USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 725 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 45 TYR OH : rot 30:sc=-0.000921 USER MOD Set 1.2: A 56 TYR OH : rot -86:sc= 0.232 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.00866 (180deg=0) USER MOD Single : A 2 SER OG : rot 55:sc= 1.23 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.023 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 23:sc= 0.0727! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00844 X(o=-0.0084,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= -0.322 (180deg=-1.29!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 37 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.114) USER MOD Single : A 39 GLN : amide:sc=-0.000424 X(o=-0.00042,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 59:sc= 0.959 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.483 K(o=-0.48,f=-1.2) USER MOD Single : A 64 THR OG1 : rot -44:sc= 0.656 USER MOD Single : A 66 LYS NZ :NH3+ -152:sc= -0.208 (180deg=-0.822) USER MOD Single : A 67 HIS : no HD1:sc= -0.425 K(o=-0.42,f=-3.2) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 90:sc= -1.79 USER MOD Single : A 83 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-9.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.467 K(o=-0.47,f=-2.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.705 -28.255 7.501 1.00 0.00 N ATOM 2 CA GLY A 1 42.910 -27.972 6.273 1.00 0.00 C ATOM 3 C GLY A 1 43.712 -27.234 5.219 1.00 0.00 C ATOM 4 O GLY A 1 44.910 -27.468 5.064 1.00 0.00 O ATOM 0 H1 GLY A 1 43.529 -29.232 7.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 44.717 -28.134 7.295 1.00 0.00 H new ATOM 0 H3 GLY A 1 43.425 -27.596 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 42.545 -28.911 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 42.034 -27.380 6.539 1.00 0.00 H new ATOM 10 N SER A 2 43.049 -26.340 4.493 1.00 0.00 N ATOM 11 CA SER A 2 43.706 -25.563 3.448 1.00 0.00 C ATOM 12 C SER A 2 42.768 -24.500 2.889 1.00 0.00 C ATOM 13 O SER A 2 41.575 -24.744 2.704 1.00 0.00 O ATOM 14 CB SER A 2 44.181 -26.484 2.323 1.00 0.00 C ATOM 15 OG SER A 2 45.516 -26.908 2.538 1.00 0.00 O ATOM 0 H SER A 2 42.056 -26.135 4.609 1.00 0.00 H new ATOM 0 HA SER A 2 44.569 -25.064 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 2 43.526 -27.353 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 44.111 -25.962 1.368 1.00 0.00 H new ATOM 0 HG SER A 2 45.590 -27.319 3.425 1.00 0.00 H new ATOM 21 N SER A 3 43.313 -23.317 2.622 1.00 0.00 N ATOM 22 CA SER A 3 42.523 -22.216 2.084 1.00 0.00 C ATOM 23 C SER A 3 43.333 -21.407 1.075 1.00 0.00 C ATOM 24 O SER A 3 44.562 -21.457 1.067 1.00 0.00 O ATOM 25 CB SER A 3 42.042 -21.305 3.215 1.00 0.00 C ATOM 26 OG SER A 3 43.047 -21.144 4.202 1.00 0.00 O ATOM 0 H SER A 3 44.298 -23.097 2.770 1.00 0.00 H new ATOM 0 HA SER A 3 41.658 -22.639 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 3 41.766 -20.331 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 3 41.145 -21.727 3.670 1.00 0.00 H new ATOM 0 HG SER A 3 42.716 -20.556 4.913 1.00 0.00 H new ATOM 32 N GLY A 4 42.633 -20.663 0.224 1.00 0.00 N ATOM 33 CA GLY A 4 43.301 -19.855 -0.779 1.00 0.00 C ATOM 34 C GLY A 4 42.395 -19.510 -1.944 1.00 0.00 C ATOM 35 O GLY A 4 42.794 -19.621 -3.103 1.00 0.00 O ATOM 0 H GLY A 4 41.615 -20.606 0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 43.662 -18.935 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 4 44.175 -20.390 -1.149 1.00 0.00 H new ATOM 39 N SER A 5 41.173 -19.089 -1.635 1.00 0.00 N ATOM 40 CA SER A 5 40.207 -18.727 -2.666 1.00 0.00 C ATOM 41 C SER A 5 40.038 -17.212 -2.747 1.00 0.00 C ATOM 42 O SER A 5 39.946 -16.534 -1.724 1.00 0.00 O ATOM 43 CB SER A 5 38.856 -19.388 -2.383 1.00 0.00 C ATOM 44 OG SER A 5 38.679 -19.611 -0.995 1.00 0.00 O ATOM 0 H SER A 5 40.828 -18.990 -0.680 1.00 0.00 H new ATOM 0 HA SER A 5 40.585 -19.084 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 5 38.052 -18.755 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.792 -20.336 -2.918 1.00 0.00 H new ATOM 0 HG SER A 5 37.808 -20.032 -0.840 1.00 0.00 H new ATOM 50 N SER A 6 39.998 -16.691 -3.968 1.00 0.00 N ATOM 51 CA SER A 6 39.840 -15.257 -4.183 1.00 0.00 C ATOM 52 C SER A 6 38.521 -14.762 -3.598 1.00 0.00 C ATOM 53 O SER A 6 37.447 -15.076 -4.111 1.00 0.00 O ATOM 54 CB SER A 6 39.902 -14.935 -5.676 1.00 0.00 C ATOM 55 OG SER A 6 40.540 -13.689 -5.904 1.00 0.00 O ATOM 0 H SER A 6 40.073 -17.240 -4.824 1.00 0.00 H new ATOM 0 HA SER A 6 40.657 -14.746 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 6 40.442 -15.724 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 6 38.893 -14.911 -6.088 1.00 0.00 H new ATOM 0 HG SER A 6 40.568 -13.507 -6.867 1.00 0.00 H new ATOM 61 N GLY A 7 38.609 -13.987 -2.522 1.00 0.00 N ATOM 62 CA GLY A 7 37.416 -13.462 -1.886 1.00 0.00 C ATOM 63 C GLY A 7 37.514 -13.468 -0.373 1.00 0.00 C ATOM 64 O GLY A 7 38.251 -14.267 0.205 1.00 0.00 O ATOM 0 H GLY A 7 39.486 -13.713 -2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.243 -12.443 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.554 -14.054 -2.193 1.00 0.00 H new ATOM 68 N LYS A 8 36.769 -12.575 0.269 1.00 0.00 N ATOM 69 CA LYS A 8 36.774 -12.480 1.724 1.00 0.00 C ATOM 70 C LYS A 8 35.379 -12.164 2.254 1.00 0.00 C ATOM 71 O LYS A 8 35.052 -11.007 2.521 1.00 0.00 O ATOM 72 CB LYS A 8 37.763 -11.407 2.183 1.00 0.00 C ATOM 73 CG LYS A 8 39.143 -11.953 2.513 1.00 0.00 C ATOM 74 CD LYS A 8 40.242 -11.006 2.061 1.00 0.00 C ATOM 75 CE LYS A 8 41.467 -11.764 1.574 1.00 0.00 C ATOM 76 NZ LYS A 8 42.224 -10.996 0.547 1.00 0.00 N ATOM 0 H LYS A 8 36.154 -11.907 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 8 37.085 -13.445 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 8 37.857 -10.653 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 8 37.360 -10.905 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 8 39.223 -12.117 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 8 39.276 -12.922 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 8 39.867 -10.367 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 8 40.522 -10.352 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 8 42.120 -11.980 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 8 41.158 -12.722 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 43.051 -11.547 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 41.609 -10.811 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 42.541 -10.092 0.953 1.00 0.00 H new ATOM 90 N SER A 9 34.559 -13.199 2.402 1.00 0.00 N ATOM 91 CA SER A 9 33.198 -13.032 2.900 1.00 0.00 C ATOM 92 C SER A 9 32.743 -14.270 3.670 1.00 0.00 C ATOM 93 O SER A 9 32.151 -15.184 3.096 1.00 0.00 O ATOM 94 CB SER A 9 32.240 -12.758 1.741 1.00 0.00 C ATOM 95 OG SER A 9 31.122 -11.999 2.170 1.00 0.00 O ATOM 0 H SER A 9 34.813 -14.163 2.184 1.00 0.00 H new ATOM 0 HA SER A 9 33.189 -12.180 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 9 32.765 -12.222 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 9 31.900 -13.702 1.315 1.00 0.00 H new ATOM 0 HG SER A 9 30.526 -11.836 1.409 1.00 0.00 H new ATOM 101 N PRO A 10 33.016 -14.316 4.986 1.00 0.00 N ATOM 102 CA PRO A 10 32.630 -15.450 5.833 1.00 0.00 C ATOM 103 C PRO A 10 31.120 -15.544 6.022 1.00 0.00 C ATOM 104 O PRO A 10 30.578 -16.629 6.233 1.00 0.00 O ATOM 105 CB PRO A 10 33.320 -15.150 7.166 1.00 0.00 C ATOM 106 CG PRO A 10 33.493 -13.671 7.180 1.00 0.00 C ATOM 107 CD PRO A 10 33.719 -13.268 5.749 1.00 0.00 C ATOM 0 HA PRO A 10 32.921 -16.404 5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 10 32.716 -15.486 8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 10 34.280 -15.661 7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 10 32.611 -13.179 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 10 34.338 -13.383 7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 10 33.313 -12.278 5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 10 34.780 -13.235 5.503 1.00 0.00 H new ATOM 115 N SER A 11 30.447 -14.402 5.946 1.00 0.00 N ATOM 116 CA SER A 11 28.999 -14.355 6.109 1.00 0.00 C ATOM 117 C SER A 11 28.293 -14.721 4.807 1.00 0.00 C ATOM 118 O SER A 11 28.581 -14.153 3.753 1.00 0.00 O ATOM 119 CB SER A 11 28.560 -12.963 6.567 1.00 0.00 C ATOM 120 OG SER A 11 28.624 -12.031 5.501 1.00 0.00 O ATOM 0 H SER A 11 30.881 -13.496 5.772 1.00 0.00 H new ATOM 0 HA SER A 11 28.721 -15.084 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 11 27.542 -13.008 6.954 1.00 0.00 H new ATOM 0 HB3 SER A 11 29.197 -12.628 7.385 1.00 0.00 H new ATOM 0 HG SER A 11 28.579 -12.508 4.646 1.00 0.00 H new ATOM 126 N SER A 12 27.369 -15.673 4.887 1.00 0.00 N ATOM 127 CA SER A 12 26.623 -16.115 3.714 1.00 0.00 C ATOM 128 C SER A 12 25.530 -15.111 3.354 1.00 0.00 C ATOM 129 O SER A 12 24.997 -14.421 4.224 1.00 0.00 O ATOM 130 CB SER A 12 26.004 -17.491 3.967 1.00 0.00 C ATOM 131 OG SER A 12 26.906 -18.527 3.623 1.00 0.00 O ATOM 0 H SER A 12 27.119 -16.153 5.751 1.00 0.00 H new ATOM 0 HA SER A 12 27.318 -16.185 2.877 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.726 -17.581 5.017 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.088 -17.594 3.385 1.00 0.00 H new ATOM 0 HG SER A 12 26.487 -19.396 3.796 1.00 0.00 H new ATOM 137 N PRO A 13 25.180 -15.014 2.059 1.00 0.00 N ATOM 138 CA PRO A 13 24.146 -14.088 1.587 1.00 0.00 C ATOM 139 C PRO A 13 22.841 -14.236 2.362 1.00 0.00 C ATOM 140 O PRO A 13 22.289 -13.255 2.862 1.00 0.00 O ATOM 141 CB PRO A 13 23.947 -14.490 0.124 1.00 0.00 C ATOM 142 CG PRO A 13 25.238 -15.116 -0.276 1.00 0.00 C ATOM 143 CD PRO A 13 25.765 -15.799 0.955 1.00 0.00 C ATOM 0 HA PRO A 13 24.441 -13.047 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 13 23.118 -15.189 0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 13 23.718 -13.624 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.091 -15.830 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.941 -14.365 -0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.457 -16.844 0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.854 -15.786 0.986 1.00 0.00 H new ATOM 151 N SER A 14 22.351 -15.467 2.459 1.00 0.00 N ATOM 152 CA SER A 14 21.111 -15.744 3.173 1.00 0.00 C ATOM 153 C SER A 14 21.253 -16.984 4.049 1.00 0.00 C ATOM 154 O SER A 14 22.244 -17.708 3.961 1.00 0.00 O ATOM 155 CB SER A 14 19.960 -15.934 2.184 1.00 0.00 C ATOM 156 OG SER A 14 19.277 -14.713 1.955 1.00 0.00 O ATOM 0 H SER A 14 22.795 -16.290 2.051 1.00 0.00 H new ATOM 0 HA SER A 14 20.892 -14.891 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 14 20.347 -16.320 1.241 1.00 0.00 H new ATOM 0 HB3 SER A 14 19.263 -16.677 2.571 1.00 0.00 H new ATOM 0 HG SER A 14 18.547 -14.861 1.318 1.00 0.00 H new ATOM 162 N LEU A 15 20.255 -17.223 4.895 1.00 0.00 N ATOM 163 CA LEU A 15 20.270 -18.376 5.787 1.00 0.00 C ATOM 164 C LEU A 15 18.873 -18.658 6.333 1.00 0.00 C ATOM 165 O LEU A 15 18.720 -19.111 7.467 1.00 0.00 O ATOM 166 CB LEU A 15 21.249 -18.141 6.941 1.00 0.00 C ATOM 167 CG LEU A 15 22.329 -19.212 7.101 1.00 0.00 C ATOM 168 CD1 LEU A 15 23.263 -18.862 8.250 1.00 0.00 C ATOM 169 CD2 LEU A 15 21.695 -20.577 7.326 1.00 0.00 C ATOM 0 H LEU A 15 19.427 -16.634 4.981 1.00 0.00 H new ATOM 0 HA LEU A 15 20.598 -19.245 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.734 -17.176 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 15 20.683 -18.076 7.870 1.00 0.00 H new ATOM 0 HG LEU A 15 22.915 -19.250 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.025 -19.636 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.743 -17.904 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 15 22.692 -18.795 9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 15 22.477 -21.328 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.086 -20.551 8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 15 21.067 -20.832 6.472 1.00 0.00 H new ATOM 181 N GLY A 16 17.859 -18.387 5.518 1.00 0.00 N ATOM 182 CA GLY A 16 16.488 -18.618 5.936 1.00 0.00 C ATOM 183 C GLY A 16 15.639 -17.364 5.858 1.00 0.00 C ATOM 184 O GLY A 16 14.824 -17.103 6.743 1.00 0.00 O ATOM 0 H GLY A 16 17.962 -18.011 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.046 -19.392 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 16 16.482 -18.994 6.959 1.00 0.00 H new ATOM 188 N SER A 17 15.831 -16.586 4.798 1.00 0.00 N ATOM 189 CA SER A 17 15.078 -15.352 4.608 1.00 0.00 C ATOM 190 C SER A 17 13.690 -15.644 4.046 1.00 0.00 C ATOM 191 O SER A 17 12.699 -15.060 4.483 1.00 0.00 O ATOM 192 CB SER A 17 15.833 -14.409 3.669 1.00 0.00 C ATOM 193 OG SER A 17 16.648 -13.508 4.399 1.00 0.00 O ATOM 0 H SER A 17 16.502 -16.788 4.057 1.00 0.00 H new ATOM 0 HA SER A 17 14.964 -14.871 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.451 -14.990 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.122 -13.850 3.061 1.00 0.00 H new ATOM 0 HG SER A 17 17.121 -12.917 3.777 1.00 0.00 H new ATOM 199 N LEU A 18 13.628 -16.550 3.076 1.00 0.00 N ATOM 200 CA LEU A 18 12.362 -16.918 2.455 1.00 0.00 C ATOM 201 C LEU A 18 11.955 -18.335 2.848 1.00 0.00 C ATOM 202 O LEU A 18 11.433 -19.092 2.030 1.00 0.00 O ATOM 203 CB LEU A 18 12.466 -16.808 0.931 1.00 0.00 C ATOM 204 CG LEU A 18 11.224 -16.250 0.235 1.00 0.00 C ATOM 205 CD1 LEU A 18 11.341 -14.743 0.060 1.00 0.00 C ATOM 206 CD2 LEU A 18 11.015 -16.929 -1.111 1.00 0.00 C ATOM 0 H LEU A 18 14.440 -17.043 2.703 1.00 0.00 H new ATOM 0 HA LEU A 18 11.597 -16.228 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.317 -16.173 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.678 -17.797 0.524 1.00 0.00 H new ATOM 0 HG LEU A 18 10.357 -16.457 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.448 -14.364 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.441 -14.270 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.218 -14.514 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.127 -16.519 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 18 11.884 -16.754 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.885 -18.001 -0.961 1.00 0.00 H new ATOM 218 N GLN A 19 12.197 -18.686 4.107 1.00 0.00 N ATOM 219 CA GLN A 19 11.856 -20.012 4.609 1.00 0.00 C ATOM 220 C GLN A 19 10.517 -19.989 5.339 1.00 0.00 C ATOM 221 O GLN A 19 10.411 -19.465 6.447 1.00 0.00 O ATOM 222 CB GLN A 19 12.956 -20.525 5.543 1.00 0.00 C ATOM 223 CG GLN A 19 13.638 -21.787 5.043 1.00 0.00 C ATOM 224 CD GLN A 19 13.939 -22.768 6.159 1.00 0.00 C ATOM 225 OE1 GLN A 19 15.100 -23.024 6.481 1.00 0.00 O ATOM 226 NE2 GLN A 19 12.892 -23.325 6.755 1.00 0.00 N ATOM 0 H GLN A 19 12.628 -18.071 4.798 1.00 0.00 H new ATOM 0 HA GLN A 19 11.771 -20.687 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.705 -19.744 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.526 -20.719 6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.002 -22.270 4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.567 -21.519 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.947 -23.084 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.032 -23.994 7.512 1.00 0.00 H new ATOM 235 N GLN A 20 9.497 -20.564 4.709 1.00 0.00 N ATOM 236 CA GLN A 20 8.163 -20.612 5.298 1.00 0.00 C ATOM 237 C GLN A 20 7.627 -19.205 5.548 1.00 0.00 C ATOM 238 O GLN A 20 6.879 -18.975 6.499 1.00 0.00 O ATOM 239 CB GLN A 20 8.190 -21.401 6.608 1.00 0.00 C ATOM 240 CG GLN A 20 8.001 -22.898 6.420 1.00 0.00 C ATOM 241 CD GLN A 20 6.613 -23.364 6.813 1.00 0.00 C ATOM 242 OE1 GLN A 20 5.610 -22.771 6.416 1.00 0.00 O ATOM 243 NE2 GLN A 20 6.549 -24.433 7.599 1.00 0.00 N ATOM 0 H GLN A 20 9.569 -21.003 3.791 1.00 0.00 H new ATOM 0 HA GLN A 20 7.499 -21.113 4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.141 -21.223 7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.407 -21.024 7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.185 -23.156 5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.742 -23.432 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.406 -24.894 7.904 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.643 -24.793 7.897 1.00 0.00 H new ATOM 252 N ARG A 21 8.014 -18.270 4.688 1.00 0.00 N ATOM 253 CA ARG A 21 7.571 -16.886 4.814 1.00 0.00 C ATOM 254 C ARG A 21 7.881 -16.098 3.546 1.00 0.00 C ATOM 255 O ARG A 21 8.595 -16.578 2.665 1.00 0.00 O ATOM 256 CB ARG A 21 8.239 -16.221 6.019 1.00 0.00 C ATOM 257 CG ARG A 21 7.337 -15.241 6.751 1.00 0.00 C ATOM 258 CD ARG A 21 8.067 -13.949 7.083 1.00 0.00 C ATOM 259 NE ARG A 21 9.355 -14.197 7.727 1.00 0.00 N ATOM 260 CZ ARG A 21 10.120 -13.241 8.247 1.00 0.00 C ATOM 261 NH1 ARG A 21 9.732 -11.973 8.202 1.00 0.00 N ATOM 262 NH2 ARG A 21 11.278 -13.554 8.813 1.00 0.00 N ATOM 0 H ARG A 21 8.633 -18.445 3.896 1.00 0.00 H new ATOM 0 HA ARG A 21 6.491 -16.889 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.563 -16.994 6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.134 -15.697 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.465 -15.019 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.971 -15.699 7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.223 -13.376 6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.445 -13.340 7.739 1.00 0.00 H new ATOM 0 HE ARG A 21 9.687 -15.160 7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.843 -11.727 7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.323 -11.244 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.581 -14.527 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.865 -12.822 9.212 1.00 0.00 H new ATOM 276 N GLU A 22 7.342 -14.887 3.460 1.00 0.00 N ATOM 277 CA GLU A 22 7.561 -14.032 2.300 1.00 0.00 C ATOM 278 C GLU A 22 8.414 -12.822 2.669 1.00 0.00 C ATOM 279 O GLU A 22 8.602 -12.519 3.846 1.00 0.00 O ATOM 280 CB GLU A 22 6.224 -13.571 1.719 1.00 0.00 C ATOM 281 CG GLU A 22 6.268 -13.316 0.220 1.00 0.00 C ATOM 282 CD GLU A 22 5.331 -14.222 -0.556 1.00 0.00 C ATOM 283 OE1 GLU A 22 5.216 -15.410 -0.191 1.00 0.00 O ATOM 284 OE2 GLU A 22 4.711 -13.741 -1.528 1.00 0.00 O ATOM 0 H GLU A 22 6.750 -14.475 4.181 1.00 0.00 H new ATOM 0 HA GLU A 22 8.094 -14.613 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.466 -14.326 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.913 -12.658 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.006 -12.276 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.287 -13.461 -0.139 1.00 0.00 H new ATOM 291 N GLY A 23 8.924 -12.133 1.653 1.00 0.00 N ATOM 292 CA GLY A 23 9.748 -10.963 1.891 1.00 0.00 C ATOM 293 C GLY A 23 9.084 -9.681 1.429 1.00 0.00 C ATOM 294 O GLY A 23 8.897 -9.468 0.231 1.00 0.00 O ATOM 0 H GLY A 23 8.781 -12.364 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.970 -10.890 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.700 -11.082 1.374 1.00 0.00 H new ATOM 298 N ALA A 24 8.728 -8.826 2.381 1.00 0.00 N ATOM 299 CA ALA A 24 8.082 -7.557 2.066 1.00 0.00 C ATOM 300 C ALA A 24 9.113 -6.462 1.820 1.00 0.00 C ATOM 301 O ALA A 24 10.092 -6.341 2.556 1.00 0.00 O ATOM 302 CB ALA A 24 7.137 -7.153 3.189 1.00 0.00 C ATOM 0 H ALA A 24 8.876 -8.988 3.377 1.00 0.00 H new ATOM 0 HA ALA A 24 7.506 -7.688 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.662 -6.204 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.373 -7.920 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.699 -7.045 4.117 1.00 0.00 H new ATOM 308 N LYS A 25 8.887 -5.667 0.779 1.00 0.00 N ATOM 309 CA LYS A 25 9.797 -4.582 0.436 1.00 0.00 C ATOM 310 C LYS A 25 9.377 -3.280 1.113 1.00 0.00 C ATOM 311 O LYS A 25 10.208 -2.563 1.671 1.00 0.00 O ATOM 312 CB LYS A 25 9.847 -4.392 -1.082 1.00 0.00 C ATOM 313 CG LYS A 25 11.258 -4.268 -1.634 1.00 0.00 C ATOM 314 CD LYS A 25 11.518 -5.273 -2.744 1.00 0.00 C ATOM 315 CE LYS A 25 11.660 -6.684 -2.196 1.00 0.00 C ATOM 316 NZ LYS A 25 10.383 -7.445 -2.280 1.00 0.00 N ATOM 0 H LYS A 25 8.082 -5.754 0.159 1.00 0.00 H new ATOM 0 HA LYS A 25 10.791 -4.849 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.351 -5.236 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.282 -3.498 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.413 -3.258 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.978 -4.420 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.700 -5.242 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.426 -4.997 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.435 -7.213 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.988 -6.639 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.589 -8.453 -2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.851 -7.329 -1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.816 -7.085 -3.074 1.00 0.00 H new ATOM 330 N ALA A 26 8.082 -2.982 1.061 1.00 0.00 N ATOM 331 CA ALA A 26 7.553 -1.768 1.669 1.00 0.00 C ATOM 332 C ALA A 26 6.729 -2.090 2.911 1.00 0.00 C ATOM 333 O ALA A 26 6.366 -3.243 3.146 1.00 0.00 O ATOM 334 CB ALA A 26 6.714 -0.996 0.661 1.00 0.00 C ATOM 0 H ALA A 26 7.381 -3.565 0.604 1.00 0.00 H new ATOM 0 HA ALA A 26 8.395 -1.147 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.325 -0.091 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.332 -0.725 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.883 -1.618 0.327 1.00 0.00 H new ATOM 340 N GLU A 27 6.435 -1.064 3.704 1.00 0.00 N ATOM 341 CA GLU A 27 5.653 -1.237 4.923 1.00 0.00 C ATOM 342 C GLU A 27 4.438 -0.315 4.925 1.00 0.00 C ATOM 343 O GLU A 27 4.335 0.595 4.103 1.00 0.00 O ATOM 344 CB GLU A 27 6.520 -0.962 6.152 1.00 0.00 C ATOM 345 CG GLU A 27 7.813 -1.761 6.177 1.00 0.00 C ATOM 346 CD GLU A 27 8.271 -2.085 7.585 1.00 0.00 C ATOM 347 OE1 GLU A 27 8.617 -1.143 8.329 1.00 0.00 O ATOM 348 OE2 GLU A 27 8.283 -3.282 7.944 1.00 0.00 O ATOM 0 H GLU A 27 6.727 -0.103 3.524 1.00 0.00 H new ATOM 0 HA GLU A 27 5.303 -2.269 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.759 0.101 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.945 -1.189 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.673 -2.689 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.594 -1.198 5.666 1.00 0.00 H new ATOM 355 N VAL A 28 3.519 -0.558 5.855 1.00 0.00 N ATOM 356 CA VAL A 28 2.311 0.249 5.964 1.00 0.00 C ATOM 357 C VAL A 28 2.631 1.649 6.480 1.00 0.00 C ATOM 358 O VAL A 28 2.817 1.853 7.679 1.00 0.00 O ATOM 359 CB VAL A 28 1.279 -0.406 6.902 1.00 0.00 C ATOM 360 CG1 VAL A 28 -0.032 0.368 6.882 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.052 -1.861 6.517 1.00 0.00 C ATOM 0 H VAL A 28 3.589 -1.308 6.543 1.00 0.00 H new ATOM 0 HA VAL A 28 1.887 0.320 4.962 1.00 0.00 H new ATOM 0 HB VAL A 28 1.674 -0.380 7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.747 -0.111 7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.145 1.392 7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.433 0.378 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.320 -2.306 7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.681 -1.913 5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.992 -2.408 6.590 1.00 0.00 H new ATOM 371 N GLY A 29 2.694 2.611 5.563 1.00 0.00 N ATOM 372 CA GLY A 29 2.992 3.979 5.944 1.00 0.00 C ATOM 373 C GLY A 29 4.288 4.481 5.338 1.00 0.00 C ATOM 374 O GLY A 29 5.057 5.182 5.995 1.00 0.00 O ATOM 0 H GLY A 29 2.544 2.467 4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.173 4.627 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.053 4.045 7.030 1.00 0.00 H new ATOM 378 N ASP A 30 4.531 4.119 4.083 1.00 0.00 N ATOM 379 CA ASP A 30 5.743 4.537 3.388 1.00 0.00 C ATOM 380 C ASP A 30 5.451 4.846 1.924 1.00 0.00 C ATOM 381 O ASP A 30 4.588 4.221 1.307 1.00 0.00 O ATOM 382 CB ASP A 30 6.815 3.449 3.488 1.00 0.00 C ATOM 383 CG ASP A 30 7.740 3.657 4.671 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.489 4.656 4.670 1.00 0.00 O ATOM 385 OD2 ASP A 30 7.717 2.820 5.597 1.00 0.00 O ATOM 0 H ASP A 30 3.905 3.537 3.526 1.00 0.00 H new ATOM 0 HA ASP A 30 6.111 5.445 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.333 2.475 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.402 3.435 2.569 1.00 0.00 H new ATOM 390 N GLN A 31 6.177 5.814 1.373 1.00 0.00 N ATOM 391 CA GLN A 31 5.996 6.206 -0.021 1.00 0.00 C ATOM 392 C GLN A 31 6.263 5.030 -0.955 1.00 0.00 C ATOM 393 O GLN A 31 7.232 4.291 -0.777 1.00 0.00 O ATOM 394 CB GLN A 31 6.924 7.371 -0.368 1.00 0.00 C ATOM 395 CG GLN A 31 6.439 8.713 0.156 1.00 0.00 C ATOM 396 CD GLN A 31 7.446 9.824 -0.069 1.00 0.00 C ATOM 397 OE1 GLN A 31 8.428 9.651 -0.790 1.00 0.00 O ATOM 398 NE2 GLN A 31 7.205 10.974 0.551 1.00 0.00 N ATOM 0 H GLN A 31 6.895 6.341 1.870 1.00 0.00 H new ATOM 0 HA GLN A 31 4.962 6.523 -0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.915 7.169 0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.030 7.430 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.501 8.973 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.229 8.628 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.378 11.073 1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.847 11.758 0.438 1.00 0.00 H new ATOM 407 N VAL A 32 5.399 4.864 -1.951 1.00 0.00 N ATOM 408 CA VAL A 32 5.543 3.778 -2.913 1.00 0.00 C ATOM 409 C VAL A 32 5.004 4.181 -4.282 1.00 0.00 C ATOM 410 O VAL A 32 4.250 5.145 -4.404 1.00 0.00 O ATOM 411 CB VAL A 32 4.812 2.509 -2.439 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.586 1.833 -1.318 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.396 2.841 -1.995 1.00 0.00 C ATOM 0 H VAL A 32 4.593 5.467 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 32 6.609 3.566 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 32 4.751 1.814 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.053 0.938 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.578 1.556 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.683 2.520 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.896 1.931 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.431 3.556 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.845 3.274 -2.830 1.00 0.00 H new ATOM 423 N LEU A 33 5.398 3.435 -5.309 1.00 0.00 N ATOM 424 CA LEU A 33 4.956 3.714 -6.670 1.00 0.00 C ATOM 425 C LEU A 33 4.425 2.449 -7.338 1.00 0.00 C ATOM 426 O LEU A 33 5.194 1.573 -7.733 1.00 0.00 O ATOM 427 CB LEU A 33 6.108 4.294 -7.493 1.00 0.00 C ATOM 428 CG LEU A 33 5.696 4.941 -8.817 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.814 6.153 -8.566 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.926 5.333 -9.622 1.00 0.00 C ATOM 0 H LEU A 33 6.022 2.633 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 33 4.149 4.445 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.628 5.038 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.822 3.498 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 33 5.124 4.214 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.531 6.600 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.917 5.845 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.361 6.884 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.615 5.792 -10.561 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.523 6.044 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.522 4.445 -9.832 1.00 0.00 H new ATOM 442 N VAL A 34 3.105 2.360 -7.459 1.00 0.00 N ATOM 443 CA VAL A 34 2.470 1.202 -8.078 1.00 0.00 C ATOM 444 C VAL A 34 2.673 1.202 -9.589 1.00 0.00 C ATOM 445 O VAL A 34 2.342 2.173 -10.270 1.00 0.00 O ATOM 446 CB VAL A 34 0.960 1.161 -7.775 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.353 -0.146 -8.261 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.709 1.353 -6.288 1.00 0.00 C ATOM 0 H VAL A 34 2.454 3.076 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 34 2.944 0.318 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 34 0.478 1.979 -8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.714 -0.157 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.500 -0.237 -9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.837 -0.982 -7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.363 1.321 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.203 0.558 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.107 2.318 -5.974 1.00 0.00 H new ATOM 458 N ALA A 35 3.221 0.107 -10.107 1.00 0.00 N ATOM 459 CA ALA A 35 3.468 -0.023 -11.538 1.00 0.00 C ATOM 460 C ALA A 35 4.356 1.108 -12.051 1.00 0.00 C ATOM 461 O ALA A 35 4.306 1.464 -13.228 1.00 0.00 O ATOM 462 CB ALA A 35 2.153 -0.048 -12.299 1.00 0.00 C ATOM 0 H ALA A 35 3.503 -0.704 -9.556 1.00 0.00 H new ATOM 0 HA ALA A 35 3.992 -0.964 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.352 -0.145 -13.366 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.554 -0.894 -11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.608 0.878 -12.115 1.00 0.00 H new ATOM 468 N GLY A 36 5.169 1.669 -11.160 1.00 0.00 N ATOM 469 CA GLY A 36 6.056 2.753 -11.544 1.00 0.00 C ATOM 470 C GLY A 36 5.313 3.927 -12.151 1.00 0.00 C ATOM 471 O GLY A 36 5.839 4.621 -13.020 1.00 0.00 O ATOM 0 H GLY A 36 5.229 1.393 -10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.610 3.092 -10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.789 2.382 -12.261 1.00 0.00 H new ATOM 475 N GLN A 37 4.085 4.148 -11.692 1.00 0.00 N ATOM 476 CA GLN A 37 3.268 5.247 -12.195 1.00 0.00 C ATOM 477 C GLN A 37 2.455 5.881 -11.072 1.00 0.00 C ATOM 478 O GLN A 37 2.679 7.035 -10.706 1.00 0.00 O ATOM 479 CB GLN A 37 2.333 4.749 -13.300 1.00 0.00 C ATOM 480 CG GLN A 37 3.064 4.226 -14.526 1.00 0.00 C ATOM 481 CD GLN A 37 2.121 3.880 -15.662 1.00 0.00 C ATOM 482 OE1 GLN A 37 2.352 4.254 -16.812 1.00 0.00 O ATOM 483 NE2 GLN A 37 1.051 3.161 -15.344 1.00 0.00 N ATOM 0 H GLN A 37 3.634 3.581 -10.974 1.00 0.00 H new ATOM 0 HA GLN A 37 3.935 6.004 -12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.700 3.957 -12.899 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.673 5.563 -13.600 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.778 4.976 -14.867 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.638 3.341 -14.252 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.899 2.873 -14.377 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.381 2.897 -16.066 1.00 0.00 H new ATOM 492 N LYS A 38 1.509 5.121 -10.530 1.00 0.00 N ATOM 493 CA LYS A 38 0.662 5.610 -9.449 1.00 0.00 C ATOM 494 C LYS A 38 1.443 5.694 -8.141 1.00 0.00 C ATOM 495 O LYS A 38 1.834 4.674 -7.573 1.00 0.00 O ATOM 496 CB LYS A 38 -0.553 4.699 -9.274 1.00 0.00 C ATOM 497 CG LYS A 38 -1.361 4.510 -10.547 1.00 0.00 C ATOM 498 CD LYS A 38 -2.113 5.776 -10.922 1.00 0.00 C ATOM 499 CE LYS A 38 -2.526 5.766 -12.386 1.00 0.00 C ATOM 500 NZ LYS A 38 -3.270 4.527 -12.744 1.00 0.00 N ATOM 0 H LYS A 38 1.310 4.164 -10.822 1.00 0.00 H new ATOM 0 HA LYS A 38 0.321 6.611 -9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.218 3.725 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.200 5.115 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.696 4.225 -11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.068 3.692 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.998 5.874 -10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.485 6.645 -10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.149 6.636 -12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.639 5.851 -13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.707 4.643 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.613 3.721 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.011 4.350 -12.036 1.00 0.00 H new ATOM 514 N GLN A 39 1.666 6.916 -7.669 1.00 0.00 N ATOM 515 CA GLN A 39 2.401 7.134 -6.428 1.00 0.00 C ATOM 516 C GLN A 39 1.449 7.219 -5.240 1.00 0.00 C ATOM 517 O GLN A 39 0.463 7.956 -5.272 1.00 0.00 O ATOM 518 CB GLN A 39 3.233 8.415 -6.522 1.00 0.00 C ATOM 519 CG GLN A 39 4.518 8.365 -5.711 1.00 0.00 C ATOM 520 CD GLN A 39 4.470 9.256 -4.485 1.00 0.00 C ATOM 521 OE1 GLN A 39 4.437 8.773 -3.353 1.00 0.00 O ATOM 522 NE2 GLN A 39 4.464 10.566 -4.705 1.00 0.00 N ATOM 0 H GLN A 39 1.348 7.770 -8.127 1.00 0.00 H new ATOM 0 HA GLN A 39 3.068 6.286 -6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.479 8.603 -7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.630 9.256 -6.181 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.708 7.337 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.354 8.667 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.492 10.923 -5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.431 11.215 -3.919 1.00 0.00 H new ATOM 531 N GLY A 40 1.749 6.459 -4.191 1.00 0.00 N ATOM 532 CA GLY A 40 0.910 6.464 -3.007 1.00 0.00 C ATOM 533 C GLY A 40 1.624 5.919 -1.786 1.00 0.00 C ATOM 534 O GLY A 40 2.837 5.715 -1.808 1.00 0.00 O ATOM 0 H GLY A 40 2.558 5.840 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.578 7.483 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.016 5.869 -3.197 1.00 0.00 H new ATOM 538 N ILE A 41 0.869 5.685 -0.718 1.00 0.00 N ATOM 539 CA ILE A 41 1.437 5.160 0.520 1.00 0.00 C ATOM 540 C ILE A 41 0.663 3.938 1.004 1.00 0.00 C ATOM 541 O ILE A 41 -0.568 3.950 1.052 1.00 0.00 O ATOM 542 CB ILE A 41 1.443 6.226 1.633 1.00 0.00 C ATOM 543 CG1 ILE A 41 2.087 7.519 1.130 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.177 5.707 2.860 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.516 8.767 1.769 1.00 0.00 C ATOM 0 H ILE A 41 -0.137 5.850 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 41 2.465 4.872 0.300 1.00 0.00 H new ATOM 0 HB ILE A 41 0.412 6.441 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.159 7.480 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.959 7.583 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.173 6.471 3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.679 4.811 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.206 5.466 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.019 9.645 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.449 8.830 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.668 8.726 2.848 1.00 0.00 H new ATOM 557 N VAL A 42 1.391 2.887 1.362 1.00 0.00 N ATOM 558 CA VAL A 42 0.773 1.657 1.844 1.00 0.00 C ATOM 559 C VAL A 42 -0.063 1.914 3.092 1.00 0.00 C ATOM 560 O VAL A 42 0.430 2.458 4.080 1.00 0.00 O ATOM 561 CB VAL A 42 1.830 0.583 2.160 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.164 -0.749 2.467 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.812 0.443 1.006 1.00 0.00 C ATOM 0 H VAL A 42 2.410 2.862 1.328 1.00 0.00 H new ATOM 0 HA VAL A 42 0.126 1.295 1.045 1.00 0.00 H new ATOM 0 HB VAL A 42 2.386 0.897 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.927 -1.495 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.506 -0.637 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.580 -1.071 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.551 -0.321 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.274 0.154 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.315 1.395 0.839 1.00 0.00 H new ATOM 573 N ARG A 43 -1.331 1.520 3.041 1.00 0.00 N ATOM 574 CA ARG A 43 -2.236 1.709 4.168 1.00 0.00 C ATOM 575 C ARG A 43 -2.591 0.371 4.811 1.00 0.00 C ATOM 576 O ARG A 43 -2.806 0.290 6.020 1.00 0.00 O ATOM 577 CB ARG A 43 -3.510 2.421 3.712 1.00 0.00 C ATOM 578 CG ARG A 43 -3.283 3.864 3.292 1.00 0.00 C ATOM 579 CD ARG A 43 -3.565 4.827 4.434 1.00 0.00 C ATOM 580 NE ARG A 43 -4.027 6.127 3.952 1.00 0.00 N ATOM 581 CZ ARG A 43 -4.212 7.185 4.737 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.976 7.103 6.041 1.00 0.00 N ATOM 583 NH2 ARG A 43 -4.635 8.330 4.217 1.00 0.00 N ATOM 0 H ARG A 43 -1.755 1.068 2.231 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.728 2.326 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.944 1.872 2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.239 2.397 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.254 3.989 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.927 4.103 2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.318 4.396 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.660 4.961 5.027 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.219 6.229 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.651 6.225 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.120 7.918 6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.818 8.399 3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.777 9.142 4.818 1.00 0.00 H new ATOM 597 N PHE A 44 -2.651 -0.675 3.993 1.00 0.00 N ATOM 598 CA PHE A 44 -2.980 -2.009 4.482 1.00 0.00 C ATOM 599 C PHE A 44 -2.199 -3.075 3.722 1.00 0.00 C ATOM 600 O PHE A 44 -2.405 -3.275 2.524 1.00 0.00 O ATOM 601 CB PHE A 44 -4.482 -2.268 4.347 1.00 0.00 C ATOM 602 CG PHE A 44 -4.912 -3.606 4.879 1.00 0.00 C ATOM 603 CD1 PHE A 44 -5.016 -3.824 6.242 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.209 -4.647 4.013 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.410 -5.053 6.734 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.605 -5.878 4.498 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.705 -6.082 5.861 1.00 0.00 C ATOM 0 H PHE A 44 -2.476 -0.625 2.989 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.702 -2.062 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.026 -1.485 4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.761 -2.198 3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.786 -3.023 6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.130 -4.494 2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.487 -5.209 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.836 -6.680 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.013 -7.044 6.243 1.00 0.00 H new ATOM 617 N TYR A 45 -1.301 -3.758 4.425 1.00 0.00 N ATOM 618 CA TYR A 45 -0.488 -4.805 3.817 1.00 0.00 C ATOM 619 C TYR A 45 -0.846 -6.172 4.387 1.00 0.00 C ATOM 620 O TYR A 45 -0.589 -6.455 5.557 1.00 0.00 O ATOM 621 CB TYR A 45 0.998 -4.519 4.042 1.00 0.00 C ATOM 622 CG TYR A 45 1.915 -5.545 3.416 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.773 -5.911 2.083 1.00 0.00 C ATOM 624 CD2 TYR A 45 2.922 -6.149 4.158 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.609 -6.848 1.507 1.00 0.00 C ATOM 626 CE2 TYR A 45 3.762 -7.088 3.589 1.00 0.00 C ATOM 627 CZ TYR A 45 3.601 -7.434 2.264 1.00 0.00 C ATOM 628 OH TYR A 45 4.435 -8.369 1.695 1.00 0.00 O ATOM 0 H TYR A 45 -1.118 -3.605 5.417 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.692 -4.814 2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.236 -3.536 3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.193 -4.476 5.114 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.996 -5.455 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.051 -5.881 5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.486 -7.120 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.540 -7.548 4.179 1.00 0.00 H new ATOM 0 HH TYR A 45 4.539 -8.176 0.740 1.00 0.00 H new ATOM 638 N GLY A 46 -1.443 -7.018 3.553 1.00 0.00 N ATOM 639 CA GLY A 46 -1.827 -8.346 3.991 1.00 0.00 C ATOM 640 C GLY A 46 -2.256 -9.236 2.841 1.00 0.00 C ATOM 641 O GLY A 46 -1.783 -9.079 1.717 1.00 0.00 O ATOM 0 H GLY A 46 -1.668 -6.806 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.989 -8.810 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.644 -8.266 4.709 1.00 0.00 H new ATOM 645 N LYS A 47 -3.154 -10.174 3.125 1.00 0.00 N ATOM 646 CA LYS A 47 -3.646 -11.094 2.106 1.00 0.00 C ATOM 647 C LYS A 47 -4.971 -10.607 1.528 1.00 0.00 C ATOM 648 O LYS A 47 -5.589 -9.684 2.059 1.00 0.00 O ATOM 649 CB LYS A 47 -3.818 -12.495 2.694 1.00 0.00 C ATOM 650 CG LYS A 47 -2.518 -13.108 3.195 1.00 0.00 C ATOM 651 CD LYS A 47 -2.007 -14.188 2.253 1.00 0.00 C ATOM 652 CE LYS A 47 -1.931 -15.542 2.943 1.00 0.00 C ATOM 653 NZ LYS A 47 -3.269 -16.189 3.044 1.00 0.00 N ATOM 0 H LYS A 47 -3.555 -10.317 4.052 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.911 -11.133 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.530 -12.449 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.250 -13.148 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.764 -12.328 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.674 -13.533 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.665 -14.257 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.020 -13.912 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.253 -16.193 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.511 -15.418 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.175 -17.109 3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.909 -15.579 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.659 -16.331 2.090 1.00 0.00 H new ATOM 667 N THR A 48 -5.402 -11.233 0.438 1.00 0.00 N ATOM 668 CA THR A 48 -6.654 -10.864 -0.211 1.00 0.00 C ATOM 669 C THR A 48 -7.494 -12.102 -0.514 1.00 0.00 C ATOM 670 O THR A 48 -7.077 -13.228 -0.248 1.00 0.00 O ATOM 671 CB THR A 48 -6.376 -10.093 -1.502 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.563 -10.855 -2.377 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.683 -8.767 -1.269 1.00 0.00 C ATOM 0 H THR A 48 -4.902 -11.999 -0.014 1.00 0.00 H new ATOM 0 HA THR A 48 -7.214 -10.225 0.471 1.00 0.00 H new ATOM 0 HB THR A 48 -7.355 -9.901 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.012 -11.700 -2.588 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.515 -8.271 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.308 -8.136 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.726 -8.938 -0.776 1.00 0.00 H new ATOM 681 N ASP A 49 -8.680 -11.883 -1.074 1.00 0.00 N ATOM 682 CA ASP A 49 -9.579 -12.980 -1.413 1.00 0.00 C ATOM 683 C ASP A 49 -9.732 -13.113 -2.926 1.00 0.00 C ATOM 684 O ASP A 49 -9.855 -14.218 -3.453 1.00 0.00 O ATOM 685 CB ASP A 49 -10.949 -12.762 -0.768 1.00 0.00 C ATOM 686 CG ASP A 49 -11.831 -13.992 -0.856 1.00 0.00 C ATOM 687 OD1 ASP A 49 -11.380 -15.078 -0.433 1.00 0.00 O ATOM 688 OD2 ASP A 49 -12.973 -13.870 -1.347 1.00 0.00 O ATOM 0 H ASP A 49 -9.040 -10.956 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.146 -13.903 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.815 -12.488 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.448 -11.925 -1.256 1.00 0.00 H new ATOM 693 N PHE A 50 -9.723 -11.978 -3.618 1.00 0.00 N ATOM 694 CA PHE A 50 -9.862 -11.968 -5.070 1.00 0.00 C ATOM 695 C PHE A 50 -8.700 -12.699 -5.734 1.00 0.00 C ATOM 696 O PHE A 50 -8.857 -13.296 -6.799 1.00 0.00 O ATOM 697 CB PHE A 50 -9.937 -10.530 -5.586 1.00 0.00 C ATOM 698 CG PHE A 50 -8.694 -9.730 -5.318 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.573 -9.878 -6.119 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.647 -8.830 -4.265 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.429 -9.143 -5.876 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.505 -8.092 -4.017 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.394 -8.249 -4.824 1.00 0.00 C ATOM 0 H PHE A 50 -9.621 -11.054 -3.197 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.786 -12.487 -5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.124 -10.547 -6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.788 -10.030 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.594 -10.576 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.512 -8.704 -3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.562 -9.267 -6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.481 -7.394 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.500 -7.674 -4.632 1.00 0.00 H new ATOM 713 N ALA A 51 -7.534 -12.649 -5.098 1.00 0.00 N ATOM 714 CA ALA A 51 -6.346 -13.307 -5.630 1.00 0.00 C ATOM 715 C ALA A 51 -5.394 -13.714 -4.508 1.00 0.00 C ATOM 716 O ALA A 51 -5.364 -13.087 -3.450 1.00 0.00 O ATOM 717 CB ALA A 51 -5.637 -12.396 -6.620 1.00 0.00 C ATOM 0 H ALA A 51 -7.386 -12.160 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.664 -14.212 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.752 -12.900 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.311 -12.159 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.339 -11.475 -6.118 1.00 0.00 H new ATOM 723 N PRO A 52 -4.600 -14.777 -4.726 1.00 0.00 N ATOM 724 CA PRO A 52 -3.643 -15.265 -3.728 1.00 0.00 C ATOM 725 C PRO A 52 -2.452 -14.328 -3.562 1.00 0.00 C ATOM 726 O PRO A 52 -2.395 -13.265 -4.181 1.00 0.00 O ATOM 727 CB PRO A 52 -3.191 -16.609 -4.301 1.00 0.00 C ATOM 728 CG PRO A 52 -3.375 -16.475 -5.772 1.00 0.00 C ATOM 729 CD PRO A 52 -4.572 -15.583 -5.962 1.00 0.00 C ATOM 0 HA PRO A 52 -4.088 -15.337 -2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.151 -16.817 -4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.786 -17.430 -3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.489 -16.043 -6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.537 -17.448 -6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.469 -14.956 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.488 -16.161 -6.085 1.00 0.00 H new ATOM 737 N GLY A 53 -1.503 -14.727 -2.722 1.00 0.00 N ATOM 738 CA GLY A 53 -0.327 -13.910 -2.489 1.00 0.00 C ATOM 739 C GLY A 53 -0.618 -12.710 -1.609 1.00 0.00 C ATOM 740 O GLY A 53 -1.740 -12.541 -1.130 1.00 0.00 O ATOM 0 H GLY A 53 -1.527 -15.602 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.448 -14.519 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.069 -13.568 -3.445 1.00 0.00 H new ATOM 744 N TYR A 54 0.394 -11.876 -1.396 1.00 0.00 N ATOM 745 CA TYR A 54 0.241 -10.686 -0.568 1.00 0.00 C ATOM 746 C TYR A 54 0.242 -9.423 -1.424 1.00 0.00 C ATOM 747 O TYR A 54 1.098 -9.250 -2.292 1.00 0.00 O ATOM 748 CB TYR A 54 1.362 -10.614 0.470 1.00 0.00 C ATOM 749 CG TYR A 54 1.313 -11.727 1.491 1.00 0.00 C ATOM 750 CD1 TYR A 54 1.515 -13.049 1.116 1.00 0.00 C ATOM 751 CD2 TYR A 54 1.065 -11.456 2.831 1.00 0.00 C ATOM 752 CE1 TYR A 54 1.470 -14.070 2.046 1.00 0.00 C ATOM 753 CE2 TYR A 54 1.019 -12.471 3.768 1.00 0.00 C ATOM 754 CZ TYR A 54 1.222 -13.776 3.371 1.00 0.00 C ATOM 755 OH TYR A 54 1.176 -14.789 4.300 1.00 0.00 O ATOM 0 H TYR A 54 1.328 -12.002 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.717 -10.753 -0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.323 -10.645 -0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.307 -9.656 0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.711 -13.283 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.906 -10.435 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.628 -15.093 1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.825 -12.243 4.806 1.00 0.00 H new ATOM 0 HH TYR A 54 0.992 -14.412 5.186 1.00 0.00 H new ATOM 765 N TRP A 55 -0.723 -8.544 -1.173 1.00 0.00 N ATOM 766 CA TRP A 55 -0.834 -7.296 -1.921 1.00 0.00 C ATOM 767 C TRP A 55 -0.726 -6.094 -0.990 1.00 0.00 C ATOM 768 O TRP A 55 -0.687 -6.242 0.231 1.00 0.00 O ATOM 769 CB TRP A 55 -2.160 -7.251 -2.682 1.00 0.00 C ATOM 770 CG TRP A 55 -2.361 -8.422 -3.595 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.463 -9.735 -3.233 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.481 -8.387 -5.021 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.640 -10.518 -4.348 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.655 -9.714 -5.458 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.459 -7.362 -5.972 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.805 -10.042 -6.803 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.609 -7.689 -7.306 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.781 -9.019 -7.711 1.00 0.00 C ATOM 0 H TRP A 55 -1.439 -8.672 -0.458 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.012 -7.253 -2.636 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.981 -7.213 -1.966 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.204 -6.332 -3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.412 -10.104 -2.219 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.743 -11.533 -4.350 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.327 -6.334 -5.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.936 -11.067 -7.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.593 -6.906 -8.049 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.897 -9.241 -8.761 1.00 0.00 H new ATOM 789 N TYR A 56 -0.675 -4.900 -1.575 1.00 0.00 N ATOM 790 CA TYR A 56 -0.569 -3.671 -0.798 1.00 0.00 C ATOM 791 C TYR A 56 -1.793 -2.785 -1.009 1.00 0.00 C ATOM 792 O TYR A 56 -2.164 -2.482 -2.142 1.00 0.00 O ATOM 793 CB TYR A 56 0.698 -2.907 -1.183 1.00 0.00 C ATOM 794 CG TYR A 56 1.976 -3.637 -0.833 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.316 -4.825 -1.465 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.842 -3.135 0.130 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.483 -5.495 -1.147 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.011 -3.798 0.454 1.00 0.00 C ATOM 799 CZ TYR A 56 4.326 -4.977 -0.187 1.00 0.00 C ATOM 800 OH TYR A 56 5.489 -5.640 0.133 1.00 0.00 O ATOM 0 H TYR A 56 -0.705 -4.759 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.516 -3.942 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.683 -2.712 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.694 -1.938 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.658 -5.233 -2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.598 -2.211 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.733 -6.419 -1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.674 -3.394 1.205 1.00 0.00 H new ATOM 0 HH TYR A 56 5.301 -6.322 0.811 1.00 0.00 H new ATOM 810 N GLY A 57 -2.416 -2.373 0.091 1.00 0.00 N ATOM 811 CA GLY A 57 -3.590 -1.527 0.005 1.00 0.00 C ATOM 812 C GLY A 57 -3.242 -0.051 0.022 1.00 0.00 C ATOM 813 O GLY A 57 -3.595 0.666 0.958 1.00 0.00 O ATOM 0 H GLY A 57 -2.128 -2.611 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.135 -1.758 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.257 -1.750 0.838 1.00 0.00 H new ATOM 817 N ILE A 58 -2.545 0.402 -1.015 1.00 0.00 N ATOM 818 CA ILE A 58 -2.147 1.801 -1.116 1.00 0.00 C ATOM 819 C ILE A 58 -3.347 2.694 -1.413 1.00 0.00 C ATOM 820 O ILE A 58 -4.214 2.339 -2.211 1.00 0.00 O ATOM 821 CB ILE A 58 -1.083 2.005 -2.212 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.072 1.021 -2.023 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.571 3.438 -2.196 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.917 0.834 -3.265 1.00 0.00 C ATOM 0 H ILE A 58 -2.244 -0.180 -1.797 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.721 2.079 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.543 1.815 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.708 1.372 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.331 0.055 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.180 3.565 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.400 4.123 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.125 3.654 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.717 0.123 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.294 0.453 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.349 1.791 -3.558 1.00 0.00 H new ATOM 836 N GLU A 59 -3.389 3.854 -0.765 1.00 0.00 N ATOM 837 CA GLU A 59 -4.483 4.798 -0.959 1.00 0.00 C ATOM 838 C GLU A 59 -4.013 6.019 -1.742 1.00 0.00 C ATOM 839 O GLU A 59 -3.231 6.828 -1.240 1.00 0.00 O ATOM 840 CB GLU A 59 -5.055 5.233 0.391 1.00 0.00 C ATOM 841 CG GLU A 59 -6.260 6.152 0.275 1.00 0.00 C ATOM 842 CD GLU A 59 -5.929 7.595 0.604 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.880 8.085 0.136 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.718 8.234 1.331 1.00 0.00 O ATOM 0 H GLU A 59 -2.678 4.162 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.264 4.299 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.338 4.347 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.276 5.740 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.658 6.097 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.045 5.802 0.945 1.00 0.00 H new ATOM 851 N LEU A 60 -4.493 6.149 -2.974 1.00 0.00 N ATOM 852 CA LEU A 60 -4.120 7.273 -3.826 1.00 0.00 C ATOM 853 C LEU A 60 -4.605 8.590 -3.230 1.00 0.00 C ATOM 854 O LEU A 60 -5.406 8.603 -2.295 1.00 0.00 O ATOM 855 CB LEU A 60 -4.699 7.092 -5.230 1.00 0.00 C ATOM 856 CG LEU A 60 -3.996 6.041 -6.090 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.813 5.739 -7.338 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.599 6.511 -6.467 1.00 0.00 C ATOM 0 H LEU A 60 -5.141 5.490 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.032 7.302 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.751 6.821 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.659 8.050 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.906 5.123 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.297 4.989 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.793 5.361 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.934 6.651 -7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.112 5.751 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.668 7.442 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.014 6.677 -5.562 1.00 0.00 H new ATOM 870 N ASP A 61 -4.115 9.697 -3.779 1.00 0.00 N ATOM 871 CA ASP A 61 -4.498 11.020 -3.302 1.00 0.00 C ATOM 872 C ASP A 61 -5.617 11.607 -4.160 1.00 0.00 C ATOM 873 O ASP A 61 -6.394 12.440 -3.696 1.00 0.00 O ATOM 874 CB ASP A 61 -3.287 11.957 -3.309 1.00 0.00 C ATOM 875 CG ASP A 61 -2.718 12.175 -1.921 1.00 0.00 C ATOM 876 OD1 ASP A 61 -2.050 11.256 -1.401 1.00 0.00 O ATOM 877 OD2 ASP A 61 -2.941 13.264 -1.353 1.00 0.00 O ATOM 0 H ASP A 61 -3.452 9.704 -4.554 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.865 10.919 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.513 11.542 -3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.576 12.918 -3.735 1.00 0.00 H new ATOM 882 N GLN A 62 -5.692 11.169 -5.413 1.00 0.00 N ATOM 883 CA GLN A 62 -6.715 11.655 -6.332 1.00 0.00 C ATOM 884 C GLN A 62 -7.526 10.496 -6.907 1.00 0.00 C ATOM 885 O GLN A 62 -7.029 9.375 -7.020 1.00 0.00 O ATOM 886 CB GLN A 62 -6.073 12.455 -7.467 1.00 0.00 C ATOM 887 CG GLN A 62 -5.790 13.904 -7.104 1.00 0.00 C ATOM 888 CD GLN A 62 -7.056 14.713 -6.905 1.00 0.00 C ATOM 889 OE1 GLN A 62 -7.917 14.766 -7.783 1.00 0.00 O ATOM 890 NE2 GLN A 62 -7.177 15.348 -5.745 1.00 0.00 N ATOM 0 H GLN A 62 -5.057 10.479 -5.815 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.389 12.305 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.140 11.973 -7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.730 12.428 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.195 13.936 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.191 14.362 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.439 15.277 -5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.008 15.907 -5.554 1.00 0.00 H new ATOM 899 N PRO A 63 -8.793 10.752 -7.281 1.00 0.00 N ATOM 900 CA PRO A 63 -9.673 9.723 -7.848 1.00 0.00 C ATOM 901 C PRO A 63 -9.092 9.097 -9.111 1.00 0.00 C ATOM 902 O PRO A 63 -9.297 9.600 -10.216 1.00 0.00 O ATOM 903 CB PRO A 63 -10.961 10.486 -8.177 1.00 0.00 C ATOM 904 CG PRO A 63 -10.918 11.705 -7.321 1.00 0.00 C ATOM 905 CD PRO A 63 -9.466 12.058 -7.180 1.00 0.00 C ATOM 0 HA PRO A 63 -9.821 8.893 -7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.005 10.748 -9.234 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.843 9.883 -7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.476 12.523 -7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.370 11.515 -6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.139 12.741 -7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.260 12.545 -6.227 1.00 0.00 H new ATOM 913 N THR A 64 -8.366 7.995 -8.942 1.00 0.00 N ATOM 914 CA THR A 64 -7.759 7.301 -10.070 1.00 0.00 C ATOM 915 C THR A 64 -7.290 5.907 -9.664 1.00 0.00 C ATOM 916 O THR A 64 -6.254 5.429 -10.129 1.00 0.00 O ATOM 917 CB THR A 64 -6.582 8.109 -10.623 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.079 7.517 -11.807 1.00 0.00 O ATOM 919 CG2 THR A 64 -5.429 8.235 -9.649 1.00 0.00 C ATOM 0 H THR A 64 -8.185 7.565 -8.035 1.00 0.00 H new ATOM 0 HA THR A 64 -8.515 7.197 -10.848 1.00 0.00 H new ATOM 0 HB THR A 64 -6.983 9.104 -10.817 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.009 6.547 -11.684 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.630 8.819 -10.105 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.771 8.734 -8.743 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.055 7.243 -9.397 1.00 0.00 H new ATOM 927 N GLY A 65 -8.057 5.260 -8.794 1.00 0.00 N ATOM 928 CA GLY A 65 -7.704 3.928 -8.340 1.00 0.00 C ATOM 929 C GLY A 65 -8.468 2.844 -9.076 1.00 0.00 C ATOM 930 O GLY A 65 -8.678 2.935 -10.285 1.00 0.00 O ATOM 0 H GLY A 65 -8.918 5.634 -8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.634 3.772 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.903 3.847 -7.271 1.00 0.00 H new ATOM 934 N LYS A 66 -8.887 1.818 -8.344 1.00 0.00 N ATOM 935 CA LYS A 66 -9.633 0.712 -8.934 1.00 0.00 C ATOM 936 C LYS A 66 -10.869 0.386 -8.103 1.00 0.00 C ATOM 937 O LYS A 66 -11.964 0.219 -8.640 1.00 0.00 O ATOM 938 CB LYS A 66 -8.741 -0.527 -9.054 1.00 0.00 C ATOM 939 CG LYS A 66 -8.181 -0.738 -10.452 1.00 0.00 C ATOM 940 CD LYS A 66 -6.781 -1.328 -10.407 1.00 0.00 C ATOM 941 CE LYS A 66 -6.487 -2.160 -11.644 1.00 0.00 C ATOM 942 NZ LYS A 66 -7.418 -3.316 -11.771 1.00 0.00 N ATOM 0 H LYS A 66 -8.723 1.729 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.957 1.015 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.914 -0.439 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.315 -1.407 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.839 -1.402 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.159 0.213 -10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.049 -0.525 -10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.675 -1.948 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.566 -1.532 -12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.460 -2.524 -11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.946 -4.087 -12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.690 -3.648 -10.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.269 -3.021 -12.292 1.00 0.00 H new ATOM 956 N HIS A 67 -10.687 0.297 -6.789 1.00 0.00 N ATOM 957 CA HIS A 67 -11.788 -0.007 -5.883 1.00 0.00 C ATOM 958 C HIS A 67 -11.878 1.030 -4.768 1.00 0.00 C ATOM 959 O HIS A 67 -11.027 1.912 -4.659 1.00 0.00 O ATOM 960 CB HIS A 67 -11.611 -1.404 -5.283 1.00 0.00 C ATOM 961 CG HIS A 67 -10.272 -1.618 -4.649 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.032 -1.491 -3.299 1.00 0.00 N ATOM 963 CD2 HIS A 67 -9.083 -1.961 -5.209 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.736 -1.753 -3.085 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.115 -2.044 -4.211 1.00 0.00 N ATOM 0 H HIS A 67 -9.787 0.431 -6.328 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.715 0.021 -6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.388 -1.571 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.756 -2.148 -6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.915 -2.141 -6.261 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.261 -1.729 -2.115 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.130 -2.281 -4.327 1.00 0.00 H new ATOM 973 N ASP A 68 -12.913 0.917 -3.943 1.00 0.00 N ATOM 974 CA ASP A 68 -13.114 1.845 -2.836 1.00 0.00 C ATOM 975 C ASP A 68 -12.602 1.251 -1.527 1.00 0.00 C ATOM 976 O ASP A 68 -13.297 1.268 -0.511 1.00 0.00 O ATOM 977 CB ASP A 68 -14.596 2.202 -2.706 1.00 0.00 C ATOM 978 CG ASP A 68 -14.984 3.386 -3.569 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.477 3.484 -4.706 1.00 0.00 O ATOM 980 OD2 ASP A 68 -15.795 4.217 -3.107 1.00 0.00 O ATOM 0 H ASP A 68 -13.626 0.192 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.547 2.752 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.200 1.339 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.823 2.426 -1.664 1.00 0.00 H new ATOM 985 N GLY A 69 -11.381 0.727 -1.560 1.00 0.00 N ATOM 986 CA GLY A 69 -10.796 0.135 -0.371 1.00 0.00 C ATOM 987 C GLY A 69 -11.215 -1.309 -0.176 1.00 0.00 C ATOM 988 O GLY A 69 -10.377 -2.210 -0.175 1.00 0.00 O ATOM 0 H GLY A 69 -10.786 0.702 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.709 0.189 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.090 0.717 0.503 1.00 0.00 H new ATOM 992 N SER A 70 -12.515 -1.528 -0.011 1.00 0.00 N ATOM 993 CA SER A 70 -13.045 -2.872 0.186 1.00 0.00 C ATOM 994 C SER A 70 -13.171 -3.606 -1.147 1.00 0.00 C ATOM 995 O SER A 70 -13.351 -2.984 -2.194 1.00 0.00 O ATOM 996 CB SER A 70 -14.407 -2.811 0.878 1.00 0.00 C ATOM 997 OG SER A 70 -15.288 -1.936 0.197 1.00 0.00 O ATOM 0 H SER A 70 -13.221 -0.792 -0.010 1.00 0.00 H new ATOM 0 HA SER A 70 -12.349 -3.421 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.842 -3.810 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.280 -2.475 1.907 1.00 0.00 H new ATOM 0 HG SER A 70 -16.152 -1.917 0.659 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.078 -4.931 -1.098 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.182 -5.748 -2.301 1.00 0.00 C ATOM 1005 C VAL A 71 -14.103 -6.942 -2.076 1.00 0.00 C ATOM 1006 O VAL A 71 -13.833 -7.796 -1.232 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.801 -6.259 -2.755 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.902 -6.937 -4.112 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.796 -5.116 -2.795 1.00 0.00 C ATOM 0 H VAL A 71 -12.931 -5.461 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.600 -5.111 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.451 -6.996 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.917 -7.291 -4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.587 -7.782 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.274 -6.224 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.826 -5.495 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.139 -4.354 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.702 -4.679 -1.801 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.191 -6.994 -2.837 1.00 0.00 N ATOM 1020 CA PHE A 72 -16.153 -8.085 -2.722 1.00 0.00 C ATOM 1021 C PHE A 72 -16.751 -8.137 -1.320 1.00 0.00 C ATOM 1022 O PHE A 72 -17.100 -9.207 -0.823 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.483 -9.420 -3.053 1.00 0.00 C ATOM 1024 CG PHE A 72 -15.285 -9.643 -4.525 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -16.364 -9.621 -5.394 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -14.020 -9.875 -5.040 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -16.186 -9.826 -6.748 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.835 -10.081 -6.394 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.919 -10.056 -7.250 1.00 0.00 C ATOM 0 H PHE A 72 -15.429 -6.294 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.958 -7.904 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.515 -9.465 -2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.089 -10.231 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.356 -9.441 -5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.169 -9.895 -4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -17.036 -9.807 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.844 -10.261 -6.783 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.777 -10.216 -8.309 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.864 -6.974 -0.686 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.420 -6.910 0.653 1.00 0.00 C ATOM 1041 C GLY A 73 -16.348 -6.851 1.723 1.00 0.00 C ATOM 1042 O GLY A 73 -16.566 -6.293 2.799 1.00 0.00 O ATOM 0 H GLY A 73 -16.580 -6.075 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.060 -6.032 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.051 -7.782 0.823 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.187 -7.427 1.428 1.00 0.00 N ATOM 1047 CA VAL A 74 -14.077 -7.438 2.372 1.00 0.00 C ATOM 1048 C VAL A 74 -13.428 -6.061 2.474 1.00 0.00 C ATOM 1049 O VAL A 74 -13.103 -5.441 1.462 1.00 0.00 O ATOM 1050 CB VAL A 74 -13.006 -8.468 1.968 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.958 -8.608 3.062 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.648 -9.812 1.659 1.00 0.00 C ATOM 0 H VAL A 74 -14.991 -7.892 0.542 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.490 -7.715 3.342 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.509 -8.112 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.210 -9.340 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.476 -7.645 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.436 -8.939 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.876 -10.527 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.173 -10.176 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.355 -9.697 0.838 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.241 -5.590 3.702 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.630 -4.287 3.935 1.00 0.00 C ATOM 1064 C ARG A 75 -11.126 -4.422 4.151 1.00 0.00 C ATOM 1065 O ARG A 75 -10.659 -5.393 4.747 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.272 -3.607 5.146 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.095 -2.097 5.159 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.601 -1.486 6.455 1.00 0.00 C ATOM 1069 NE ARG A 75 -13.338 -0.051 6.522 1.00 0.00 N ATOM 1070 CZ ARG A 75 -12.135 0.473 6.743 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -11.083 -0.317 6.922 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -11.982 1.789 6.784 1.00 0.00 N ATOM 0 H ARG A 75 -13.504 -6.091 4.551 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.798 -3.672 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.337 -3.840 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.841 -4.023 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.041 -1.852 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.631 -1.660 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.673 -1.663 6.545 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.124 -1.982 7.300 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.123 0.587 6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.195 -1.330 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.163 0.089 7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.787 2.401 6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.060 2.190 6.953 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.373 -3.442 3.662 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.921 -3.451 3.801 1.00 0.00 C ATOM 1088 C TYR A 76 -8.431 -2.169 4.466 1.00 0.00 C ATOM 1089 O TYR A 76 -7.587 -2.207 5.362 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.258 -3.615 2.432 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.618 -4.908 1.737 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.842 -5.057 1.097 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.733 -5.979 1.719 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -10.174 -6.238 0.461 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.059 -7.163 1.085 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.280 -7.287 0.458 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.607 -8.464 -0.175 1.00 0.00 O ATOM 0 H TYR A 76 -10.744 -2.632 3.166 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.646 -4.295 4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.545 -2.778 1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.176 -3.566 2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.545 -4.237 1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.775 -5.885 2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.130 -6.339 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.361 -7.987 1.081 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.792 -8.893 -0.509 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.965 -1.038 4.022 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.582 0.257 4.575 1.00 0.00 C ATOM 1109 C PHE A 77 -9.553 1.346 4.133 1.00 0.00 C ATOM 1110 O PHE A 77 -10.482 1.090 3.367 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.160 0.619 4.141 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.970 0.625 2.651 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.754 -0.557 1.962 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.010 1.813 1.939 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.579 -0.554 0.591 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.837 1.822 0.569 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.621 0.637 -0.107 1.00 0.00 C ATOM 0 H PHE A 77 -9.664 -0.990 3.281 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.616 0.185 5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.908 1.604 4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.462 -0.090 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.722 -1.492 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.178 2.743 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.410 -1.482 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.871 2.755 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.485 0.642 -1.178 1.00 0.00 H new ATOM 1127 N THR A 78 -9.332 2.562 4.621 1.00 0.00 N ATOM 1128 CA THR A 78 -10.188 3.691 4.278 1.00 0.00 C ATOM 1129 C THR A 78 -9.556 4.536 3.176 1.00 0.00 C ATOM 1130 O THR A 78 -8.422 4.997 3.308 1.00 0.00 O ATOM 1131 CB THR A 78 -10.449 4.554 5.512 1.00 0.00 C ATOM 1132 OG1 THR A 78 -11.057 5.780 5.148 1.00 0.00 O ATOM 1133 CG2 THR A 78 -9.192 4.878 6.292 1.00 0.00 C ATOM 0 H THR A 78 -8.567 2.791 5.256 1.00 0.00 H new ATOM 0 HA THR A 78 -11.137 3.298 3.912 1.00 0.00 H new ATOM 0 HB THR A 78 -11.108 3.960 6.146 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.217 6.317 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.448 5.493 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.726 3.953 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.497 5.422 5.652 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.297 4.736 2.091 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.808 5.527 0.967 1.00 0.00 C ATOM 1143 C CYS A 79 -10.964 6.197 0.231 1.00 0.00 C ATOM 1144 O CYS A 79 -12.099 5.722 0.274 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.017 4.643 0.002 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.969 3.273 -0.695 1.00 0.00 S ATOM 0 H CYS A 79 -11.238 4.362 1.966 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.151 6.304 1.358 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.640 5.261 -0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.149 4.240 0.524 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.542 3.659 -1.796 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.667 7.302 -0.443 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.681 8.038 -1.190 1.00 0.00 C ATOM 1154 C ALA A 80 -12.167 7.234 -2.393 1.00 0.00 C ATOM 1155 O ALA A 80 -11.554 6.237 -2.773 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.132 9.384 -1.638 1.00 0.00 C ATOM 0 H ALA A 80 -9.732 7.708 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.533 8.207 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.899 9.923 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.840 9.967 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.263 9.228 -2.277 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.282 7.661 -3.012 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.850 6.974 -4.177 1.00 0.00 C ATOM 1164 C PRO A 81 -12.822 6.763 -5.283 1.00 0.00 C ATOM 1165 O PRO A 81 -12.296 7.722 -5.847 1.00 0.00 O ATOM 1166 CB PRO A 81 -14.953 7.924 -4.649 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.335 8.695 -3.432 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.076 8.841 -2.624 1.00 0.00 C ATOM 0 HA PRO A 81 -14.208 5.976 -3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.596 8.584 -5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.803 7.374 -5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.743 9.670 -3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.105 8.172 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.555 9.770 -2.856 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.284 8.851 -1.554 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.540 5.500 -5.589 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.575 5.161 -6.628 1.00 0.00 C ATOM 1178 C ARG A 82 -10.179 5.659 -6.261 1.00 0.00 C ATOM 1179 O ARG A 82 -9.566 6.429 -7.001 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.014 5.753 -7.972 1.00 0.00 C ATOM 1181 CG ARG A 82 -11.954 4.761 -9.123 1.00 0.00 C ATOM 1182 CD ARG A 82 -12.129 5.453 -10.465 1.00 0.00 C ATOM 1183 NE ARG A 82 -13.479 5.284 -10.998 1.00 0.00 N ATOM 1184 CZ ARG A 82 -13.999 6.048 -11.955 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -13.288 7.034 -12.487 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -15.235 5.826 -12.381 1.00 0.00 N ATOM 0 H ARG A 82 -12.967 4.694 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.536 4.075 -6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.033 6.127 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.380 6.608 -8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -10.998 4.238 -9.104 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.732 4.008 -8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.913 6.516 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.406 5.053 -11.176 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.057 4.536 -10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.337 7.210 -12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.692 7.616 -13.220 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.786 5.070 -11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -15.634 6.411 -13.115 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.682 5.212 -5.111 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.359 5.611 -4.646 1.00 0.00 C ATOM 1202 C HIS A 83 -7.507 4.391 -4.315 1.00 0.00 C ATOM 1203 O HIS A 83 -6.347 4.303 -4.719 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.478 6.513 -3.415 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.695 7.956 -3.748 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.072 8.997 -3.097 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.488 8.525 -4.692 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.496 10.141 -3.650 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.356 9.910 -4.623 1.00 0.00 N ATOM 0 H HIS A 83 -10.175 4.575 -4.486 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.872 6.165 -5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.305 6.163 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.571 6.419 -2.817 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.406 8.912 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.120 7.990 -5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.175 11.124 -3.340 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.089 3.451 -3.577 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.368 2.249 -3.205 1.00 0.00 C ATOM 1219 C GLY A 84 -6.969 1.415 -4.407 1.00 0.00 C ATOM 1220 O GLY A 84 -7.743 1.262 -5.350 1.00 0.00 O ATOM 0 H GLY A 84 -9.047 3.501 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.474 2.524 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.988 1.648 -2.540 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.754 0.875 -4.371 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.252 0.053 -5.466 1.00 0.00 C ATOM 1226 C VAL A 85 -4.323 -1.041 -4.949 1.00 0.00 C ATOM 1227 O VAL A 85 -3.336 -0.762 -4.269 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.497 0.901 -6.506 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.474 1.704 -7.352 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.493 1.817 -5.822 1.00 0.00 C ATOM 0 H VAL A 85 -5.100 0.992 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.120 -0.404 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.949 0.229 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.922 2.297 -8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.148 1.024 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.053 2.367 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.969 2.408 -6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.017 2.483 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.773 1.217 -5.266 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.649 -2.287 -5.276 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.844 -3.425 -4.845 1.00 0.00 C ATOM 1242 C PHE A 86 -2.940 -3.911 -5.974 1.00 0.00 C ATOM 1243 O PHE A 86 -3.415 -4.287 -7.046 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.749 -4.566 -4.375 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.117 -4.481 -2.921 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.167 -4.711 -1.939 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.411 -4.171 -2.537 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.502 -4.633 -0.600 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.752 -4.091 -1.201 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.797 -4.323 -0.230 1.00 0.00 C ATOM 0 H PHE A 86 -5.464 -2.535 -5.837 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.216 -3.101 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.661 -4.565 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.248 -5.516 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.154 -4.954 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.162 -3.990 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.752 -4.814 0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.765 -3.847 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.062 -4.262 0.815 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.635 -3.900 -5.726 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.664 -4.340 -6.721 1.00 0.00 C ATOM 1262 C ALA A 87 0.469 -5.131 -6.073 1.00 0.00 C ATOM 1263 O ALA A 87 0.880 -4.835 -4.951 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.109 -3.144 -7.479 1.00 0.00 C ATOM 0 H ALA A 87 -1.225 -3.591 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.174 -4.998 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.615 -3.486 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.923 -2.622 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.380 -2.465 -6.780 1.00 0.00 H new ATOM 1270 N PRO A 88 0.993 -6.155 -6.771 1.00 0.00 N ATOM 1271 CA PRO A 88 2.083 -6.989 -6.253 1.00 0.00 C ATOM 1272 C PRO A 88 3.306 -6.164 -5.864 1.00 0.00 C ATOM 1273 O PRO A 88 3.659 -5.202 -6.542 1.00 0.00 O ATOM 1274 CB PRO A 88 2.419 -7.916 -7.424 1.00 0.00 C ATOM 1275 CG PRO A 88 1.187 -7.940 -8.260 1.00 0.00 C ATOM 1276 CD PRO A 88 0.564 -6.582 -8.117 1.00 0.00 C ATOM 0 HA PRO A 88 1.791 -7.518 -5.346 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.273 -7.544 -7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.679 -8.915 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.427 -8.152 -9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.503 -8.720 -7.925 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.914 -5.895 -8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.522 -6.626 -8.198 1.00 0.00 H new ATOM 1284 N ALA A 89 3.949 -6.550 -4.761 1.00 0.00 N ATOM 1285 CA ALA A 89 5.135 -5.849 -4.281 1.00 0.00 C ATOM 1286 C ALA A 89 6.115 -5.627 -5.423 1.00 0.00 C ATOM 1287 O ALA A 89 6.570 -4.509 -5.661 1.00 0.00 O ATOM 1288 CB ALA A 89 5.795 -6.631 -3.154 1.00 0.00 C ATOM 0 H ALA A 89 3.667 -7.344 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 89 4.831 -4.877 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.678 -6.094 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.092 -6.744 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.088 -7.616 -3.518 1.00 0.00 H new ATOM 1294 N SER A 90 6.418 -6.706 -6.141 1.00 0.00 N ATOM 1295 CA SER A 90 7.323 -6.632 -7.278 1.00 0.00 C ATOM 1296 C SER A 90 6.814 -5.596 -8.272 1.00 0.00 C ATOM 1297 O SER A 90 7.586 -5.023 -9.043 1.00 0.00 O ATOM 1298 CB SER A 90 7.445 -7.997 -7.957 1.00 0.00 C ATOM 1299 OG SER A 90 8.562 -8.716 -7.461 1.00 0.00 O ATOM 0 H SER A 90 6.049 -7.638 -5.954 1.00 0.00 H new ATOM 0 HA SER A 90 8.310 -6.336 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.535 -8.573 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.544 -7.863 -9.034 1.00 0.00 H new ATOM 0 HG SER A 90 8.617 -9.586 -7.910 1.00 0.00 H new ATOM 1305 N ARG A 91 5.505 -5.348 -8.234 1.00 0.00 N ATOM 1306 CA ARG A 91 4.889 -4.367 -9.113 1.00 0.00 C ATOM 1307 C ARG A 91 4.938 -2.978 -8.479 1.00 0.00 C ATOM 1308 O ARG A 91 4.735 -1.970 -9.157 1.00 0.00 O ATOM 1309 CB ARG A 91 3.440 -4.759 -9.415 1.00 0.00 C ATOM 1310 CG ARG A 91 3.212 -5.177 -10.859 1.00 0.00 C ATOM 1311 CD ARG A 91 1.992 -4.492 -11.455 1.00 0.00 C ATOM 1312 NE ARG A 91 1.398 -5.275 -12.536 1.00 0.00 N ATOM 1313 CZ ARG A 91 1.900 -5.338 -13.766 1.00 0.00 C ATOM 1314 NH1 ARG A 91 3.004 -4.670 -14.077 1.00 0.00 N ATOM 1315 NH2 ARG A 91 1.297 -6.072 -14.691 1.00 0.00 N ATOM 0 H ARG A 91 4.855 -5.815 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 91 5.447 -4.343 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.149 -5.579 -8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.788 -3.917 -9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.093 -4.933 -11.452 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.084 -6.258 -10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.249 -4.331 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.276 -3.510 -11.833 1.00 0.00 H new ATOM 0 HE ARG A 91 0.549 -5.804 -12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.473 -4.103 -13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.383 -4.723 -15.022 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.448 -6.588 -14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.682 -6.120 -15.634 1.00 0.00 H new ATOM 1329 N ILE A 92 5.211 -2.931 -7.175 1.00 0.00 N ATOM 1330 CA ILE A 92 5.288 -1.663 -6.458 1.00 0.00 C ATOM 1331 C ILE A 92 6.736 -1.284 -6.169 1.00 0.00 C ATOM 1332 O ILE A 92 7.579 -2.149 -5.932 1.00 0.00 O ATOM 1333 CB ILE A 92 4.507 -1.720 -5.130 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.089 -2.243 -5.367 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.468 -0.346 -4.479 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.386 -2.679 -4.101 1.00 0.00 C ATOM 0 H ILE A 92 5.382 -3.754 -6.597 1.00 0.00 H new ATOM 0 HA ILE A 92 4.839 -0.907 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 92 5.018 -2.406 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.499 -1.464 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.132 -3.085 -6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.913 -0.403 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.485 -0.009 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.978 0.360 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.386 -3.038 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.953 -3.480 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.311 -1.834 -3.417 1.00 0.00 H new ATOM 1348 N GLN A 93 7.019 0.014 -6.192 1.00 0.00 N ATOM 1349 CA GLN A 93 8.366 0.509 -5.933 1.00 0.00 C ATOM 1350 C GLN A 93 8.407 1.338 -4.652 1.00 0.00 C ATOM 1351 O GLN A 93 7.389 1.515 -3.984 1.00 0.00 O ATOM 1352 CB GLN A 93 8.859 1.348 -7.112 1.00 0.00 C ATOM 1353 CG GLN A 93 9.392 0.519 -8.269 1.00 0.00 C ATOM 1354 CD GLN A 93 8.302 0.103 -9.237 1.00 0.00 C ATOM 1355 OE1 GLN A 93 7.594 -0.877 -9.008 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.164 0.848 -10.328 1.00 0.00 N ATOM 0 H GLN A 93 6.333 0.743 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 93 9.023 -0.352 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.040 1.972 -7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.644 2.020 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.149 1.093 -8.804 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.884 -0.371 -7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.774 1.652 -10.477 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.448 0.616 -11.017 1.00 0.00 H new ATOM 1365 N ARG A 94 9.591 1.842 -4.318 1.00 0.00 N ATOM 1366 CA ARG A 94 9.765 2.651 -3.118 1.00 0.00 C ATOM 1367 C ARG A 94 10.413 3.992 -3.455 1.00 0.00 C ATOM 1368 O ARG A 94 11.285 4.072 -4.319 1.00 0.00 O ATOM 1369 CB ARG A 94 10.619 1.900 -2.093 1.00 0.00 C ATOM 1370 CG ARG A 94 9.941 1.733 -0.741 1.00 0.00 C ATOM 1371 CD ARG A 94 10.230 0.370 -0.134 1.00 0.00 C ATOM 1372 NE ARG A 94 10.762 0.476 1.223 1.00 0.00 N ATOM 1373 CZ ARG A 94 10.040 0.860 2.273 1.00 0.00 C ATOM 1374 NH1 ARG A 94 8.759 1.173 2.130 1.00 0.00 N ATOM 1375 NH2 ARG A 94 10.602 0.929 3.473 1.00 0.00 N ATOM 0 H ARG A 94 10.443 1.704 -4.861 1.00 0.00 H new ATOM 0 HA ARG A 94 8.781 2.842 -2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.866 0.916 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.559 2.434 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.284 2.514 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.864 1.860 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.315 -0.222 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.944 -0.163 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 94 11.743 0.242 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.321 1.120 1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.212 1.466 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.586 0.688 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.050 1.223 4.279 1.00 0.00 H new ATOM 1389 N ILE A 95 9.977 5.042 -2.766 1.00 0.00 N ATOM 1390 CA ILE A 95 10.514 6.380 -2.991 1.00 0.00 C ATOM 1391 C ILE A 95 11.201 6.915 -1.740 1.00 0.00 C ATOM 1392 O ILE A 95 12.229 7.588 -1.824 1.00 0.00 O ATOM 1393 CB ILE A 95 9.409 7.366 -3.417 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.570 6.771 -4.550 1.00 0.00 C ATOM 1395 CG2 ILE A 95 10.017 8.694 -3.840 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.249 6.199 -4.088 1.00 0.00 C ATOM 0 H ILE A 95 9.254 4.993 -2.048 1.00 0.00 H new ATOM 0 HA ILE A 95 11.245 6.295 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 95 8.755 7.545 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.381 7.543 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.144 5.986 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.223 9.379 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.572 9.122 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.692 8.534 -4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.708 5.795 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.430 5.404 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.655 6.985 -3.622 1.00 0.00 H new ATOM 1408 N GLY A 96 10.627 6.611 -0.581 1.00 0.00 N ATOM 1409 CA GLY A 96 11.198 7.071 0.673 1.00 0.00 C ATOM 1410 C GLY A 96 12.501 6.373 1.008 1.00 0.00 C ATOM 1411 O GLY A 96 12.577 5.618 1.977 1.00 0.00 O ATOM 0 H GLY A 96 9.777 6.055 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.369 8.146 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.482 6.903 1.478 1.00 0.00 H new ATOM 1415 N SER A 97 13.530 6.629 0.207 1.00 0.00 N ATOM 1416 CA SER A 97 14.838 6.021 0.423 1.00 0.00 C ATOM 1417 C SER A 97 15.903 7.091 0.640 1.00 0.00 C ATOM 1418 O SER A 97 15.649 8.281 0.454 1.00 0.00 O ATOM 1419 CB SER A 97 15.219 5.139 -0.768 1.00 0.00 C ATOM 1420 OG SER A 97 14.426 3.965 -0.808 1.00 0.00 O ATOM 0 H SER A 97 13.483 7.254 -0.598 1.00 0.00 H new ATOM 0 HA SER A 97 14.780 5.402 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 97 15.092 5.699 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 97 16.273 4.868 -0.701 1.00 0.00 H new ATOM 0 HG SER A 97 14.688 3.419 -1.579 1.00 0.00 H new ATOM 1426 N GLY A 98 17.098 6.661 1.034 1.00 0.00 N ATOM 1427 CA GLY A 98 18.181 7.596 1.269 1.00 0.00 C ATOM 1428 C GLY A 98 19.490 7.139 0.653 1.00 0.00 C ATOM 1429 O GLY A 98 20.469 6.918 1.367 1.00 0.00 O ATOM 0 H GLY A 98 17.335 5.682 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.911 8.569 0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.315 7.728 2.343 1.00 0.00 H new ATOM 1433 N PRO A 99 19.542 6.987 -0.681 1.00 0.00 N ATOM 1434 CA PRO A 99 20.756 6.550 -1.380 1.00 0.00 C ATOM 1435 C PRO A 99 21.942 7.472 -1.107 1.00 0.00 C ATOM 1436 O PRO A 99 23.080 7.017 -0.996 1.00 0.00 O ATOM 1437 CB PRO A 99 20.366 6.610 -2.861 1.00 0.00 C ATOM 1438 CG PRO A 99 18.878 6.542 -2.871 1.00 0.00 C ATOM 1439 CD PRO A 99 18.426 7.227 -1.613 1.00 0.00 C ATOM 0 HA PRO A 99 21.077 5.561 -1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 99 20.722 7.529 -3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.803 5.781 -3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.470 7.036 -3.753 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.534 5.508 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.256 8.292 -1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 99 17.492 6.808 -1.239 1.00 0.00 H new ATOM 1447 N SER A 100 21.664 8.767 -0.999 1.00 0.00 N ATOM 1448 CA SER A 100 22.706 9.753 -0.740 1.00 0.00 C ATOM 1449 C SER A 100 22.645 10.240 0.705 1.00 0.00 C ATOM 1450 O SER A 100 21.851 9.746 1.504 1.00 0.00 O ATOM 1451 CB SER A 100 22.564 10.938 -1.697 1.00 0.00 C ATOM 1452 OG SER A 100 21.224 11.084 -2.135 1.00 0.00 O ATOM 0 H SER A 100 20.726 9.158 -1.087 1.00 0.00 H new ATOM 0 HA SER A 100 23.673 9.277 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.889 11.852 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 100 23.217 10.794 -2.558 1.00 0.00 H new ATOM 0 HG SER A 100 21.160 11.849 -2.744 1.00 0.00 H new ATOM 1458 N SER A 101 23.490 11.214 1.031 1.00 0.00 N ATOM 1459 CA SER A 101 23.532 11.769 2.379 1.00 0.00 C ATOM 1460 C SER A 101 22.459 12.837 2.560 1.00 0.00 C ATOM 1461 O SER A 101 22.229 13.657 1.672 1.00 0.00 O ATOM 1462 CB SER A 101 24.912 12.364 2.666 1.00 0.00 C ATOM 1463 OG SER A 101 25.767 11.405 3.265 1.00 0.00 O ATOM 0 H SER A 101 24.154 11.634 0.381 1.00 0.00 H new ATOM 0 HA SER A 101 23.339 10.960 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 101 25.357 12.723 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 101 24.810 13.226 3.325 1.00 0.00 H new ATOM 0 HG SER A 101 26.643 11.810 3.437 1.00 0.00 H new ATOM 1469 N GLY A 102 21.805 12.820 3.717 1.00 0.00 N ATOM 1470 CA GLY A 102 20.763 13.792 3.995 1.00 0.00 C ATOM 1471 C GLY A 102 21.316 15.096 4.534 1.00 0.00 C ATOM 1472 O GLY A 102 21.248 16.113 3.812 1.00 0.00 O ATOM 1473 OXT GLY A 102 21.817 15.101 5.678 1.00 0.00 O ATOM 0 H GLY A 102 21.978 12.151 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 102 20.201 13.989 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 102 20.062 13.372 4.716 1.00 0.00 H new TER 1477 GLY A 102