOM 0 HG21 VAL A 108 65.812 2.712 -27.793 1.00 0.00 H new ATOM 0 HG22 VAL A 108 66.466 1.240 -28.548 1.00 0.00 H new ATOM 0 HG23 VAL A 108 66.710 1.531 -26.810 1.00 0.00 H new ATOM 1691 N THR A 109 71.190 1.703 -29.333 1.00 0.00 N ATOM 1692 CA THR A 109 72.456 2.299 -29.849 1.00 0.00 C ATOM 1693 C THR A 109 73.176 3.062 -28.733 1.00 0.00 C ATOM 1694 O THR A 109 73.828 4.060 -28.971 1.00 0.00 O ATOM 1695 CB THR A 109 72.020 3.256 -30.958 1.00 0.00 C ATOM 1696 OG1 THR A 109 71.191 2.563 -31.881 1.00 0.00 O ATOM 1697 CG2 THR A 109 73.252 3.797 -31.683 1.00 0.00 C ATOM 0 H THR A 109 71.023 0.734 -29.605 1.00 0.00 H new ATOM 0 HA THR A 109 73.150 1.542 -30.214 1.00 0.00 H new ATOM 0 HB THR A 109 71.465 4.087 -30.523 1.00 0.00 H new ATOM 0 HG1 THR A 109 70.909 3.176 -32.592 1.00 0.00 H new ATOM 0 HG21 THR A 109 72.939 4.479 -32.473 1.00 0.00 H new ATOM 0 HG22 THR A 109 73.887 4.329 -30.974 1.00 0.00 H new ATOM 0 HG23 THR A 109 73.811 2.969 -32.119 1.00 0.00 H new ATOM 1705 N ASP A 110 73.065 2.599 -27.518 1.00 0.00 N ATOM 1706 CA ASP A 110 73.742 3.297 -26.387 1.00 0.00 C ATOM 1707 C ASP A 110 73.341 4.774 -26.357 1.00 0.00 C ATOM 1708 O ASP A 110 72.658 5.203 -27.273 1.00 0.00 O ATOM 1709 CB ASP A 110 75.239 3.153 -26.672 1.00 0.00 C ATOM 1710 CG ASP A 110 75.934 2.543 -25.454 1.00 0.00 C ATOM 1711 OD1 ASP A 110 75.913 3.171 -24.408 1.00 0.00 O ATOM 1712 OD2 ASP A 110 76.477 1.459 -25.588 1.00 0.00 O ATOM 1713 OXT ASP A 110 73.723 5.452 -25.417 1.00 0.00 O ATOM 0 H ASP A 110 72.535 1.767 -27.259 1.00 0.00 H new ATOM 0 HA ASP A 110 73.468 2.876 -25.420 1.00 0.00 H new ATOM 0 HB2 ASP A 110 75.394 2.521 -27.547 1.00 0.00 H new ATOM 0 HB3 ASP A 110 75.672 4.127 -26.901 1.00 0.00 H new TER 1718 ASP A 110 HETATM 1719 CA CA A 111 74.640 0.526 8.799 1.00 0.00 CA