USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 696 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 94 ASN : amide:sc= -1.27! C(o=-0.65!,f=-2.7!) USER MOD Set 1.2: A 96 ASN : amide:sc= 0.621 K(o=-0.65,f=-1.4) USER MOD Set 2.1: A 71 THR OG1 : rot 75:sc= 1.25 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 72 CYS SG : rot -10:sc= -1.74 USER MOD Set 3.2: A 75 CYS SG : rot -47:sc= -6.03! USER MOD Set 3.3: A 88 HIS : no HD1:sc= -1.59! C(o=-13!,f=-14!) USER MOD Set 3.4: A 89 GLN : amide:sc= -0.794 X(o=-13,f=-13!) USER MOD Set 3.5: A 93 HIS : no HD1:sc= -2.86! K(o=-13!,f=-12) USER MOD Set 4.1: A 47 TYR OH : rot 130:sc= 0.124 USER MOD Set 4.2: A 68 LYS NZ :NH3+ 147:sc= 0.112 (180deg=0.174) USER MOD Set 5.1: A 45 CYS SG : rot 180:sc= -1.78 USER MOD Set 5.2: A 48 CYS SG : rot -50:sc= -7.01! USER MOD Set 5.3: A 61 HIS : no HD1:sc= -0.938 K(o=-11,f=-19!) USER MOD Set 5.4: A 65 CYS SG : rot 50:sc= -1.4 USER MOD Set 6.1: A 19 CYS SG : rot 30:sc= -1.1 USER MOD Set 6.2: A 22 CYS SG : rot -41:sc= 0.193 USER MOD Set 6.3: A 35 HIS : no HD1:sc= -1.53 K(o=-3,f=-1.6) USER MOD Set 6.4: A 39 CYS SG : rot -33:sc= -0.532 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -15:sc= 0.214! USER MOD Single : A 28 SER OG : rot 26:sc= 1.24 USER MOD Single : A 32 GLN : amide:sc= -0.795 K(o=-0.8,f=-2.4) USER MOD Single : A 34 SER OG : rot -79:sc= -0.316 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 13:sc= 0.49 USER MOD Single : A 54 SER OG : rot 86:sc= 0.0519 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 1.11 (180deg=0.865) USER MOD Single : A 59 GLN : amide:sc= -0.0495 K(o=-0.049,f=-1.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.952) USER MOD Single : A 76 MET CE :methyl 163:sc= -4.58! (180deg=-4.81!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.167 K(o=-0.17,f=-1) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.617 -34.924 9.545 1.00 0.00 N ATOM 9 CA SER A 2 3.563 -33.949 9.798 1.00 0.00 C ATOM 10 C SER A 2 2.460 -34.057 8.750 1.00 0.00 C ATOM 11 O SER A 2 2.678 -34.576 7.655 1.00 0.00 O ATOM 12 CB SER A 2 4.140 -32.532 9.804 1.00 0.00 C ATOM 13 OG SER A 2 4.386 -32.077 8.485 1.00 0.00 O ATOM 0 HA SER A 2 3.132 -34.162 10.776 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.446 -31.855 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.067 -32.516 10.377 1.00 0.00 H new ATOM 0 HG SER A 2 4.753 -31.169 8.515 1.00 0.00 H new ATOM 19 N SER A 3 1.275 -33.564 9.094 1.00 0.00 N ATOM 20 CA SER A 3 0.135 -33.608 8.184 1.00 0.00 C ATOM 21 C SER A 3 -0.424 -32.208 7.946 1.00 0.00 C ATOM 22 O SER A 3 0.019 -31.238 8.560 1.00 0.00 O ATOM 23 CB SER A 3 -0.958 -34.517 8.747 1.00 0.00 C ATOM 24 OG SER A 3 -0.532 -35.869 8.778 1.00 0.00 O ATOM 0 H SER A 3 1.078 -33.129 9.996 1.00 0.00 H new ATOM 0 HA SER A 3 0.477 -34.011 7.231 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.222 -34.193 9.754 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.857 -34.430 8.138 1.00 0.00 H new ATOM 0 HG SER A 3 -1.248 -36.429 9.144 1.00 0.00 H new ATOM 30 N GLY A 4 -1.401 -32.113 7.049 1.00 0.00 N ATOM 31 CA GLY A 4 -2.005 -30.829 6.745 1.00 0.00 C ATOM 32 C GLY A 4 -2.834 -30.865 5.476 1.00 0.00 C ATOM 33 O GLY A 4 -2.700 -31.782 4.665 1.00 0.00 O ATOM 0 H GLY A 4 -1.785 -32.902 6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.636 -30.521 7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.222 -30.078 6.643 1.00 0.00 H new ATOM 37 N SER A 5 -3.692 -29.865 5.303 1.00 0.00 N ATOM 38 CA SER A 5 -4.550 -29.789 4.126 1.00 0.00 C ATOM 39 C SER A 5 -5.245 -28.433 4.048 1.00 0.00 C ATOM 40 O SER A 5 -5.502 -27.795 5.068 1.00 0.00 O ATOM 41 CB SER A 5 -5.592 -30.909 4.154 1.00 0.00 C ATOM 42 OG SER A 5 -5.959 -31.297 2.842 1.00 0.00 O ATOM 0 H SER A 5 -3.812 -29.096 5.963 1.00 0.00 H new ATOM 0 HA SER A 5 -3.924 -29.908 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.192 -31.768 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.475 -30.575 4.698 1.00 0.00 H new ATOM 0 HG SER A 5 -6.624 -32.015 2.887 1.00 0.00 H new ATOM 48 N SER A 6 -5.548 -28.000 2.828 1.00 0.00 N ATOM 49 CA SER A 6 -6.211 -26.719 2.614 1.00 0.00 C ATOM 50 C SER A 6 -6.703 -26.595 1.176 1.00 0.00 C ATOM 51 O SER A 6 -6.105 -27.146 0.253 1.00 0.00 O ATOM 52 CB SER A 6 -5.258 -25.567 2.940 1.00 0.00 C ATOM 53 OG SER A 6 -4.264 -25.430 1.940 1.00 0.00 O ATOM 0 H SER A 6 -5.345 -28.518 1.973 1.00 0.00 H new ATOM 0 HA SER A 6 -7.073 -26.668 3.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.822 -24.638 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.785 -25.744 3.906 1.00 0.00 H new ATOM 0 HG SER A 6 -3.669 -24.686 2.170 1.00 0.00 H new ATOM 59 N GLY A 7 -7.800 -25.866 0.993 1.00 0.00 N ATOM 60 CA GLY A 7 -8.356 -25.683 -0.335 1.00 0.00 C ATOM 61 C GLY A 7 -9.478 -24.664 -0.358 1.00 0.00 C ATOM 62 O GLY A 7 -9.419 -23.649 0.335 1.00 0.00 O ATOM 0 H GLY A 7 -8.313 -25.399 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.566 -25.365 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.729 -26.638 -0.704 1.00 0.00 H new ATOM 66 N ALA A 8 -10.504 -24.934 -1.159 1.00 0.00 N ATOM 67 CA ALA A 8 -11.645 -24.033 -1.270 1.00 0.00 C ATOM 68 C ALA A 8 -12.917 -24.799 -1.616 1.00 0.00 C ATOM 69 O ALA A 8 -12.867 -25.976 -1.973 1.00 0.00 O ATOM 70 CB ALA A 8 -11.371 -22.961 -2.314 1.00 0.00 C ATOM 0 H ALA A 8 -10.568 -25.769 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.793 -23.553 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.231 -22.295 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.491 -22.387 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.194 -23.432 -3.281 1.00 0.00 H new ATOM 76 N SER A 9 -14.057 -24.123 -1.506 1.00 0.00 N ATOM 77 CA SER A 9 -15.343 -24.742 -1.803 1.00 0.00 C ATOM 78 C SER A 9 -16.203 -23.822 -2.665 1.00 0.00 C ATOM 79 O SER A 9 -16.921 -22.955 -2.167 1.00 0.00 O ATOM 80 CB SER A 9 -16.082 -25.081 -0.507 1.00 0.00 C ATOM 81 OG SER A 9 -17.047 -26.096 -0.720 1.00 0.00 O ATOM 0 H SER A 9 -14.116 -23.148 -1.214 1.00 0.00 H new ATOM 0 HA SER A 9 -15.155 -25.661 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.367 -25.408 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.570 -24.187 -0.119 1.00 0.00 H new ATOM 0 HG SER A 9 -17.504 -26.295 0.124 1.00 0.00 H new ATOM 87 N PRO A 10 -16.128 -24.014 -3.990 1.00 0.00 N ATOM 88 CA PRO A 10 -16.892 -23.213 -4.951 1.00 0.00 C ATOM 89 C PRO A 10 -18.387 -23.508 -4.893 1.00 0.00 C ATOM 90 O PRO A 10 -18.804 -24.664 -4.961 1.00 0.00 O ATOM 91 CB PRO A 10 -16.315 -23.636 -6.304 1.00 0.00 C ATOM 92 CG PRO A 10 -15.779 -25.007 -6.076 1.00 0.00 C ATOM 93 CD PRO A 10 -15.292 -25.030 -4.653 1.00 0.00 C ATOM 0 HA PRO A 10 -16.806 -22.145 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -17.081 -23.635 -7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.530 -22.953 -6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.551 -25.760 -6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.968 -25.229 -6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.420 -26.013 -4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.232 -24.784 -4.587 1.00 0.00 H new ATOM 101 N VAL A 11 -19.189 -22.456 -4.769 1.00 0.00 N ATOM 102 CA VAL A 11 -20.638 -22.602 -4.704 1.00 0.00 C ATOM 103 C VAL A 11 -21.320 -21.816 -5.818 1.00 0.00 C ATOM 104 O VAL A 11 -21.068 -20.625 -5.993 1.00 0.00 O ATOM 105 CB VAL A 11 -21.190 -22.131 -3.346 1.00 0.00 C ATOM 106 CG1 VAL A 11 -22.710 -22.182 -3.340 1.00 0.00 C ATOM 107 CG2 VAL A 11 -20.615 -22.973 -2.217 1.00 0.00 C ATOM 0 H VAL A 11 -18.860 -21.492 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 11 -20.855 -23.663 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 11 -20.885 -21.096 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -23.082 -21.846 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -23.099 -21.532 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -23.040 -23.205 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -21.016 -22.627 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.888 -24.018 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.529 -22.879 -2.210 1.00 0.00 H new ATOM 117 N GLU A 12 -22.186 -22.492 -6.567 1.00 0.00 N ATOM 118 CA GLU A 12 -22.905 -21.855 -7.665 1.00 0.00 C ATOM 119 C GLU A 12 -23.372 -20.457 -7.271 1.00 0.00 C ATOM 120 O GLU A 12 -23.681 -20.199 -6.109 1.00 0.00 O ATOM 121 CB GLU A 12 -24.106 -22.708 -8.080 1.00 0.00 C ATOM 122 CG GLU A 12 -25.017 -22.026 -9.086 1.00 0.00 C ATOM 123 CD GLU A 12 -26.411 -22.623 -9.109 1.00 0.00 C ATOM 124 OE1 GLU A 12 -27.024 -22.742 -8.028 1.00 0.00 O ATOM 125 OE2 GLU A 12 -26.889 -22.970 -10.209 1.00 0.00 O ATOM 0 H GLU A 12 -22.407 -23.479 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 12 -22.222 -21.766 -8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -23.746 -23.645 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -24.685 -22.962 -7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -25.084 -20.964 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -24.576 -22.103 -10.080 1.00 0.00 H new ATOM 199 N TYR A 17 -21.205 -8.770 -10.667 1.00 0.00 N ATOM 200 CA TYR A 17 -20.170 -7.861 -11.143 1.00 0.00 C ATOM 201 C TYR A 17 -19.018 -7.775 -10.146 1.00 0.00 C ATOM 202 O TYR A 17 -19.101 -7.062 -9.147 1.00 0.00 O ATOM 203 CB TYR A 17 -20.756 -6.468 -11.383 1.00 0.00 C ATOM 204 CG TYR A 17 -21.985 -6.472 -12.264 1.00 0.00 C ATOM 205 CD1 TYR A 17 -22.111 -7.377 -13.310 1.00 0.00 C ATOM 206 CD2 TYR A 17 -23.020 -5.570 -12.049 1.00 0.00 C ATOM 207 CE1 TYR A 17 -23.232 -7.383 -14.118 1.00 0.00 C ATOM 208 CE2 TYR A 17 -24.145 -5.570 -12.851 1.00 0.00 C ATOM 209 CZ TYR A 17 -24.246 -6.478 -13.884 1.00 0.00 C ATOM 210 OH TYR A 17 -25.365 -6.482 -14.685 1.00 0.00 O ATOM 0 HA TYR A 17 -19.783 -8.253 -12.084 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -21.009 -6.019 -10.423 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.994 -5.836 -11.839 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -21.319 -8.088 -13.495 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -22.944 -4.857 -11.241 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -23.314 -8.092 -14.928 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -24.941 -4.863 -12.670 1.00 0.00 H new ATOM 0 HH TYR A 17 -25.984 -5.784 -14.386 1.00 0.00 H new ATOM 220 N GLN A 18 -17.946 -8.508 -10.427 1.00 0.00 N ATOM 221 CA GLN A 18 -16.777 -8.516 -9.555 1.00 0.00 C ATOM 222 C GLN A 18 -15.727 -7.522 -10.043 1.00 0.00 C ATOM 223 O GLN A 18 -15.585 -7.293 -11.244 1.00 0.00 O ATOM 224 CB GLN A 18 -16.174 -9.920 -9.488 1.00 0.00 C ATOM 225 CG GLN A 18 -16.705 -10.755 -8.334 1.00 0.00 C ATOM 226 CD GLN A 18 -16.700 -12.240 -8.638 1.00 0.00 C ATOM 227 OE1 GLN A 18 -17.753 -12.850 -8.830 1.00 0.00 O ATOM 228 NE2 GLN A 18 -15.512 -12.831 -8.683 1.00 0.00 N ATOM 0 H GLN A 18 -17.862 -9.104 -11.251 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.098 -8.218 -8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.377 -10.439 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.091 -9.837 -9.398 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.100 -10.568 -7.447 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.722 -10.439 -8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.665 -12.287 -8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.446 -13.829 -8.883 1.00 0.00 H new ATOM 237 N CYS A 19 -14.995 -6.934 -9.103 1.00 0.00 N ATOM 238 CA CYS A 19 -13.959 -5.964 -9.436 1.00 0.00 C ATOM 239 C CYS A 19 -12.764 -6.648 -10.094 1.00 0.00 C ATOM 240 O CYS A 19 -12.298 -7.689 -9.629 1.00 0.00 O ATOM 241 CB CYS A 19 -13.505 -5.219 -8.179 1.00 0.00 C ATOM 242 SG CYS A 19 -12.166 -4.019 -8.468 1.00 0.00 S ATOM 0 H CYS A 19 -15.100 -7.112 -8.104 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.380 -5.249 -10.142 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.360 -4.696 -7.751 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -13.173 -5.947 -7.439 1.00 0.00 H new ATOM 0 HG CYS A 19 -12.257 -3.550 -9.677 1.00 0.00 H new ATOM 247 N ARG A 20 -12.273 -6.056 -11.178 1.00 0.00 N ATOM 248 CA ARG A 20 -11.133 -6.609 -11.900 1.00 0.00 C ATOM 249 C ARG A 20 -9.820 -6.196 -11.241 1.00 0.00 C ATOM 250 O ARG A 20 -8.769 -6.183 -11.883 1.00 0.00 O ATOM 251 CB ARG A 20 -11.153 -6.145 -13.358 1.00 0.00 C ATOM 252 CG ARG A 20 -12.251 -6.790 -14.187 1.00 0.00 C ATOM 253 CD ARG A 20 -13.587 -6.093 -13.981 1.00 0.00 C ATOM 254 NE ARG A 20 -14.601 -6.565 -14.921 1.00 0.00 N ATOM 255 CZ ARG A 20 -14.748 -6.080 -16.148 1.00 0.00 C ATOM 256 NH1 ARG A 20 -13.951 -5.113 -16.583 1.00 0.00 N ATOM 257 NH2 ARG A 20 -15.695 -6.561 -16.944 1.00 0.00 N ATOM 0 H ARG A 20 -12.646 -5.194 -11.575 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.208 -7.696 -11.870 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.278 -5.062 -13.384 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.188 -6.366 -13.814 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.980 -6.755 -15.242 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.343 -7.842 -13.916 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.931 -6.263 -12.961 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.457 -5.017 -14.098 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.231 -7.308 -14.618 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.223 -4.740 -15.974 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.067 -4.743 -17.526 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.311 -7.304 -16.613 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.807 -6.188 -17.887 1.00 0.00 H new ATOM 271 N LEU A 21 -9.888 -5.860 -9.958 1.00 0.00 N ATOM 272 CA LEU A 21 -8.705 -5.446 -9.212 1.00 0.00 C ATOM 273 C LEU A 21 -8.529 -6.294 -7.956 1.00 0.00 C ATOM 274 O LEU A 21 -7.422 -6.728 -7.637 1.00 0.00 O ATOM 275 CB LEU A 21 -8.808 -3.968 -8.833 1.00 0.00 C ATOM 276 CG LEU A 21 -9.244 -3.018 -9.949 1.00 0.00 C ATOM 277 CD1 LEU A 21 -9.537 -1.635 -9.388 1.00 0.00 C ATOM 278 CD2 LEU A 21 -8.178 -2.941 -11.032 1.00 0.00 C ATOM 0 H LEU A 21 -10.750 -5.866 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.834 -5.591 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.513 -3.874 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.837 -3.640 -8.463 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.159 -3.408 -10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.846 -0.972 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.336 -1.704 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.639 -1.237 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.506 -2.260 -11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.246 -2.575 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.017 -3.933 -11.455 1.00 0.00 H new ATOM 290 N CYS A 22 -9.629 -6.527 -7.247 1.00 0.00 N ATOM 291 CA CYS A 22 -9.598 -7.324 -6.027 1.00 0.00 C ATOM 292 C CYS A 22 -10.580 -8.489 -6.113 1.00 0.00 C ATOM 293 O CYS A 22 -10.555 -9.398 -5.285 1.00 0.00 O ATOM 294 CB CYS A 22 -9.931 -6.452 -4.815 1.00 0.00 C ATOM 295 SG CYS A 22 -11.514 -5.560 -4.952 1.00 0.00 S ATOM 0 H CYS A 22 -10.553 -6.175 -7.497 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.592 -7.727 -5.912 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.956 -7.081 -3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.129 -5.728 -4.671 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.650 -5.101 -6.160 1.00 0.00 H new ATOM 300 N ASN A 23 -11.444 -8.454 -7.123 1.00 0.00 N ATOM 301 CA ASN A 23 -12.434 -9.507 -7.318 1.00 0.00 C ATOM 302 C ASN A 23 -13.514 -9.444 -6.242 1.00 0.00 C ATOM 303 O ASN A 23 -13.906 -10.467 -5.682 1.00 0.00 O ATOM 304 CB ASN A 23 -11.760 -10.880 -7.300 1.00 0.00 C ATOM 305 CG ASN A 23 -10.508 -10.921 -8.156 1.00 0.00 C ATOM 306 OD1 ASN A 23 -9.403 -11.119 -7.650 1.00 0.00 O ATOM 307 ND2 ASN A 23 -10.676 -10.733 -9.459 1.00 0.00 N ATOM 0 H ASN A 23 -11.478 -7.708 -7.818 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.904 -9.354 -8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.504 -11.143 -6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.464 -11.632 -7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.871 -10.749 -10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.611 -10.572 -9.835 1.00 0.00 H new ATOM 314 N ALA A 24 -13.990 -8.236 -5.960 1.00 0.00 N ATOM 315 CA ALA A 24 -15.027 -8.040 -4.953 1.00 0.00 C ATOM 316 C ALA A 24 -16.401 -7.902 -5.600 1.00 0.00 C ATOM 317 O ALA A 24 -16.602 -7.069 -6.484 1.00 0.00 O ATOM 318 CB ALA A 24 -14.715 -6.815 -4.106 1.00 0.00 C ATOM 0 H ALA A 24 -13.675 -7.379 -6.414 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.044 -8.919 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.497 -6.681 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.756 -6.952 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.668 -5.933 -4.745 1.00 0.00 H new ATOM 324 N LYS A 25 -17.344 -8.725 -5.154 1.00 0.00 N ATOM 325 CA LYS A 25 -18.701 -8.696 -5.688 1.00 0.00 C ATOM 326 C LYS A 25 -19.354 -7.340 -5.440 1.00 0.00 C ATOM 327 O LYS A 25 -19.414 -6.867 -4.305 1.00 0.00 O ATOM 328 CB LYS A 25 -19.544 -9.804 -5.054 1.00 0.00 C ATOM 329 CG LYS A 25 -19.218 -11.192 -5.578 1.00 0.00 C ATOM 330 CD LYS A 25 -20.231 -12.220 -5.103 1.00 0.00 C ATOM 331 CE LYS A 25 -19.658 -13.628 -5.143 1.00 0.00 C ATOM 332 NZ LYS A 25 -20.617 -14.633 -4.608 1.00 0.00 N ATOM 0 H LYS A 25 -17.193 -9.421 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.645 -8.861 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.396 -9.789 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.598 -9.595 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.199 -11.175 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.221 -11.482 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.543 -11.982 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.122 -12.171 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.398 -13.885 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -18.736 -13.661 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.189 -15.580 -4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.846 -14.403 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.487 -14.620 -5.177 1.00 0.00 H new ATOM 346 N LEU A 26 -19.843 -6.720 -6.508 1.00 0.00 N ATOM 347 CA LEU A 26 -20.494 -5.418 -6.406 1.00 0.00 C ATOM 348 C LEU A 26 -22.002 -5.575 -6.243 1.00 0.00 C ATOM 349 O LEU A 26 -22.528 -6.688 -6.272 1.00 0.00 O ATOM 350 CB LEU A 26 -20.189 -4.575 -7.646 1.00 0.00 C ATOM 351 CG LEU A 26 -18.866 -3.808 -7.626 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.729 -3.013 -6.337 1.00 0.00 C ATOM 353 CD2 LEU A 26 -17.694 -4.763 -7.794 1.00 0.00 C ATOM 0 H LEU A 26 -19.801 -7.097 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.102 -4.911 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -20.193 -5.231 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.999 -3.859 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.861 -3.108 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.782 -2.474 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.551 -2.301 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.756 -3.693 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.761 -4.200 -7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -17.695 -5.487 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.785 -5.287 -8.746 1.00 0.00 H new ATOM 365 N SER A 27 -22.694 -4.453 -6.073 1.00 0.00 N ATOM 366 CA SER A 27 -24.142 -4.466 -5.903 1.00 0.00 C ATOM 367 C SER A 27 -24.845 -4.072 -7.198 1.00 0.00 C ATOM 368 O SER A 27 -26.057 -4.238 -7.336 1.00 0.00 O ATOM 369 CB SER A 27 -24.553 -3.514 -4.777 1.00 0.00 C ATOM 370 OG SER A 27 -25.959 -3.342 -4.743 1.00 0.00 O ATOM 0 H SER A 27 -22.275 -3.523 -6.049 1.00 0.00 H new ATOM 0 HA SER A 27 -24.443 -5.480 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.208 -3.907 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.069 -2.548 -4.918 1.00 0.00 H new ATOM 0 HG SER A 27 -26.349 -3.674 -5.578 1.00 0.00 H new ATOM 376 N SER A 28 -24.074 -3.549 -8.147 1.00 0.00 N ATOM 377 CA SER A 28 -24.621 -3.127 -9.431 1.00 0.00 C ATOM 378 C SER A 28 -23.505 -2.744 -10.398 1.00 0.00 C ATOM 379 O SER A 28 -22.368 -2.506 -9.989 1.00 0.00 O ATOM 380 CB SER A 28 -25.574 -1.946 -9.240 1.00 0.00 C ATOM 381 OG SER A 28 -26.877 -2.390 -8.905 1.00 0.00 O ATOM 0 H SER A 28 -23.068 -3.408 -8.050 1.00 0.00 H new ATOM 0 HA SER A 28 -25.173 -3.965 -9.856 1.00 0.00 H new ATOM 0 HB2 SER A 28 -25.196 -1.293 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 28 -25.612 -1.354 -10.155 1.00 0.00 H new ATOM 0 HG SER A 28 -26.822 -3.264 -8.466 1.00 0.00 H new ATOM 387 N LEU A 29 -23.838 -2.687 -11.683 1.00 0.00 N ATOM 388 CA LEU A 29 -22.865 -2.333 -12.710 1.00 0.00 C ATOM 389 C LEU A 29 -22.160 -1.025 -12.365 1.00 0.00 C ATOM 390 O LEU A 29 -20.949 -0.892 -12.547 1.00 0.00 O ATOM 391 CB LEU A 29 -23.552 -2.212 -14.071 1.00 0.00 C ATOM 392 CG LEU A 29 -22.690 -2.543 -15.290 1.00 0.00 C ATOM 393 CD1 LEU A 29 -22.437 -4.040 -15.374 1.00 0.00 C ATOM 394 CD2 LEU A 29 -23.353 -2.040 -16.564 1.00 0.00 C ATOM 0 H LEU A 29 -24.774 -2.881 -12.038 1.00 0.00 H new ATOM 0 HA LEU A 29 -22.118 -3.125 -12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -24.421 -2.870 -14.076 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -23.923 -1.193 -14.179 1.00 0.00 H new ATOM 0 HG LEU A 29 -21.730 -2.039 -15.180 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -21.822 -4.257 -16.248 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -21.919 -4.373 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -23.388 -4.565 -15.461 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -22.726 -2.284 -17.421 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -24.327 -2.516 -16.680 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -23.482 -0.959 -16.505 1.00 0.00 H new ATOM 406 N LEU A 30 -22.925 -0.061 -11.864 1.00 0.00 N ATOM 407 CA LEU A 30 -22.374 1.237 -11.491 1.00 0.00 C ATOM 408 C LEU A 30 -21.293 1.084 -10.426 1.00 0.00 C ATOM 409 O LEU A 30 -20.172 1.563 -10.594 1.00 0.00 O ATOM 410 CB LEU A 30 -23.485 2.155 -10.977 1.00 0.00 C ATOM 411 CG LEU A 30 -23.224 3.657 -11.101 1.00 0.00 C ATOM 412 CD1 LEU A 30 -23.489 4.129 -12.522 1.00 0.00 C ATOM 413 CD2 LEU A 30 -24.083 4.431 -10.112 1.00 0.00 C ATOM 0 H LEU A 30 -23.929 -0.154 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.924 1.682 -12.378 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -24.402 1.920 -11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -23.664 1.923 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 30 -22.176 3.845 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.298 5.200 -12.591 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -22.832 3.598 -13.210 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -24.528 3.928 -12.784 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.884 5.498 -10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -25.136 4.237 -10.315 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.845 4.113 -9.097 1.00 0.00 H new ATOM 425 N GLU A 31 -21.636 0.410 -9.333 1.00 0.00 N ATOM 426 CA GLU A 31 -20.693 0.193 -8.242 1.00 0.00 C ATOM 427 C GLU A 31 -19.362 -0.334 -8.771 1.00 0.00 C ATOM 428 O GLU A 31 -18.310 -0.097 -8.178 1.00 0.00 O ATOM 429 CB GLU A 31 -21.275 -0.790 -7.224 1.00 0.00 C ATOM 430 CG GLU A 31 -20.813 -0.535 -5.799 1.00 0.00 C ATOM 431 CD GLU A 31 -21.705 -1.201 -4.769 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.827 -0.701 -4.545 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.280 -2.220 -4.187 1.00 0.00 O ATOM 0 H GLU A 31 -22.559 0.005 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.516 1.150 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.363 -0.735 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.997 -1.804 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.793 -0.900 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.791 0.539 -5.615 1.00 0.00 H new ATOM 440 N GLN A 32 -19.418 -1.049 -9.890 1.00 0.00 N ATOM 441 CA GLN A 32 -18.217 -1.611 -10.497 1.00 0.00 C ATOM 442 C GLN A 32 -17.376 -0.519 -11.150 1.00 0.00 C ATOM 443 O GLN A 32 -16.204 -0.344 -10.822 1.00 0.00 O ATOM 444 CB GLN A 32 -18.593 -2.670 -11.534 1.00 0.00 C ATOM 445 CG GLN A 32 -17.435 -3.575 -11.926 1.00 0.00 C ATOM 446 CD GLN A 32 -17.833 -4.621 -12.949 1.00 0.00 C ATOM 447 OE1 GLN A 32 -18.945 -4.599 -13.477 1.00 0.00 O ATOM 448 NE2 GLN A 32 -16.924 -5.546 -13.234 1.00 0.00 N ATOM 0 H GLN A 32 -20.281 -1.253 -10.394 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.626 -2.078 -9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.404 -3.282 -11.139 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.974 -2.174 -12.427 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.625 -2.968 -12.329 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.049 -4.071 -11.036 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -16.015 -5.527 -12.773 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.135 -6.276 -13.914 1.00 0.00 H new ATOM 457 N GLY A 33 -17.984 0.215 -12.078 1.00 0.00 N ATOM 458 CA GLY A 33 -17.276 1.280 -12.763 1.00 0.00 C ATOM 459 C GLY A 33 -16.787 2.356 -11.813 1.00 0.00 C ATOM 460 O GLY A 33 -15.869 3.108 -12.137 1.00 0.00 O ATOM 0 H GLY A 33 -18.954 0.090 -12.367 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.426 0.860 -13.300 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.933 1.729 -13.508 1.00 0.00 H new ATOM 464 N SER A 34 -17.404 2.429 -10.638 1.00 0.00 N ATOM 465 CA SER A 34 -17.029 3.425 -9.640 1.00 0.00 C ATOM 466 C SER A 34 -15.983 2.865 -8.681 1.00 0.00 C ATOM 467 O SER A 34 -14.938 3.478 -8.457 1.00 0.00 O ATOM 468 CB SER A 34 -18.262 3.881 -8.857 1.00 0.00 C ATOM 469 OG SER A 34 -18.923 2.780 -8.259 1.00 0.00 O ATOM 0 H SER A 34 -18.165 1.812 -10.354 1.00 0.00 H new ATOM 0 HA SER A 34 -16.599 4.281 -10.160 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.965 4.593 -8.087 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.948 4.402 -9.525 1.00 0.00 H new ATOM 0 HG SER A 34 -19.462 2.317 -8.933 1.00 0.00 H new ATOM 475 N HIS A 35 -16.270 1.697 -8.117 1.00 0.00 N ATOM 476 CA HIS A 35 -15.354 1.053 -7.182 1.00 0.00 C ATOM 477 C HIS A 35 -13.959 0.928 -7.787 1.00 0.00 C ATOM 478 O HIS A 35 -12.962 0.890 -7.067 1.00 0.00 O ATOM 479 CB HIS A 35 -15.879 -0.329 -6.791 1.00 0.00 C ATOM 480 CG HIS A 35 -14.889 -1.150 -6.024 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.919 -1.278 -4.651 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.837 -1.891 -6.446 1.00 0.00 C ATOM 483 CE1 HIS A 35 -13.928 -2.059 -4.262 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.256 -2.445 -5.332 1.00 0.00 N ATOM 0 H HIS A 35 -17.130 1.176 -8.291 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.289 1.675 -6.289 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.782 -0.210 -6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.165 -0.869 -7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.515 -2.022 -7.469 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.705 -2.335 -3.242 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.439 -3.055 -5.331 1.00 0.00 H new ATOM 492 N GLU A 36 -13.899 0.864 -9.113 1.00 0.00 N ATOM 493 CA GLU A 36 -12.626 0.741 -9.814 1.00 0.00 C ATOM 494 C GLU A 36 -11.827 2.039 -9.722 1.00 0.00 C ATOM 495 O GLU A 36 -10.600 2.033 -9.821 1.00 0.00 O ATOM 496 CB GLU A 36 -12.859 0.376 -11.281 1.00 0.00 C ATOM 497 CG GLU A 36 -13.017 -1.117 -11.519 1.00 0.00 C ATOM 498 CD GLU A 36 -12.526 -1.545 -12.888 1.00 0.00 C ATOM 499 OE1 GLU A 36 -11.329 -1.337 -13.180 1.00 0.00 O ATOM 500 OE2 GLU A 36 -13.337 -2.088 -13.667 1.00 0.00 O ATOM 0 H GLU A 36 -14.716 0.895 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.053 -0.054 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.753 0.889 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.023 0.744 -11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.467 -1.663 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.067 -1.389 -11.412 1.00 0.00 H new ATOM 507 N ARG A 37 -12.533 3.149 -9.534 1.00 0.00 N ATOM 508 CA ARG A 37 -11.892 4.454 -9.432 1.00 0.00 C ATOM 509 C ARG A 37 -11.177 4.605 -8.092 1.00 0.00 C ATOM 510 O ARG A 37 -10.044 5.084 -8.031 1.00 0.00 O ATOM 511 CB ARG A 37 -12.926 5.569 -9.598 1.00 0.00 C ATOM 512 CG ARG A 37 -13.244 5.893 -11.049 1.00 0.00 C ATOM 513 CD ARG A 37 -13.972 7.222 -11.176 1.00 0.00 C ATOM 514 NE ARG A 37 -14.752 7.303 -12.408 1.00 0.00 N ATOM 515 CZ ARG A 37 -15.086 8.449 -12.992 1.00 0.00 C ATOM 516 NH1 ARG A 37 -14.710 9.603 -12.459 1.00 0.00 N ATOM 517 NH2 ARG A 37 -15.798 8.441 -14.112 1.00 0.00 N ATOM 0 H ARG A 37 -13.549 3.170 -9.449 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.153 4.531 -10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.845 5.279 -9.089 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.559 6.469 -9.105 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.320 5.926 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.857 5.099 -11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.632 7.357 -10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.248 8.036 -11.151 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.057 6.433 -12.844 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.163 9.613 -11.598 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.968 10.481 -12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.089 7.555 -14.525 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.054 9.321 -14.560 1.00 0.00 H new ATOM 531 N LEU A 38 -11.846 4.192 -7.021 1.00 0.00 N ATOM 532 CA LEU A 38 -11.276 4.281 -5.681 1.00 0.00 C ATOM 533 C LEU A 38 -10.334 3.112 -5.411 1.00 0.00 C ATOM 534 O LEU A 38 -9.304 3.269 -4.755 1.00 0.00 O ATOM 535 CB LEU A 38 -12.389 4.307 -4.632 1.00 0.00 C ATOM 536 CG LEU A 38 -13.657 3.526 -4.980 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.292 2.953 -3.722 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.645 4.416 -5.720 1.00 0.00 C ATOM 0 H LEU A 38 -12.784 3.792 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.704 5.207 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.989 3.914 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.665 5.346 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.383 2.698 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.193 2.401 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.587 2.282 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.552 3.765 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.541 3.844 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.913 5.264 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.189 4.779 -6.641 1.00 0.00 H new ATOM 550 N CYS A 39 -10.693 1.940 -5.924 1.00 0.00 N ATOM 551 CA CYS A 39 -9.880 0.744 -5.741 1.00 0.00 C ATOM 552 C CYS A 39 -8.543 0.878 -6.464 1.00 0.00 C ATOM 553 O CYS A 39 -7.679 0.007 -6.360 1.00 0.00 O ATOM 554 CB CYS A 39 -10.627 -0.489 -6.253 1.00 0.00 C ATOM 555 SG CYS A 39 -9.785 -2.067 -5.906 1.00 0.00 S ATOM 0 H CYS A 39 -11.542 1.793 -6.470 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.686 0.627 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.619 -0.512 -5.802 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.768 -0.394 -7.330 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.498 -1.890 -5.946 1.00 0.00 H new ATOM 560 N ARG A 40 -8.380 1.976 -7.194 1.00 0.00 N ATOM 561 CA ARG A 40 -7.149 2.225 -7.935 1.00 0.00 C ATOM 562 C ARG A 40 -6.191 3.092 -7.122 1.00 0.00 C ATOM 563 O ARG A 40 -4.985 2.851 -7.103 1.00 0.00 O ATOM 564 CB ARG A 40 -7.460 2.904 -9.270 1.00 0.00 C ATOM 565 CG ARG A 40 -6.470 2.563 -10.372 1.00 0.00 C ATOM 566 CD ARG A 40 -7.113 2.660 -11.747 1.00 0.00 C ATOM 567 NE ARG A 40 -7.220 4.042 -12.205 1.00 0.00 N ATOM 568 CZ ARG A 40 -7.956 4.417 -13.245 1.00 0.00 C ATOM 569 NH1 ARG A 40 -8.648 3.517 -13.930 1.00 0.00 N ATOM 570 NH2 ARG A 40 -8.003 5.695 -13.600 1.00 0.00 N ATOM 0 H ARG A 40 -9.085 2.707 -7.288 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.670 1.265 -8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.461 2.615 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.471 3.984 -9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.617 3.240 -10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.086 1.554 -10.219 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.526 2.085 -12.463 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.106 2.211 -11.715 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.701 4.759 -11.698 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.616 2.534 -13.659 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.213 3.807 -14.728 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.474 6.390 -13.074 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.569 5.982 -14.399 1.00 0.00 H new ATOM 584 N ASN A 41 -6.739 4.102 -6.454 1.00 0.00 N ATOM 585 CA ASN A 41 -5.933 5.006 -5.641 1.00 0.00 C ATOM 586 C ASN A 41 -6.329 4.914 -4.170 1.00 0.00 C ATOM 587 O ASN A 41 -6.270 5.901 -3.438 1.00 0.00 O ATOM 588 CB ASN A 41 -6.090 6.446 -6.133 1.00 0.00 C ATOM 589 CG ASN A 41 -5.746 6.595 -7.603 1.00 0.00 C ATOM 590 OD1 ASN A 41 -4.579 6.746 -7.966 1.00 0.00 O ATOM 591 ND2 ASN A 41 -6.763 6.554 -8.456 1.00 0.00 N ATOM 0 H ASN A 41 -7.737 4.315 -6.459 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.889 4.708 -5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.116 6.774 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.448 7.101 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.593 6.649 -9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.714 6.427 -8.110 1.00 0.00 H new ATOM 598 N ALA A 42 -6.734 3.721 -3.746 1.00 0.00 N ATOM 599 CA ALA A 42 -7.137 3.499 -2.363 1.00 0.00 C ATOM 600 C ALA A 42 -5.922 3.366 -1.451 1.00 0.00 C ATOM 601 O ALA A 42 -5.798 4.083 -0.458 1.00 0.00 O ATOM 602 CB ALA A 42 -8.014 2.260 -2.261 1.00 0.00 C ATOM 0 H ALA A 42 -6.792 2.894 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.711 4.365 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.307 2.106 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.905 2.394 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.458 1.391 -2.613 1.00 0.00 H new ATOM 608 N ALA A 43 -5.028 2.445 -1.794 1.00 0.00 N ATOM 609 CA ALA A 43 -3.822 2.220 -1.007 1.00 0.00 C ATOM 610 C ALA A 43 -2.592 2.123 -1.903 1.00 0.00 C ATOM 611 O ALA A 43 -2.307 1.070 -2.473 1.00 0.00 O ATOM 612 CB ALA A 43 -3.967 0.958 -0.169 1.00 0.00 C ATOM 0 H ALA A 43 -5.116 1.842 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.688 3.072 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.059 0.802 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.817 1.064 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.129 0.102 -0.825 1.00 0.00 H new ATOM 618 N VAL A 44 -1.865 3.230 -2.023 1.00 0.00 N ATOM 619 CA VAL A 44 -0.665 3.270 -2.850 1.00 0.00 C ATOM 620 C VAL A 44 0.575 3.541 -2.005 1.00 0.00 C ATOM 621 O VAL A 44 0.694 4.593 -1.375 1.00 0.00 O ATOM 622 CB VAL A 44 -0.772 4.348 -3.944 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.503 4.398 -4.772 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.983 4.090 -4.829 1.00 0.00 C ATOM 0 H VAL A 44 -2.086 4.110 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.574 2.292 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.902 5.317 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.408 5.166 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.348 4.634 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.668 3.430 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.043 4.861 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.886 3.113 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.888 4.110 -4.222 1.00 0.00 H new ATOM 634 N CYS A 45 1.499 2.585 -1.996 1.00 0.00 N ATOM 635 CA CYS A 45 2.731 2.719 -1.229 1.00 0.00 C ATOM 636 C CYS A 45 3.658 3.751 -1.865 1.00 0.00 C ATOM 637 O CYS A 45 4.047 3.639 -3.027 1.00 0.00 O ATOM 638 CB CYS A 45 3.444 1.369 -1.129 1.00 0.00 C ATOM 639 SG CYS A 45 4.884 1.369 -0.013 1.00 0.00 S ATOM 0 H CYS A 45 1.417 1.709 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 45 2.470 3.059 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.732 0.619 -0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.769 1.068 -2.125 1.00 0.00 H new ATOM 0 HG CYS A 45 5.418 0.184 0.006 1.00 0.00 H new ATOM 644 N PRO A 46 4.021 4.780 -1.085 1.00 0.00 N ATOM 645 CA PRO A 46 4.907 5.852 -1.551 1.00 0.00 C ATOM 646 C PRO A 46 6.341 5.372 -1.752 1.00 0.00 C ATOM 647 O PRO A 46 7.247 6.172 -1.986 1.00 0.00 O ATOM 648 CB PRO A 46 4.842 6.882 -0.420 1.00 0.00 C ATOM 649 CG PRO A 46 4.482 6.093 0.791 1.00 0.00 C ATOM 650 CD PRO A 46 3.595 4.978 0.310 1.00 0.00 C ATOM 0 HA PRO A 46 4.599 6.243 -2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.798 7.390 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.098 7.651 -0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.373 5.699 1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.966 6.715 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.729 4.073 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.541 5.247 0.374 1.00 0.00 H new ATOM 658 N TYR A 47 6.539 4.061 -1.662 1.00 0.00 N ATOM 659 CA TYR A 47 7.863 3.475 -1.832 1.00 0.00 C ATOM 660 C TYR A 47 7.952 2.702 -3.145 1.00 0.00 C ATOM 661 O TYR A 47 8.763 3.022 -4.014 1.00 0.00 O ATOM 662 CB TYR A 47 8.189 2.549 -0.659 1.00 0.00 C ATOM 663 CG TYR A 47 8.188 3.248 0.682 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.909 4.419 0.877 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.467 2.736 1.753 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.912 5.061 2.101 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.463 3.372 2.980 1.00 0.00 C ATOM 668 CZ TYR A 47 8.187 4.533 3.149 1.00 0.00 C ATOM 669 OH TYR A 47 8.187 5.169 4.370 1.00 0.00 O ATOM 0 H TYR A 47 5.799 3.385 -1.472 1.00 0.00 H new ATOM 0 HA TYR A 47 8.591 4.286 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.463 1.736 -0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.168 2.098 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.477 4.835 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.900 1.826 1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.479 5.971 2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.896 2.962 3.802 1.00 0.00 H new ATOM 0 HH TYR A 47 7.264 5.282 4.680 1.00 0.00 H new ATOM 679 N CYS A 48 7.111 1.682 -3.281 1.00 0.00 N ATOM 680 CA CYS A 48 7.091 0.862 -4.486 1.00 0.00 C ATOM 681 C CYS A 48 5.875 1.189 -5.347 1.00 0.00 C ATOM 682 O CYS A 48 5.608 0.517 -6.343 1.00 0.00 O ATOM 683 CB CYS A 48 7.084 -0.623 -4.117 1.00 0.00 C ATOM 684 SG CYS A 48 5.758 -1.096 -2.962 1.00 0.00 S ATOM 0 H CYS A 48 6.434 1.404 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 48 7.991 1.083 -5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.985 -1.212 -5.029 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.046 -0.881 -3.674 1.00 0.00 H new ATOM 0 HG CYS A 48 5.759 -0.286 -1.945 1.00 0.00 H new ATOM 689 N SER A 49 5.142 2.227 -4.956 1.00 0.00 N ATOM 690 CA SER A 49 3.952 2.641 -5.690 1.00 0.00 C ATOM 691 C SER A 49 3.028 1.454 -5.943 1.00 0.00 C ATOM 692 O SER A 49 2.531 1.264 -7.054 1.00 0.00 O ATOM 693 CB SER A 49 4.346 3.287 -7.020 1.00 0.00 C ATOM 694 OG SER A 49 4.941 2.340 -7.890 1.00 0.00 O ATOM 0 H SER A 49 5.351 2.796 -4.136 1.00 0.00 H new ATOM 0 HA SER A 49 3.418 3.372 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.464 3.717 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.042 4.106 -6.838 1.00 0.00 H new ATOM 0 HG SER A 49 4.785 1.436 -7.545 1.00 0.00 H new ATOM 700 N LEU A 50 2.802 0.657 -4.904 1.00 0.00 N ATOM 701 CA LEU A 50 1.937 -0.513 -5.011 1.00 0.00 C ATOM 702 C LEU A 50 0.468 -0.103 -5.046 1.00 0.00 C ATOM 703 O LEU A 50 0.144 1.084 -5.015 1.00 0.00 O ATOM 704 CB LEU A 50 2.185 -1.464 -3.839 1.00 0.00 C ATOM 705 CG LEU A 50 3.192 -2.588 -4.087 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.653 -3.192 -2.770 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.586 -3.657 -4.984 1.00 0.00 C ATOM 0 H LEU A 50 3.206 0.800 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 50 2.174 -1.026 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.529 -0.877 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.233 -1.912 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 50 4.061 -2.167 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.369 -3.990 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.127 -2.421 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.794 -3.599 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.316 -4.449 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.700 -4.074 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.307 -3.214 -5.940 1.00 0.00 H new ATOM 719 N ARG A 51 -0.415 -1.094 -5.109 1.00 0.00 N ATOM 720 CA ARG A 51 -1.850 -0.837 -5.147 1.00 0.00 C ATOM 721 C ARG A 51 -2.623 -1.966 -4.472 1.00 0.00 C ATOM 722 O ARG A 51 -2.771 -3.052 -5.033 1.00 0.00 O ATOM 723 CB ARG A 51 -2.322 -0.674 -6.593 1.00 0.00 C ATOM 724 CG ARG A 51 -1.761 0.560 -7.281 1.00 0.00 C ATOM 725 CD ARG A 51 -2.270 0.680 -8.710 1.00 0.00 C ATOM 726 NE ARG A 51 -1.476 -0.117 -9.642 1.00 0.00 N ATOM 727 CZ ARG A 51 -1.957 -0.620 -10.773 1.00 0.00 C ATOM 728 NH1 ARG A 51 -3.222 -0.408 -11.111 1.00 0.00 N ATOM 729 NH2 ARG A 51 -1.173 -1.334 -11.570 1.00 0.00 N ATOM 0 H ARG A 51 -0.162 -2.082 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.043 0.087 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.036 -1.559 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.411 -0.624 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.040 1.451 -6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.672 0.513 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.310 0.358 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.247 1.726 -9.016 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.499 -0.297 -9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.827 0.142 -10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.589 -0.795 -11.980 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.199 -1.497 -11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.544 -1.720 -12.438 1.00 0.00 H new ATOM 743 N PHE A 52 -3.114 -1.702 -3.266 1.00 0.00 N ATOM 744 CA PHE A 52 -3.870 -2.696 -2.514 1.00 0.00 C ATOM 745 C PHE A 52 -5.348 -2.323 -2.452 1.00 0.00 C ATOM 746 O PHE A 52 -5.711 -1.154 -2.587 1.00 0.00 O ATOM 747 CB PHE A 52 -3.307 -2.832 -1.097 1.00 0.00 C ATOM 748 CG PHE A 52 -1.890 -3.328 -1.060 1.00 0.00 C ATOM 749 CD1 PHE A 52 -0.837 -2.481 -1.366 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.611 -4.642 -0.719 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.467 -2.935 -1.334 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.308 -5.102 -0.685 1.00 0.00 C ATOM 753 CZ PHE A 52 0.733 -4.247 -0.991 1.00 0.00 C ATOM 0 H PHE A 52 -3.002 -0.808 -2.788 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.776 -3.652 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.357 -1.863 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.938 -3.515 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.038 -1.454 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.421 -5.314 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.278 -2.265 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.104 -6.129 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.752 -4.603 -0.962 1.00 0.00 H new ATOM 763 N PHE A 53 -6.197 -3.324 -2.248 1.00 0.00 N ATOM 764 CA PHE A 53 -7.637 -3.103 -2.170 1.00 0.00 C ATOM 765 C PHE A 53 -7.979 -2.149 -1.029 1.00 0.00 C ATOM 766 O PHE A 53 -8.773 -1.223 -1.197 1.00 0.00 O ATOM 767 CB PHE A 53 -8.369 -4.432 -1.976 1.00 0.00 C ATOM 768 CG PHE A 53 -9.676 -4.296 -1.249 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.572 -3.295 -1.588 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.009 -5.169 -0.225 1.00 0.00 C ATOM 771 CE1 PHE A 53 -11.775 -3.166 -0.921 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.211 -5.046 0.445 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.095 -4.043 0.098 1.00 0.00 C ATOM 0 H PHE A 53 -5.913 -4.297 -2.134 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.962 -2.652 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.550 -4.884 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -7.724 -5.115 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.327 -2.607 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.321 -5.954 0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.464 -2.381 -1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.459 -5.734 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.034 -3.944 0.622 1.00 0.00 H new ATOM 783 N SER A 54 -7.375 -2.384 0.131 1.00 0.00 N ATOM 784 CA SER A 54 -7.618 -1.549 1.302 1.00 0.00 C ATOM 785 C SER A 54 -6.337 -0.851 1.747 1.00 0.00 C ATOM 786 O SER A 54 -5.225 -1.302 1.472 1.00 0.00 O ATOM 787 CB SER A 54 -8.177 -2.394 2.449 1.00 0.00 C ATOM 788 OG SER A 54 -9.587 -2.505 2.360 1.00 0.00 O ATOM 0 H SER A 54 -6.714 -3.145 0.286 1.00 0.00 H new ATOM 0 HA SER A 54 -8.350 -0.788 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.729 -3.387 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.904 -1.944 3.403 1.00 0.00 H new ATOM 0 HG SER A 54 -9.820 -3.255 1.774 1.00 0.00 H new ATOM 794 N PRO A 55 -6.495 0.280 2.452 1.00 0.00 N ATOM 795 CA PRO A 55 -5.363 1.066 2.952 1.00 0.00 C ATOM 796 C PRO A 55 -4.613 0.355 4.073 1.00 0.00 C ATOM 797 O PRO A 55 -3.450 0.654 4.341 1.00 0.00 O ATOM 798 CB PRO A 55 -6.022 2.344 3.476 1.00 0.00 C ATOM 799 CG PRO A 55 -7.416 1.940 3.812 1.00 0.00 C ATOM 800 CD PRO A 55 -7.791 0.877 2.817 1.00 0.00 C ATOM 0 HA PRO A 55 -4.616 1.242 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.499 2.729 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.009 3.133 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.477 1.559 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.095 2.791 3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.465 0.139 3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.298 1.299 1.949 1.00 0.00 H new ATOM 808 N GLU A 56 -5.287 -0.588 4.725 1.00 0.00 N ATOM 809 CA GLU A 56 -4.683 -1.341 5.818 1.00 0.00 C ATOM 810 C GLU A 56 -3.689 -2.370 5.286 1.00 0.00 C ATOM 811 O GLU A 56 -2.721 -2.721 5.961 1.00 0.00 O ATOM 812 CB GLU A 56 -5.764 -2.040 6.644 1.00 0.00 C ATOM 813 CG GLU A 56 -6.288 -1.200 7.797 1.00 0.00 C ATOM 814 CD GLU A 56 -6.928 -2.038 8.886 1.00 0.00 C ATOM 815 OE1 GLU A 56 -6.216 -2.864 9.495 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.141 -1.867 9.130 1.00 0.00 O ATOM 0 H GLU A 56 -6.251 -0.848 4.515 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.146 -0.639 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.595 -2.303 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.361 -2.973 7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.468 -0.623 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.018 -0.485 7.418 1.00 0.00 H new ATOM 823 N LEU A 57 -3.937 -2.850 4.072 1.00 0.00 N ATOM 824 CA LEU A 57 -3.065 -3.839 3.448 1.00 0.00 C ATOM 825 C LEU A 57 -1.695 -3.242 3.142 1.00 0.00 C ATOM 826 O LEU A 57 -0.663 -3.821 3.481 1.00 0.00 O ATOM 827 CB LEU A 57 -3.701 -4.370 2.163 1.00 0.00 C ATOM 828 CG LEU A 57 -4.587 -5.607 2.314 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.310 -5.908 1.010 1.00 0.00 C ATOM 830 CD2 LEU A 57 -3.759 -6.805 2.755 1.00 0.00 C ATOM 0 H LEU A 57 -4.734 -2.570 3.501 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.933 -4.664 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.297 -3.572 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.904 -4.602 1.456 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.334 -5.404 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.936 -6.791 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.934 -5.058 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.579 -6.091 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.406 -7.676 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.990 -7.010 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.288 -6.588 3.714 1.00 0.00 H new ATOM 842 N LYS A 58 -1.693 -2.079 2.499 1.00 0.00 N ATOM 843 CA LYS A 58 -0.451 -1.399 2.150 1.00 0.00 C ATOM 844 C LYS A 58 0.293 -0.948 3.402 1.00 0.00 C ATOM 845 O LYS A 58 1.524 -0.946 3.436 1.00 0.00 O ATOM 846 CB LYS A 58 -0.740 -0.194 1.253 1.00 0.00 C ATOM 847 CG LYS A 58 0.234 0.955 1.445 1.00 0.00 C ATOM 848 CD LYS A 58 -0.126 1.794 2.660 1.00 0.00 C ATOM 849 CE LYS A 58 0.206 3.262 2.442 1.00 0.00 C ATOM 850 NZ LYS A 58 0.291 4.009 3.727 1.00 0.00 N ATOM 0 H LYS A 58 -2.538 -1.587 2.209 1.00 0.00 H new ATOM 0 HA LYS A 58 0.180 -2.104 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.712 -0.512 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.751 0.161 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.244 0.562 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.236 1.584 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.190 1.688 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.413 1.424 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.154 3.345 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.555 3.716 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.682 4.957 3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.659 4.097 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.910 3.496 4.387 1.00 0.00 H new ATOM 864 N GLN A 59 -0.460 -0.568 4.428 1.00 0.00 N ATOM 865 CA GLN A 59 0.129 -0.116 5.683 1.00 0.00 C ATOM 866 C GLN A 59 1.076 -1.168 6.250 1.00 0.00 C ATOM 867 O GLN A 59 2.249 -0.892 6.498 1.00 0.00 O ATOM 868 CB GLN A 59 -0.967 0.203 6.701 1.00 0.00 C ATOM 869 CG GLN A 59 -1.627 1.555 6.481 1.00 0.00 C ATOM 870 CD GLN A 59 -0.974 2.661 7.287 1.00 0.00 C ATOM 871 OE1 GLN A 59 0.078 2.464 7.895 1.00 0.00 O ATOM 872 NE2 GLN A 59 -1.597 3.834 7.295 1.00 0.00 N ATOM 0 H GLN A 59 -1.480 -0.564 4.415 1.00 0.00 H new ATOM 0 HA GLN A 59 0.701 0.790 5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.729 -0.575 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.540 0.175 7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.583 1.808 5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.681 1.489 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.467 3.953 6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.205 4.616 7.820 1.00 0.00 H new ATOM 881 N GLU A 60 0.557 -2.375 6.454 1.00 0.00 N ATOM 882 CA GLU A 60 1.357 -3.469 6.993 1.00 0.00 C ATOM 883 C GLU A 60 2.559 -3.756 6.099 1.00 0.00 C ATOM 884 O GLU A 60 3.623 -4.151 6.577 1.00 0.00 O ATOM 885 CB GLU A 60 0.503 -4.730 7.141 1.00 0.00 C ATOM 886 CG GLU A 60 0.278 -5.469 5.832 1.00 0.00 C ATOM 887 CD GLU A 60 -0.046 -6.936 6.039 1.00 0.00 C ATOM 888 OE1 GLU A 60 -0.907 -7.239 6.892 1.00 0.00 O ATOM 889 OE2 GLU A 60 0.561 -7.780 5.347 1.00 0.00 O ATOM 0 H GLU A 60 -0.413 -2.620 6.254 1.00 0.00 H new ATOM 0 HA GLU A 60 1.721 -3.169 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.984 -5.403 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.463 -4.457 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.537 -4.994 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.170 -5.382 5.212 1.00 0.00 H new ATOM 896 N HIS A 61 2.382 -3.557 4.797 1.00 0.00 N ATOM 897 CA HIS A 61 3.451 -3.795 3.834 1.00 0.00 C ATOM 898 C HIS A 61 4.596 -2.807 4.039 1.00 0.00 C ATOM 899 O HIS A 61 5.750 -3.205 4.197 1.00 0.00 O ATOM 900 CB HIS A 61 2.915 -3.683 2.406 1.00 0.00 C ATOM 901 CG HIS A 61 3.979 -3.420 1.386 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.790 -4.410 0.872 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.363 -2.270 0.783 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.627 -3.880 -0.002 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.389 -2.583 -0.075 1.00 0.00 N ATOM 0 H HIS A 61 1.508 -3.231 4.384 1.00 0.00 H new ATOM 0 HA HIS A 61 3.831 -4.804 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.396 -4.606 2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.178 -2.881 2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.941 -1.289 0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.379 -4.417 -0.562 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.886 -1.921 -0.671 1.00 0.00 H new ATOM 913 N GLU A 62 4.268 -1.519 4.034 1.00 0.00 N ATOM 914 CA GLU A 62 5.270 -0.476 4.218 1.00 0.00 C ATOM 915 C GLU A 62 6.262 -0.860 5.312 1.00 0.00 C ATOM 916 O GLU A 62 7.474 -0.847 5.099 1.00 0.00 O ATOM 917 CB GLU A 62 4.597 0.853 4.568 1.00 0.00 C ATOM 918 CG GLU A 62 4.282 1.714 3.356 1.00 0.00 C ATOM 919 CD GLU A 62 3.191 2.731 3.631 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.250 2.402 4.383 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.279 3.855 3.094 1.00 0.00 O ATOM 0 H GLU A 62 3.317 -1.173 3.905 1.00 0.00 H new ATOM 0 HA GLU A 62 5.815 -0.363 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.673 0.651 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.246 1.413 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.186 2.233 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.976 1.073 2.529 1.00 0.00 H new ATOM 928 N SER A 63 5.737 -1.202 6.484 1.00 0.00 N ATOM 929 CA SER A 63 6.575 -1.587 7.614 1.00 0.00 C ATOM 930 C SER A 63 7.623 -2.610 7.189 1.00 0.00 C ATOM 931 O SER A 63 8.740 -2.625 7.708 1.00 0.00 O ATOM 932 CB SER A 63 5.715 -2.159 8.743 1.00 0.00 C ATOM 933 OG SER A 63 6.382 -2.068 9.989 1.00 0.00 O ATOM 0 H SER A 63 4.735 -1.220 6.676 1.00 0.00 H new ATOM 0 HA SER A 63 7.088 -0.695 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.769 -1.619 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.476 -3.201 8.530 1.00 0.00 H new ATOM 0 HG SER A 63 5.811 -2.439 10.694 1.00 0.00 H new ATOM 939 N LYS A 64 7.256 -3.465 6.242 1.00 0.00 N ATOM 940 CA LYS A 64 8.164 -4.493 5.744 1.00 0.00 C ATOM 941 C LYS A 64 8.363 -4.360 4.238 1.00 0.00 C ATOM 942 O LYS A 64 8.634 -5.343 3.548 1.00 0.00 O ATOM 943 CB LYS A 64 7.622 -5.885 6.077 1.00 0.00 C ATOM 944 CG LYS A 64 6.150 -6.060 5.746 1.00 0.00 C ATOM 945 CD LYS A 64 5.950 -6.493 4.304 1.00 0.00 C ATOM 946 CE LYS A 64 6.484 -7.897 4.064 1.00 0.00 C ATOM 947 NZ LYS A 64 6.022 -8.451 2.761 1.00 0.00 N ATOM 0 H LYS A 64 6.335 -3.467 5.803 1.00 0.00 H new ATOM 0 HA LYS A 64 9.129 -4.359 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.200 -6.631 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.773 -6.080 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.712 -6.802 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.623 -5.122 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.889 -6.459 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.455 -5.792 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.574 -7.880 4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.160 -8.552 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.407 -9.409 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.983 -8.491 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.353 -7.840 1.987 1.00 0.00 H new ATOM 961 N CYS A 65 8.227 -3.138 3.733 1.00 0.00 N ATOM 962 CA CYS A 65 8.393 -2.875 2.309 1.00 0.00 C ATOM 963 C CYS A 65 9.871 -2.826 1.933 1.00 0.00 C ATOM 964 O CYS A 65 10.590 -1.907 2.323 1.00 0.00 O ATOM 965 CB CYS A 65 7.715 -1.557 1.930 1.00 0.00 C ATOM 966 SG CYS A 65 8.130 -0.962 0.258 1.00 0.00 S ATOM 0 H CYS A 65 8.002 -2.314 4.290 1.00 0.00 H new ATOM 0 HA CYS A 65 7.923 -3.689 1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.635 -1.683 2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.996 -0.794 2.656 1.00 0.00 H new ATOM 0 HG CYS A 65 7.964 -1.925 -0.599 1.00 0.00 H new ATOM 971 N GLU A 66 10.317 -3.822 1.174 1.00 0.00 N ATOM 972 CA GLU A 66 11.709 -3.892 0.746 1.00 0.00 C ATOM 973 C GLU A 66 12.137 -2.592 0.072 1.00 0.00 C ATOM 974 O GLU A 66 13.275 -2.146 0.225 1.00 0.00 O ATOM 975 CB GLU A 66 11.913 -5.067 -0.212 1.00 0.00 C ATOM 976 CG GLU A 66 10.787 -5.234 -1.219 1.00 0.00 C ATOM 977 CD GLU A 66 9.678 -6.135 -0.709 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.965 -7.005 0.140 1.00 0.00 O ATOM 979 OE2 GLU A 66 8.525 -5.971 -1.160 1.00 0.00 O ATOM 0 H GLU A 66 9.735 -4.591 0.843 1.00 0.00 H new ATOM 0 HA GLU A 66 12.327 -4.043 1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.852 -4.929 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.010 -5.985 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.373 -4.255 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.190 -5.647 -2.144 1.00 0.00 H new ATOM 986 N TYR A 67 11.219 -1.989 -0.674 1.00 0.00 N ATOM 987 CA TYR A 67 11.501 -0.741 -1.374 1.00 0.00 C ATOM 988 C TYR A 67 11.695 0.406 -0.387 1.00 0.00 C ATOM 989 O TYR A 67 12.414 1.366 -0.664 1.00 0.00 O ATOM 990 CB TYR A 67 10.366 -0.408 -2.344 1.00 0.00 C ATOM 991 CG TYR A 67 10.595 -0.928 -3.745 1.00 0.00 C ATOM 992 CD1 TYR A 67 11.021 -2.233 -3.962 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.384 -0.115 -4.852 1.00 0.00 C ATOM 994 CE1 TYR A 67 11.232 -2.711 -5.241 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.591 -0.586 -6.134 1.00 0.00 C ATOM 996 CZ TYR A 67 11.015 -1.884 -6.323 1.00 0.00 C ATOM 997 OH TYR A 67 11.223 -2.358 -7.598 1.00 0.00 O ATOM 0 H TYR A 67 10.272 -2.344 -0.810 1.00 0.00 H new ATOM 0 HA TYR A 67 12.425 -0.871 -1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.436 -0.825 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.238 0.674 -2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.190 -2.884 -3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.052 0.903 -4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.565 -3.727 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.422 0.059 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 67 11.024 -1.651 -8.246 1.00 0.00 H new ATOM 1007 N LYS A 68 11.047 0.299 0.769 1.00 0.00 N ATOM 1008 CA LYS A 68 11.148 1.324 1.800 1.00 0.00 C ATOM 1009 C LYS A 68 12.606 1.611 2.143 1.00 0.00 C ATOM 1010 O LYS A 68 13.059 2.754 2.071 1.00 0.00 O ATOM 1011 CB LYS A 68 10.394 0.887 3.058 1.00 0.00 C ATOM 1012 CG LYS A 68 10.396 1.930 4.162 1.00 0.00 C ATOM 1013 CD LYS A 68 9.982 1.331 5.496 1.00 0.00 C ATOM 1014 CE LYS A 68 9.536 2.406 6.475 1.00 0.00 C ATOM 1015 NZ LYS A 68 8.073 2.668 6.384 1.00 0.00 N ATOM 0 H LYS A 68 10.446 -0.488 1.014 1.00 0.00 H new ATOM 0 HA LYS A 68 10.698 2.238 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.363 0.655 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.840 -0.032 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.391 2.365 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.716 2.740 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.171 0.620 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.817 0.774 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.787 2.099 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.083 3.328 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.707 2.923 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.901 3.451 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.588 1.813 6.044 1.00 0.00 H new ATOM 1029 N LYS A 69 13.339 0.566 2.514 1.00 0.00 N ATOM 1030 CA LYS A 69 14.747 0.704 2.864 1.00 0.00 C ATOM 1031 C LYS A 69 15.568 1.146 1.657 1.00 0.00 C ATOM 1032 O LYS A 69 16.661 1.695 1.804 1.00 0.00 O ATOM 1033 CB LYS A 69 15.291 -0.620 3.407 1.00 0.00 C ATOM 1034 CG LYS A 69 15.011 -1.809 2.503 1.00 0.00 C ATOM 1035 CD LYS A 69 16.050 -2.903 2.683 1.00 0.00 C ATOM 1036 CE LYS A 69 17.184 -2.764 1.679 1.00 0.00 C ATOM 1037 NZ LYS A 69 18.304 -1.943 2.217 1.00 0.00 N ATOM 0 H LYS A 69 12.980 -0.386 2.580 1.00 0.00 H new ATOM 0 HA LYS A 69 14.830 1.468 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.368 -0.529 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.853 -0.808 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.020 -2.208 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.002 -1.482 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.452 -2.862 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.577 -3.878 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.555 -3.753 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.805 -2.307 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.207 -2.304 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.181 -0.953 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.307 -1.998 3.256 1.00 0.00 H new ATOM 1051 N LEU A 70 15.034 0.905 0.464 1.00 0.00 N ATOM 1052 CA LEU A 70 15.717 1.280 -0.769 1.00 0.00 C ATOM 1053 C LEU A 70 15.317 2.685 -1.207 1.00 0.00 C ATOM 1054 O LEU A 70 15.855 3.223 -2.176 1.00 0.00 O ATOM 1055 CB LEU A 70 15.395 0.277 -1.878 1.00 0.00 C ATOM 1056 CG LEU A 70 16.037 -1.104 -1.742 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.509 -2.046 -2.812 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.553 -0.998 -1.822 1.00 0.00 C ATOM 0 H LEU A 70 14.131 0.452 0.325 1.00 0.00 H new ATOM 0 HA LEU A 70 16.790 1.270 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.313 0.150 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.705 0.707 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 70 15.773 -1.512 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.977 -3.024 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.429 -2.147 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.742 -1.644 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.993 -1.990 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.838 -0.569 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.916 -0.359 -1.017 1.00 0.00 H new ATOM 1070 N THR A 71 14.371 3.278 -0.485 1.00 0.00 N ATOM 1071 CA THR A 71 13.900 4.621 -0.798 1.00 0.00 C ATOM 1072 C THR A 71 14.594 5.663 0.071 1.00 0.00 C ATOM 1073 O THR A 71 14.345 5.748 1.274 1.00 0.00 O ATOM 1074 CB THR A 71 12.376 4.741 -0.606 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.704 3.745 -1.385 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.887 6.124 -1.011 1.00 0.00 C ATOM 0 H THR A 71 13.916 2.849 0.321 1.00 0.00 H new ATOM 0 HA THR A 71 14.142 4.805 -1.845 1.00 0.00 H new ATOM 0 HB THR A 71 12.152 4.588 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.811 2.869 -0.959 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.808 6.185 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.379 6.878 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.123 6.301 -2.060 1.00 0.00 H new ATOM 1084 N CYS A 72 15.465 6.456 -0.544 1.00 0.00 N ATOM 1085 CA CYS A 72 16.195 7.494 0.173 1.00 0.00 C ATOM 1086 C CYS A 72 15.235 8.505 0.793 1.00 0.00 C ATOM 1087 O CYS A 72 14.949 9.548 0.204 1.00 0.00 O ATOM 1088 CB CYS A 72 17.166 8.207 -0.770 1.00 0.00 C ATOM 1089 SG CYS A 72 18.348 9.308 0.074 1.00 0.00 S ATOM 0 H CYS A 72 15.682 6.399 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 72 16.760 7.019 0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.722 7.459 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.593 8.790 -1.491 1.00 0.00 H new ATOM 0 HG CYS A 72 18.002 9.443 1.320 1.00 0.00 H new ATOM 1094 N LEU A 73 14.742 8.189 1.985 1.00 0.00 N ATOM 1095 CA LEU A 73 13.814 9.070 2.687 1.00 0.00 C ATOM 1096 C LEU A 73 14.291 10.517 2.634 1.00 0.00 C ATOM 1097 O LEU A 73 13.485 11.445 2.577 1.00 0.00 O ATOM 1098 CB LEU A 73 13.659 8.625 4.142 1.00 0.00 C ATOM 1099 CG LEU A 73 13.334 7.147 4.361 1.00 0.00 C ATOM 1100 CD1 LEU A 73 13.370 6.806 5.842 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.976 6.805 3.766 1.00 0.00 C ATOM 0 H LEU A 73 14.969 7.330 2.486 1.00 0.00 H new ATOM 0 HA LEU A 73 12.846 9.008 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.583 8.855 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.871 9.222 4.601 1.00 0.00 H new ATOM 0 HG LEU A 73 14.091 6.550 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.136 5.750 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.364 7.012 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.635 7.412 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.762 5.749 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.206 7.411 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.986 7.010 2.695 1.00 0.00 H new ATOM 1113 N GLU A 74 15.608 10.702 2.650 1.00 0.00 N ATOM 1114 CA GLU A 74 16.192 12.037 2.603 1.00 0.00 C ATOM 1115 C GLU A 74 15.577 12.860 1.475 1.00 0.00 C ATOM 1116 O GLU A 74 14.987 13.915 1.711 1.00 0.00 O ATOM 1117 CB GLU A 74 17.708 11.948 2.416 1.00 0.00 C ATOM 1118 CG GLU A 74 18.407 11.129 3.488 1.00 0.00 C ATOM 1119 CD GLU A 74 18.052 11.580 4.891 1.00 0.00 C ATOM 1120 OE1 GLU A 74 18.132 12.797 5.161 1.00 0.00 O ATOM 1121 OE2 GLU A 74 17.694 10.717 5.719 1.00 0.00 O ATOM 0 H GLU A 74 16.290 9.945 2.695 1.00 0.00 H new ATOM 0 HA GLU A 74 15.978 12.533 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.920 11.510 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.125 12.955 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.140 10.079 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.486 11.201 3.349 1.00 0.00 H new ATOM 1128 N CYS A 75 15.719 12.371 0.248 1.00 0.00 N ATOM 1129 CA CYS A 75 15.180 13.060 -0.918 1.00 0.00 C ATOM 1130 C CYS A 75 14.182 12.175 -1.660 1.00 0.00 C ATOM 1131 O CYS A 75 14.038 12.271 -2.878 1.00 0.00 O ATOM 1132 CB CYS A 75 16.311 13.474 -1.861 1.00 0.00 C ATOM 1133 SG CYS A 75 17.228 12.074 -2.581 1.00 0.00 S ATOM 0 H CYS A 75 16.203 11.499 0.035 1.00 0.00 H new ATOM 0 HA CYS A 75 14.660 13.953 -0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.894 14.076 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 75 17.009 14.110 -1.317 1.00 0.00 H new ATOM 0 HG CYS A 75 17.529 11.224 -1.644 1.00 0.00 H new ATOM 1138 N MET A 76 13.496 11.314 -0.916 1.00 0.00 N ATOM 1139 CA MET A 76 12.512 10.412 -1.502 1.00 0.00 C ATOM 1140 C MET A 76 12.986 9.897 -2.857 1.00 0.00 C ATOM 1141 O MET A 76 12.288 10.032 -3.862 1.00 0.00 O ATOM 1142 CB MET A 76 11.166 11.124 -1.657 1.00 0.00 C ATOM 1143 CG MET A 76 10.418 11.300 -0.345 1.00 0.00 C ATOM 1144 SD MET A 76 9.253 9.961 -0.025 1.00 0.00 S ATOM 1145 CE MET A 76 10.377 8.601 0.282 1.00 0.00 C ATOM 0 H MET A 76 13.604 11.222 0.094 1.00 0.00 H new ATOM 0 HA MET A 76 12.391 9.561 -0.832 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.332 12.103 -2.106 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.542 10.558 -2.349 1.00 0.00 H new ATOM 0 HG2 MET A 76 11.136 11.355 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.880 12.248 -0.362 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.843 7.793 0.782 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.778 8.239 -0.665 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.196 8.942 0.916 1.00 0.00 H new ATOM 1155 N ARG A 77 14.176 9.306 -2.877 1.00 0.00 N ATOM 1156 CA ARG A 77 14.744 8.771 -4.109 1.00 0.00 C ATOM 1157 C ARG A 77 14.904 7.256 -4.021 1.00 0.00 C ATOM 1158 O ARG A 77 15.721 6.751 -3.251 1.00 0.00 O ATOM 1159 CB ARG A 77 16.098 9.423 -4.397 1.00 0.00 C ATOM 1160 CG ARG A 77 16.009 10.633 -5.311 1.00 0.00 C ATOM 1161 CD ARG A 77 17.335 10.906 -6.004 1.00 0.00 C ATOM 1162 NE ARG A 77 18.153 11.863 -5.263 1.00 0.00 N ATOM 1163 CZ ARG A 77 18.035 13.180 -5.384 1.00 0.00 C ATOM 1164 NH1 ARG A 77 17.137 13.695 -6.212 1.00 0.00 N ATOM 1165 NH2 ARG A 77 18.816 13.985 -4.676 1.00 0.00 N ATOM 0 H ARG A 77 14.766 9.185 -2.054 1.00 0.00 H new ATOM 0 HA ARG A 77 14.058 8.999 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.555 9.723 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.759 8.684 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.233 10.469 -6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.713 11.507 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.884 9.971 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.148 11.289 -7.007 1.00 0.00 H new ATOM 0 HE ARG A 77 18.854 11.499 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.535 13.079 -6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.048 14.707 -6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.508 13.592 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.724 14.997 -4.770 1.00 0.00 H new ATOM 1179 N THR A 78 14.119 6.536 -4.816 1.00 0.00 N ATOM 1180 CA THR A 78 14.172 5.080 -4.827 1.00 0.00 C ATOM 1181 C THR A 78 15.185 4.575 -5.848 1.00 0.00 C ATOM 1182 O THR A 78 15.213 5.035 -6.990 1.00 0.00 O ATOM 1183 CB THR A 78 12.793 4.469 -5.143 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.766 5.207 -4.472 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.737 3.010 -4.718 1.00 0.00 C ATOM 0 H THR A 78 13.439 6.938 -5.461 1.00 0.00 H new ATOM 0 HA THR A 78 14.479 4.768 -3.829 1.00 0.00 H new ATOM 0 HB THR A 78 12.634 4.523 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.892 4.814 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.754 2.601 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.501 2.446 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.915 2.936 -3.645 1.00 0.00 H new ATOM 1193 N PHE A 79 16.015 3.624 -5.431 1.00 0.00 N ATOM 1194 CA PHE A 79 17.030 3.056 -6.310 1.00 0.00 C ATOM 1195 C PHE A 79 16.727 1.593 -6.618 1.00 0.00 C ATOM 1196 O PHE A 79 15.723 1.045 -6.160 1.00 0.00 O ATOM 1197 CB PHE A 79 18.415 3.178 -5.671 1.00 0.00 C ATOM 1198 CG PHE A 79 18.916 4.592 -5.592 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.260 5.531 -4.813 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.044 4.982 -6.297 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.719 6.833 -4.739 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.508 6.282 -6.227 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.845 7.208 -5.446 1.00 0.00 C ATOM 0 H PHE A 79 16.004 3.231 -4.490 1.00 0.00 H new ATOM 0 HA PHE A 79 17.018 3.616 -7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.381 2.756 -4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.125 2.581 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.380 5.243 -4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.567 4.261 -6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.198 7.556 -4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.388 6.573 -6.782 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.206 8.224 -5.388 1.00 0.00 H new ATOM 1213 N LYS A 80 17.601 0.965 -7.396 1.00 0.00 N ATOM 1214 CA LYS A 80 17.429 -0.436 -7.766 1.00 0.00 C ATOM 1215 C LYS A 80 17.875 -1.356 -6.634 1.00 0.00 C ATOM 1216 O LYS A 80 17.176 -2.305 -6.281 1.00 0.00 O ATOM 1217 CB LYS A 80 18.223 -0.750 -9.036 1.00 0.00 C ATOM 1218 CG LYS A 80 17.898 -2.107 -9.636 1.00 0.00 C ATOM 1219 CD LYS A 80 16.514 -2.123 -10.262 1.00 0.00 C ATOM 1220 CE LYS A 80 16.120 -3.523 -10.709 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.779 -3.903 -11.989 1.00 0.00 N ATOM 0 H LYS A 80 18.437 1.404 -7.783 1.00 0.00 H new ATOM 0 HA LYS A 80 16.370 -0.609 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.025 0.023 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.288 -0.708 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.643 -2.360 -10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.957 -2.872 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.784 -1.751 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.493 -1.447 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.390 -4.241 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.038 -3.575 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.485 -4.863 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.502 -3.233 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.812 -3.878 -11.868 1.00 0.00 H new ATOM 1235 N SER A 81 19.043 -1.067 -6.068 1.00 0.00 N ATOM 1236 CA SER A 81 19.583 -1.870 -4.977 1.00 0.00 C ATOM 1237 C SER A 81 20.013 -0.984 -3.811 1.00 0.00 C ATOM 1238 O SER A 81 19.953 0.243 -3.895 1.00 0.00 O ATOM 1239 CB SER A 81 20.771 -2.700 -5.466 1.00 0.00 C ATOM 1240 OG SER A 81 21.631 -1.927 -6.285 1.00 0.00 O ATOM 0 H SER A 81 19.633 -0.283 -6.347 1.00 0.00 H new ATOM 0 HA SER A 81 18.798 -2.542 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.327 -3.084 -4.611 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.410 -3.563 -6.025 1.00 0.00 H new ATOM 0 HG SER A 81 22.383 -2.480 -6.583 1.00 0.00 H new ATOM 1246 N SER A 82 20.447 -1.615 -2.725 1.00 0.00 N ATOM 1247 CA SER A 82 20.884 -0.886 -1.541 1.00 0.00 C ATOM 1248 C SER A 82 22.320 -0.397 -1.703 1.00 0.00 C ATOM 1249 O SER A 82 22.685 0.669 -1.206 1.00 0.00 O ATOM 1250 CB SER A 82 20.773 -1.774 -0.299 1.00 0.00 C ATOM 1251 OG SER A 82 21.745 -2.804 -0.320 1.00 0.00 O ATOM 0 H SER A 82 20.505 -2.630 -2.641 1.00 0.00 H new ATOM 0 HA SER A 82 20.235 -0.019 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.900 -1.168 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.776 -2.212 -0.249 1.00 0.00 H new ATOM 0 HG SER A 82 21.654 -3.356 0.485 1.00 0.00 H new ATOM 1257 N PHE A 83 23.131 -1.184 -2.401 1.00 0.00 N ATOM 1258 CA PHE A 83 24.528 -0.833 -2.629 1.00 0.00 C ATOM 1259 C PHE A 83 24.640 0.418 -3.496 1.00 0.00 C ATOM 1260 O PHE A 83 25.547 1.231 -3.317 1.00 0.00 O ATOM 1261 CB PHE A 83 25.266 -1.996 -3.295 1.00 0.00 C ATOM 1262 CG PHE A 83 26.612 -1.617 -3.843 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.705 -1.482 -3.001 1.00 0.00 C ATOM 1264 CD2 PHE A 83 26.785 -1.396 -5.200 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.944 -1.132 -3.503 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.023 -1.047 -5.707 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.104 -0.916 -4.857 1.00 0.00 C ATOM 0 H PHE A 83 22.845 -2.069 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 83 24.987 -0.626 -1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.391 -2.800 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.651 -2.390 -4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.587 -1.652 -1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 83 25.943 -1.498 -5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.787 -1.027 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.145 -0.877 -6.767 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.072 -0.645 -5.251 1.00 0.00 H new ATOM 1277 N SER A 84 23.712 0.564 -4.436 1.00 0.00 N ATOM 1278 CA SER A 84 23.709 1.713 -5.334 1.00 0.00 C ATOM 1279 C SER A 84 23.364 2.992 -4.578 1.00 0.00 C ATOM 1280 O SER A 84 24.162 3.928 -4.524 1.00 0.00 O ATOM 1281 CB SER A 84 22.709 1.494 -6.472 1.00 0.00 C ATOM 1282 OG SER A 84 23.125 2.161 -7.651 1.00 0.00 O ATOM 0 H SER A 84 22.953 -0.098 -4.596 1.00 0.00 H new ATOM 0 HA SER A 84 24.709 1.818 -5.754 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.607 0.427 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.726 1.858 -6.172 1.00 0.00 H new ATOM 0 HG SER A 84 22.471 2.004 -8.364 1.00 0.00 H new ATOM 1288 N ILE A 85 22.170 3.025 -3.996 1.00 0.00 N ATOM 1289 CA ILE A 85 21.719 4.188 -3.243 1.00 0.00 C ATOM 1290 C ILE A 85 22.699 4.533 -2.127 1.00 0.00 C ATOM 1291 O ILE A 85 22.972 5.706 -1.867 1.00 0.00 O ATOM 1292 CB ILE A 85 20.324 3.958 -2.632 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.838 5.223 -1.923 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.356 2.782 -1.666 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.381 5.168 -1.519 1.00 0.00 C ATOM 0 H ILE A 85 21.497 2.259 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 85 21.665 5.018 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 85 19.626 3.724 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.447 5.388 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.993 6.080 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.363 2.632 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.663 1.882 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.065 2.989 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.106 6.098 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.762 5.034 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.224 4.332 -0.837 1.00 0.00 H new ATOM 1307 N TRP A 86 23.227 3.506 -1.471 1.00 0.00 N ATOM 1308 CA TRP A 86 24.179 3.701 -0.384 1.00 0.00 C ATOM 1309 C TRP A 86 25.206 4.768 -0.744 1.00 0.00 C ATOM 1310 O TRP A 86 25.498 5.656 0.056 1.00 0.00 O ATOM 1311 CB TRP A 86 24.886 2.385 -0.056 1.00 0.00 C ATOM 1312 CG TRP A 86 25.790 2.477 1.136 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.446 2.873 2.397 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.188 2.169 1.177 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.546 2.830 3.220 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.627 2.401 2.496 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.111 1.719 0.229 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.947 2.197 2.887 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.421 1.518 0.619 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.830 1.756 1.938 1.00 0.00 C ATOM 0 H TRP A 86 23.012 2.530 -1.673 1.00 0.00 H new ATOM 0 HA TRP A 86 23.627 4.037 0.493 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.137 1.614 0.124 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.469 2.068 -0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.455 3.175 2.703 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.556 3.077 4.209 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.806 1.532 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.264 2.380 3.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.143 1.171 -0.106 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.861 1.588 2.211 1.00 0.00 H new ATOM 1331 N ARG A 87 25.751 4.675 -1.953 1.00 0.00 N ATOM 1332 CA ARG A 87 26.746 5.632 -2.418 1.00 0.00 C ATOM 1333 C ARG A 87 26.145 7.030 -2.531 1.00 0.00 C ATOM 1334 O ARG A 87 26.799 8.026 -2.220 1.00 0.00 O ATOM 1335 CB ARG A 87 27.310 5.197 -3.772 1.00 0.00 C ATOM 1336 CG ARG A 87 28.017 3.852 -3.733 1.00 0.00 C ATOM 1337 CD ARG A 87 29.484 4.004 -3.364 1.00 0.00 C ATOM 1338 NE ARG A 87 30.269 4.566 -4.460 1.00 0.00 N ATOM 1339 CZ ARG A 87 30.586 3.891 -5.559 1.00 0.00 C ATOM 1340 NH1 ARG A 87 30.186 2.636 -5.708 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.303 4.472 -6.512 1.00 0.00 N ATOM 0 H ARG A 87 25.519 3.946 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 87 27.555 5.661 -1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.497 5.150 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 87 28.009 5.955 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.524 3.202 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.934 3.368 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.573 4.647 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.891 3.031 -3.088 1.00 0.00 H new ATOM 0 HE ARG A 87 30.592 5.530 -4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 87 29.634 2.187 -4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 87 30.431 2.120 -6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.611 5.438 -6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 87 31.546 3.953 -7.356 1.00 0.00 H new ATOM 1355 N HIS A 88 24.895 7.097 -2.980 1.00 0.00 N ATOM 1356 CA HIS A 88 24.205 8.373 -3.134 1.00 0.00 C ATOM 1357 C HIS A 88 23.918 9.003 -1.774 1.00 0.00 C ATOM 1358 O HIS A 88 23.745 10.216 -1.667 1.00 0.00 O ATOM 1359 CB HIS A 88 22.900 8.180 -3.906 1.00 0.00 C ATOM 1360 CG HIS A 88 21.917 9.293 -3.707 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.954 10.468 -4.428 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.864 9.403 -2.864 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.968 11.254 -4.035 1.00 0.00 C ATOM 1364 NE2 HIS A 88 20.291 10.631 -3.087 1.00 0.00 N ATOM 0 H HIS A 88 24.340 6.283 -3.243 1.00 0.00 H new ATOM 0 HA HIS A 88 24.855 9.045 -3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.126 8.091 -4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.441 7.241 -3.598 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.536 8.663 -2.149 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.752 12.239 -4.423 1.00 0.00 H new ATOM 0 HE2 HIS A 88 19.475 11.002 -2.600 1.00 0.00 H new ATOM 1372 N GLN A 89 23.868 8.170 -0.740 1.00 0.00 N ATOM 1373 CA GLN A 89 23.599 8.646 0.612 1.00 0.00 C ATOM 1374 C GLN A 89 24.899 8.857 1.382 1.00 0.00 C ATOM 1375 O GLN A 89 24.940 9.609 2.356 1.00 0.00 O ATOM 1376 CB GLN A 89 22.706 7.653 1.357 1.00 0.00 C ATOM 1377 CG GLN A 89 21.369 7.409 0.677 1.00 0.00 C ATOM 1378 CD GLN A 89 20.490 6.443 1.448 1.00 0.00 C ATOM 1379 OE1 GLN A 89 20.568 5.229 1.259 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.646 6.979 2.322 1.00 0.00 N ATOM 0 H GLN A 89 24.010 7.163 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 89 23.082 9.603 0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.234 6.704 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.529 8.023 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.846 8.358 0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.542 7.017 -0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.615 7.991 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.029 6.379 2.869 1.00 0.00 H new ATOM 1389 N VAL A 90 25.959 8.188 0.940 1.00 0.00 N ATOM 1390 CA VAL A 90 27.260 8.303 1.587 1.00 0.00 C ATOM 1391 C VAL A 90 28.133 9.339 0.888 1.00 0.00 C ATOM 1392 O VAL A 90 29.050 9.898 1.487 1.00 0.00 O ATOM 1393 CB VAL A 90 28.000 6.952 1.604 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.425 7.130 2.103 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.248 5.944 2.461 1.00 0.00 C ATOM 0 H VAL A 90 25.942 7.560 0.136 1.00 0.00 H new ATOM 0 HA VAL A 90 27.075 8.621 2.613 1.00 0.00 H new ATOM 0 HB VAL A 90 28.043 6.568 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.932 6.165 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.958 7.816 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.408 7.536 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.785 4.995 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.172 6.319 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.248 5.795 2.054 1.00 0.00 H new ATOM 1405 N GLU A 91 27.839 9.590 -0.385 1.00 0.00 N ATOM 1406 CA GLU A 91 28.598 10.560 -1.166 1.00 0.00 C ATOM 1407 C GLU A 91 27.934 11.933 -1.122 1.00 0.00 C ATOM 1408 O GLU A 91 28.604 12.955 -0.973 1.00 0.00 O ATOM 1409 CB GLU A 91 28.727 10.090 -2.616 1.00 0.00 C ATOM 1410 CG GLU A 91 29.573 8.837 -2.777 1.00 0.00 C ATOM 1411 CD GLU A 91 30.297 8.790 -4.109 1.00 0.00 C ATOM 1412 OE1 GLU A 91 29.702 9.209 -5.124 1.00 0.00 O ATOM 1413 OE2 GLU A 91 31.459 8.333 -4.135 1.00 0.00 O ATOM 0 H GLU A 91 27.082 9.136 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 91 29.593 10.643 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.732 9.900 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 91 29.163 10.892 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.303 8.789 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.935 7.958 -2.683 1.00 0.00 H new ATOM 1420 N VAL A 92 26.611 11.949 -1.253 1.00 0.00 N ATOM 1421 CA VAL A 92 25.855 13.196 -1.228 1.00 0.00 C ATOM 1422 C VAL A 92 25.470 13.576 0.197 1.00 0.00 C ATOM 1423 O VAL A 92 25.945 14.577 0.734 1.00 0.00 O ATOM 1424 CB VAL A 92 24.579 13.095 -2.085 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.887 14.447 -2.171 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.909 12.566 -3.472 1.00 0.00 C ATOM 0 H VAL A 92 26.041 11.113 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 92 26.502 13.968 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 92 23.895 12.393 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.988 14.357 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.615 14.781 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.562 15.173 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.996 12.501 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.611 13.241 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 92 25.357 11.576 -3.387 1.00 0.00 H new ATOM 1436 N HIS A 93 24.605 12.770 0.805 1.00 0.00 N ATOM 1437 CA HIS A 93 24.156 13.022 2.170 1.00 0.00 C ATOM 1438 C HIS A 93 25.251 12.677 3.174 1.00 0.00 C ATOM 1439 O HIS A 93 25.278 13.209 4.283 1.00 0.00 O ATOM 1440 CB HIS A 93 22.896 12.210 2.472 1.00 0.00 C ATOM 1441 CG HIS A 93 21.749 12.522 1.561 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.744 13.406 1.892 1.00 0.00 N ATOM 1443 CD2 HIS A 93 21.451 12.063 0.323 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.877 13.477 0.897 1.00 0.00 C ATOM 1445 NE2 HIS A 93 20.284 12.671 -0.067 1.00 0.00 N ATOM 0 H HIS A 93 24.201 11.938 0.375 1.00 0.00 H new ATOM 0 HA HIS A 93 23.926 14.083 2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 93 23.131 11.148 2.396 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.592 12.396 3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 93 22.025 11.351 -0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.988 14.089 0.876 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.808 12.524 -0.957 1.00 0.00 H new ATOM 1453 N ASN A 94 26.151 11.783 2.778 1.00 0.00 N ATOM 1454 CA ASN A 94 27.247 11.367 3.645 1.00 0.00 C ATOM 1455 C ASN A 94 26.720 10.852 4.981 1.00 0.00 C ATOM 1456 O ASN A 94 27.125 11.325 6.042 1.00 0.00 O ATOM 1457 CB ASN A 94 28.211 12.532 3.879 1.00 0.00 C ATOM 1458 CG ASN A 94 29.314 12.183 4.860 1.00 0.00 C ATOM 1459 OD1 ASN A 94 29.547 11.011 5.156 1.00 0.00 O ATOM 1460 ND2 ASN A 94 29.997 13.201 5.368 1.00 0.00 N ATOM 0 H ASN A 94 26.143 11.333 1.863 1.00 0.00 H new ATOM 0 HA ASN A 94 27.781 10.556 3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.655 12.829 2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.654 13.391 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 94 30.751 13.028 6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 94 29.768 14.156 5.093 1.00 0.00 H new ATOM 1467 N GLN A 95 25.814 9.882 4.919 1.00 0.00 N ATOM 1468 CA GLN A 95 25.231 9.303 6.124 1.00 0.00 C ATOM 1469 C GLN A 95 25.652 7.847 6.287 1.00 0.00 C ATOM 1470 O GLN A 95 25.051 6.947 5.701 1.00 0.00 O ATOM 1471 CB GLN A 95 23.705 9.403 6.076 1.00 0.00 C ATOM 1472 CG GLN A 95 23.159 10.671 6.711 1.00 0.00 C ATOM 1473 CD GLN A 95 23.398 10.725 8.207 1.00 0.00 C ATOM 1474 OE1 GLN A 95 23.491 9.691 8.870 1.00 0.00 O ATOM 1475 NE2 GLN A 95 23.500 11.933 8.748 1.00 0.00 N ATOM 0 H GLN A 95 25.468 9.480 4.048 1.00 0.00 H new ATOM 0 HA GLN A 95 25.598 9.866 6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.379 9.357 5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.276 8.539 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.625 11.537 6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.089 10.739 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 95 23.417 12.763 8.161 1.00 0.00 H new ATOM 0 HE22 GLN A 95 23.662 12.031 9.750 1.00 0.00 H new ATOM 1484 N ASN A 96 26.690 7.622 7.087 1.00 0.00 N ATOM 1485 CA ASN A 96 27.192 6.274 7.327 1.00 0.00 C ATOM 1486 C ASN A 96 26.914 5.837 8.762 1.00 0.00 C ATOM 1487 O ASN A 96 27.782 5.931 9.629 1.00 0.00 O ATOM 1488 CB ASN A 96 28.694 6.209 7.044 1.00 0.00 C ATOM 1489 CG ASN A 96 29.391 7.529 7.313 1.00 0.00 C ATOM 1490 OD1 ASN A 96 29.850 8.201 6.390 1.00 0.00 O ATOM 1491 ND2 ASN A 96 29.472 7.907 8.584 1.00 0.00 N ATOM 0 H ASN A 96 27.199 8.356 7.580 1.00 0.00 H new ATOM 0 HA ASN A 96 26.672 5.594 6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 96 29.144 5.431 7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 96 28.853 5.923 6.004 1.00 0.00 H new ATOM 0 HD21 ASN A 96 29.929 8.786 8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 96 29.077 7.318 9.317 1.00 0.00 H new