USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 40 ASN : amide:sc= -2.87! C(o=-6.4!,f=-14!) USER MOD Set 1.2: A 61 HIS : no HE2:sc= -4.12 K(o=-6.4,f=-9.1!) USER MOD Set 1.3: A 72 THR OG1 : rot -18:sc= 0.585 USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 75 THR OG1 : rot 44:sc= 0.0191 USER MOD Single : A 1 GLU N :NH3+ -166:sc= 0.501 (180deg=0.385) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot -43:sc= 0.962 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= -0.871 (180deg=-0.908) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -7.71! C(o=-7.7!,f=-19!) USER MOD Single : A 34 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.07) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= -0.28 (180deg=-0.674) USER MOD Single : A 48 ASN : amide:sc= -4.54! C(o=-4.5!,f=-22!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 94:sc= 1.25 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 65:sc= 0.959 USER MOD Single : A 60 SER OG : rot 66:sc= -2.36! USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -0.0383 (180deg=-0.443) USER MOD Single : A 63 GLN : amide:sc= -0.0733 K(o=-0.073,f=-2.5!) USER MOD Single : A 66 MET CE :methyl 165:sc= -0.0874 (180deg=-0.381) USER MOD Single : A 67 SER OG : rot 170:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -49:sc= -2.01! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 85 TYR OH : rot -27:sc= -0.82! USER MOD Single : A 86 THR OG1 : rot -18:sc= 0.551 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -119:sc= -9.46! (180deg=-14.7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.748 14.396 3.259 1.00 0.00 N ATOM 2 CA GLU A 1 4.394 14.602 2.670 1.00 0.00 C ATOM 3 C GLU A 1 3.496 13.418 3.028 1.00 0.00 C ATOM 4 O GLU A 1 3.966 12.346 3.355 1.00 0.00 O ATOM 5 CB GLU A 1 4.511 14.711 1.148 1.00 0.00 C ATOM 6 CG GLU A 1 4.448 16.183 0.737 1.00 0.00 C ATOM 7 CD GLU A 1 4.412 16.286 -0.789 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.270 15.257 -1.429 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.525 17.392 -1.291 1.00 0.00 O ATOM 0 H1 GLU A 1 6.281 15.288 3.224 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.653 14.088 4.248 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.255 13.668 2.717 1.00 0.00 H new ATOM 0 HA GLU A 1 3.961 15.520 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.448 14.268 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.706 14.154 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.563 16.653 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.314 16.718 1.128 1.00 0.00 H new ATOM 18 N THR A 2 2.205 13.602 2.969 1.00 0.00 N ATOM 19 CA THR A 2 1.276 12.488 3.304 1.00 0.00 C ATOM 20 C THR A 2 0.276 12.299 2.163 1.00 0.00 C ATOM 21 O THR A 2 -0.573 13.134 1.923 1.00 0.00 O ATOM 22 CB THR A 2 0.520 12.823 4.593 1.00 0.00 C ATOM 23 OG1 THR A 2 1.180 13.889 5.261 1.00 0.00 O ATOM 24 CG2 THR A 2 0.484 11.592 5.499 1.00 0.00 C ATOM 0 H THR A 2 1.754 14.477 2.703 1.00 0.00 H new ATOM 0 HA THR A 2 1.846 11.570 3.445 1.00 0.00 H new ATOM 0 HB THR A 2 -0.500 13.122 4.352 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.697 14.107 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.054 11.831 6.416 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.022 10.776 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.502 11.291 5.744 1.00 0.00 H new ATOM 32 N TYR A 3 0.369 11.206 1.456 1.00 0.00 N ATOM 33 CA TYR A 3 -0.577 10.965 0.330 1.00 0.00 C ATOM 34 C TYR A 3 -1.806 10.215 0.849 1.00 0.00 C ATOM 35 O TYR A 3 -1.744 9.515 1.841 1.00 0.00 O ATOM 36 CB TYR A 3 0.117 10.130 -0.748 1.00 0.00 C ATOM 37 CG TYR A 3 1.134 10.984 -1.467 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.239 11.493 -0.772 1.00 0.00 C ATOM 39 CD2 TYR A 3 0.973 11.269 -2.828 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.181 12.286 -1.438 1.00 0.00 C ATOM 41 CE2 TYR A 3 1.915 12.062 -3.494 1.00 0.00 C ATOM 42 CZ TYR A 3 3.019 12.570 -2.799 1.00 0.00 C ATOM 43 OH TYR A 3 3.947 13.352 -3.455 1.00 0.00 O ATOM 0 H TYR A 3 1.059 10.470 1.609 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.888 11.919 -0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 3 0.605 9.266 -0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -0.618 9.747 -1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.364 11.273 0.278 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.122 10.877 -3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.032 12.679 -0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.790 12.282 -4.544 1.00 0.00 H new ATOM 0 HH TYR A 3 4.187 14.117 -2.891 1.00 0.00 H new ATOM 53 N THR A 4 -2.924 10.358 0.191 1.00 0.00 N ATOM 54 CA THR A 4 -4.154 9.656 0.654 1.00 0.00 C ATOM 55 C THR A 4 -4.657 8.716 -0.445 1.00 0.00 C ATOM 56 O THR A 4 -5.178 9.148 -1.454 1.00 0.00 O ATOM 57 CB THR A 4 -5.238 10.688 0.977 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.786 11.980 0.594 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.529 10.672 2.478 1.00 0.00 C ATOM 0 H THR A 4 -3.039 10.930 -0.646 1.00 0.00 H new ATOM 0 HA THR A 4 -3.923 9.076 1.547 1.00 0.00 H new ATOM 0 HB THR A 4 -6.149 10.443 0.431 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.479 12.643 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.301 11.407 2.707 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.874 9.680 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.620 10.917 3.027 1.00 0.00 H new ATOM 67 N VAL A 5 -4.506 7.433 -0.256 1.00 0.00 N ATOM 68 CA VAL A 5 -4.978 6.466 -1.288 1.00 0.00 C ATOM 69 C VAL A 5 -6.255 5.781 -0.794 1.00 0.00 C ATOM 70 O VAL A 5 -6.278 5.177 0.260 1.00 0.00 O ATOM 71 CB VAL A 5 -3.899 5.409 -1.540 1.00 0.00 C ATOM 72 CG1 VAL A 5 -4.000 4.913 -2.983 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.516 6.022 -1.310 1.00 0.00 C ATOM 0 H VAL A 5 -4.076 7.013 0.568 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.182 7.000 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.044 4.574 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.232 4.161 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.984 4.475 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.856 5.750 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.749 5.268 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.370 6.858 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.442 6.377 -0.282 1.00 0.00 H new ATOM 83 N LYS A 6 -7.318 5.870 -1.545 1.00 0.00 N ATOM 84 CA LYS A 6 -8.591 5.224 -1.115 1.00 0.00 C ATOM 85 C LYS A 6 -8.987 4.154 -2.133 1.00 0.00 C ATOM 86 O LYS A 6 -9.688 4.422 -3.088 1.00 0.00 O ATOM 87 CB LYS A 6 -9.704 6.276 -1.027 1.00 0.00 C ATOM 88 CG LYS A 6 -9.099 7.651 -0.731 1.00 0.00 C ATOM 89 CD LYS A 6 -10.205 8.708 -0.720 1.00 0.00 C ATOM 90 CE LYS A 6 -9.584 10.097 -0.879 1.00 0.00 C ATOM 91 NZ LYS A 6 -8.644 10.352 0.249 1.00 0.00 N ATOM 0 H LYS A 6 -7.361 6.362 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.448 4.766 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.261 6.308 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.412 6.004 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.588 7.635 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.352 7.900 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.911 8.519 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.766 8.653 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.055 10.164 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.365 10.857 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.183 11.275 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.171 10.355 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.921 9.605 0.274 1.00 0.00 H new ATOM 105 N LEU A 7 -8.547 2.940 -1.937 1.00 0.00 N ATOM 106 CA LEU A 7 -8.900 1.858 -2.889 1.00 0.00 C ATOM 107 C LEU A 7 -10.413 1.850 -3.116 1.00 0.00 C ATOM 108 O LEU A 7 -11.166 2.440 -2.367 1.00 0.00 O ATOM 109 CB LEU A 7 -8.465 0.513 -2.308 1.00 0.00 C ATOM 110 CG LEU A 7 -8.607 0.531 -0.785 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.378 -0.710 -0.333 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.218 0.528 -0.142 1.00 0.00 C ATOM 0 H LEU A 7 -7.957 2.654 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.393 2.028 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.073 -0.288 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.431 0.306 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.146 1.428 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.480 -0.699 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.367 -0.711 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.837 -1.606 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.319 0.541 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.679 -0.369 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.666 1.410 -0.465 1.00 0.00 H new ATOM 124 N GLY A 8 -10.862 1.184 -4.144 1.00 0.00 N ATOM 125 CA GLY A 8 -12.325 1.135 -4.419 1.00 0.00 C ATOM 126 C GLY A 8 -12.770 2.443 -5.075 1.00 0.00 C ATOM 127 O GLY A 8 -13.369 3.292 -4.445 1.00 0.00 O ATOM 0 H GLY A 8 -10.279 0.672 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.554 0.293 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.874 0.977 -3.491 1.00 0.00 H new ATOM 131 N SER A 9 -12.484 2.613 -6.336 1.00 0.00 N ATOM 132 CA SER A 9 -12.896 3.866 -7.030 1.00 0.00 C ATOM 133 C SER A 9 -14.365 4.156 -6.720 1.00 0.00 C ATOM 134 O SER A 9 -14.702 5.178 -6.158 1.00 0.00 O ATOM 135 CB SER A 9 -12.717 3.695 -8.539 1.00 0.00 C ATOM 136 OG SER A 9 -13.126 2.386 -8.914 1.00 0.00 O ATOM 0 H SER A 9 -11.983 1.939 -6.916 1.00 0.00 H new ATOM 0 HA SER A 9 -12.279 4.695 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.306 4.440 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.675 3.856 -8.814 1.00 0.00 H new ATOM 0 HG SER A 9 -13.014 2.273 -9.881 1.00 0.00 H new ATOM 142 N ASP A 10 -15.240 3.260 -7.083 1.00 0.00 N ATOM 143 CA ASP A 10 -16.688 3.478 -6.811 1.00 0.00 C ATOM 144 C ASP A 10 -17.498 2.353 -7.456 1.00 0.00 C ATOM 145 O ASP A 10 -18.161 1.588 -6.784 1.00 0.00 O ATOM 146 CB ASP A 10 -17.122 4.822 -7.400 1.00 0.00 C ATOM 147 CG ASP A 10 -18.080 5.518 -6.432 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.129 4.956 -6.161 1.00 0.00 O ATOM 149 OD2 ASP A 10 -17.750 6.601 -5.978 1.00 0.00 O ATOM 0 H ASP A 10 -15.015 2.385 -7.557 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.861 3.482 -5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.250 5.451 -7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.609 4.669 -8.363 1.00 0.00 H new ATOM 154 N LYS A 11 -17.445 2.243 -8.755 1.00 0.00 N ATOM 155 CA LYS A 11 -18.209 1.166 -9.443 1.00 0.00 C ATOM 156 C LYS A 11 -17.267 0.387 -10.363 1.00 0.00 C ATOM 157 O LYS A 11 -17.696 -0.299 -11.269 1.00 0.00 O ATOM 158 CB LYS A 11 -19.335 1.786 -10.275 1.00 0.00 C ATOM 159 CG LYS A 11 -18.733 2.628 -11.401 1.00 0.00 C ATOM 160 CD LYS A 11 -19.849 3.374 -12.136 1.00 0.00 C ATOM 161 CE LYS A 11 -19.580 4.879 -12.079 1.00 0.00 C ATOM 162 NZ LYS A 11 -20.821 5.587 -11.656 1.00 0.00 N ATOM 0 H LYS A 11 -16.905 2.853 -9.369 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.637 0.493 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.968 1.002 -10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.970 2.406 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.014 3.338 -10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.190 1.988 -12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.901 3.042 -13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.813 3.149 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.772 5.089 -11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.257 5.239 -13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.640 6.610 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.580 5.395 -12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.110 5.250 -10.715 1.00 0.00 H new ATOM 176 N GLY A 12 -15.986 0.489 -10.137 1.00 0.00 N ATOM 177 CA GLY A 12 -15.016 -0.244 -11.000 1.00 0.00 C ATOM 178 C GLY A 12 -14.448 -1.439 -10.233 1.00 0.00 C ATOM 179 O GLY A 12 -15.006 -2.517 -10.243 1.00 0.00 O ATOM 0 H GLY A 12 -15.569 1.048 -9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.509 -0.585 -11.911 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.209 0.422 -11.305 1.00 0.00 H new ATOM 183 N LEU A 13 -13.338 -1.257 -9.571 1.00 0.00 N ATOM 184 CA LEU A 13 -12.735 -2.386 -8.809 1.00 0.00 C ATOM 185 C LEU A 13 -12.103 -1.858 -7.521 1.00 0.00 C ATOM 186 O LEU A 13 -12.352 -0.744 -7.104 1.00 0.00 O ATOM 187 CB LEU A 13 -11.658 -3.058 -9.662 1.00 0.00 C ATOM 188 CG LEU A 13 -12.147 -3.174 -11.106 1.00 0.00 C ATOM 189 CD1 LEU A 13 -11.781 -1.902 -11.874 1.00 0.00 C ATOM 190 CD2 LEU A 13 -11.482 -4.382 -11.771 1.00 0.00 C ATOM 0 H LEU A 13 -12.824 -0.377 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 13 -13.512 -3.110 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.736 -2.478 -9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.429 -4.047 -9.264 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.229 -3.303 -11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.130 -1.985 -12.903 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.253 -1.042 -11.399 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.699 -1.772 -11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.829 -4.467 -12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.400 -4.252 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.743 -5.288 -11.224 1.00 0.00 H new ATOM 202 N LEU A 14 -11.286 -2.654 -6.888 1.00 0.00 N ATOM 203 CA LEU A 14 -10.635 -2.209 -5.625 1.00 0.00 C ATOM 204 C LEU A 14 -9.200 -1.768 -5.922 1.00 0.00 C ATOM 205 O LEU A 14 -8.259 -2.217 -5.298 1.00 0.00 O ATOM 206 CB LEU A 14 -10.619 -3.371 -4.632 1.00 0.00 C ATOM 207 CG LEU A 14 -11.943 -4.130 -4.718 1.00 0.00 C ATOM 208 CD1 LEU A 14 -11.872 -5.387 -3.851 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.070 -3.232 -4.210 1.00 0.00 C ATOM 0 H LEU A 14 -11.041 -3.596 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.189 -1.373 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.788 -4.041 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.467 -2.997 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.133 -4.414 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.817 -5.926 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.064 -6.028 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.684 -5.104 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.017 -3.768 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.875 -2.953 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.123 -2.333 -4.824 1.00 0.00 H new ATOM 221 N VAL A 15 -9.025 -0.892 -6.872 1.00 0.00 N ATOM 222 CA VAL A 15 -7.652 -0.423 -7.211 1.00 0.00 C ATOM 223 C VAL A 15 -7.354 0.874 -6.456 1.00 0.00 C ATOM 224 O VAL A 15 -8.241 1.655 -6.170 1.00 0.00 O ATOM 225 CB VAL A 15 -7.560 -0.169 -8.717 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.455 -1.504 -9.455 1.00 0.00 C ATOM 227 CG2 VAL A 15 -8.814 0.575 -9.182 1.00 0.00 C ATOM 0 H VAL A 15 -9.774 -0.480 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.926 -1.184 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.677 0.433 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.390 -1.323 -10.528 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.563 -2.035 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.337 -2.108 -9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.752 0.758 -10.255 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.696 -0.029 -8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.889 1.527 -8.656 1.00 0.00 H new ATOM 237 N PHE A 16 -6.113 1.112 -6.132 1.00 0.00 N ATOM 238 CA PHE A 16 -5.760 2.359 -5.398 1.00 0.00 C ATOM 239 C PHE A 16 -6.045 3.569 -6.290 1.00 0.00 C ATOM 240 O PHE A 16 -6.445 3.430 -7.429 1.00 0.00 O ATOM 241 CB PHE A 16 -4.274 2.333 -5.033 1.00 0.00 C ATOM 242 CG PHE A 16 -4.050 1.367 -3.894 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.568 1.648 -2.624 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.320 0.192 -4.107 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.357 0.753 -1.568 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.109 -0.703 -3.052 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.627 -0.422 -1.782 1.00 0.00 C ATOM 0 H PHE A 16 -5.328 0.496 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.355 2.428 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.682 2.035 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.942 3.331 -4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.130 2.555 -2.459 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.919 -0.024 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.757 0.969 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.547 -1.610 -3.217 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.463 -1.112 -0.967 1.00 0.00 H new ATOM 257 N GLU A 17 -5.842 4.754 -5.784 1.00 0.00 N ATOM 258 CA GLU A 17 -6.101 5.968 -6.610 1.00 0.00 C ATOM 259 C GLU A 17 -5.345 7.162 -6.011 1.00 0.00 C ATOM 260 O GLU A 17 -5.712 7.657 -4.964 1.00 0.00 O ATOM 261 CB GLU A 17 -7.603 6.262 -6.619 1.00 0.00 C ATOM 262 CG GLU A 17 -8.283 5.389 -7.676 1.00 0.00 C ATOM 263 CD GLU A 17 -9.295 6.226 -8.460 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.488 7.375 -8.101 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.859 5.702 -9.406 1.00 0.00 O ATOM 0 H GLU A 17 -5.509 4.935 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.758 5.799 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.030 6.062 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.778 7.316 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.537 4.974 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.784 4.547 -7.199 1.00 0.00 H new ATOM 272 N PRO A 18 -4.302 7.583 -6.685 1.00 0.00 N ATOM 273 CA PRO A 18 -3.855 6.983 -7.956 1.00 0.00 C ATOM 274 C PRO A 18 -3.161 5.642 -7.706 1.00 0.00 C ATOM 275 O PRO A 18 -2.879 5.277 -6.582 1.00 0.00 O ATOM 276 CB PRO A 18 -2.874 8.018 -8.514 1.00 0.00 C ATOM 277 CG PRO A 18 -2.395 8.861 -7.314 1.00 0.00 C ATOM 278 CD PRO A 18 -3.460 8.702 -6.219 1.00 0.00 C ATOM 0 HA PRO A 18 -4.675 6.769 -8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.032 7.529 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.358 8.647 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.422 8.518 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.281 9.908 -7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.006 8.482 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.044 9.614 -6.097 1.00 0.00 H new ATOM 286 N ALA A 19 -2.888 4.903 -8.746 1.00 0.00 N ATOM 287 CA ALA A 19 -2.217 3.586 -8.568 1.00 0.00 C ATOM 288 C ALA A 19 -0.772 3.808 -8.121 1.00 0.00 C ATOM 289 O ALA A 19 -0.380 3.422 -7.038 1.00 0.00 O ATOM 290 CB ALA A 19 -2.230 2.823 -9.893 1.00 0.00 C ATOM 0 H ALA A 19 -3.101 5.155 -9.711 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.747 3.007 -7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.739 1.859 -9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.260 2.665 -10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.700 3.401 -10.651 1.00 0.00 H new ATOM 296 N LYS A 20 0.025 4.431 -8.945 1.00 0.00 N ATOM 297 CA LYS A 20 1.442 4.679 -8.562 1.00 0.00 C ATOM 298 C LYS A 20 1.510 5.892 -7.635 1.00 0.00 C ATOM 299 O LYS A 20 0.622 6.721 -7.617 1.00 0.00 O ATOM 300 CB LYS A 20 2.272 4.950 -9.818 1.00 0.00 C ATOM 301 CG LYS A 20 1.712 6.174 -10.545 1.00 0.00 C ATOM 302 CD LYS A 20 2.601 6.507 -11.745 1.00 0.00 C ATOM 303 CE LYS A 20 2.031 5.846 -13.001 1.00 0.00 C ATOM 304 NZ LYS A 20 3.148 5.463 -13.910 1.00 0.00 N ATOM 0 H LYS A 20 -0.244 4.778 -9.866 1.00 0.00 H new ATOM 0 HA LYS A 20 1.839 3.803 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.314 5.119 -9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.250 4.081 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.693 5.978 -10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.667 7.025 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.655 7.587 -11.882 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.618 6.157 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.450 4.965 -12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.352 6.531 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.762 5.013 -14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.684 6.313 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.779 4.795 -13.423 1.00 0.00 H new ATOM 318 N LEU A 21 2.555 6.003 -6.863 1.00 0.00 N ATOM 319 CA LEU A 21 2.677 7.164 -5.938 1.00 0.00 C ATOM 320 C LEU A 21 4.156 7.488 -5.721 1.00 0.00 C ATOM 321 O LEU A 21 4.912 6.676 -5.227 1.00 0.00 O ATOM 322 CB LEU A 21 2.029 6.815 -4.596 1.00 0.00 C ATOM 323 CG LEU A 21 0.535 7.138 -4.654 1.00 0.00 C ATOM 324 CD1 LEU A 21 -0.256 5.855 -4.914 1.00 0.00 C ATOM 325 CD2 LEU A 21 0.094 7.747 -3.321 1.00 0.00 C ATOM 0 H LEU A 21 3.330 5.340 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 21 2.175 8.029 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.175 5.758 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.503 7.379 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 21 0.348 7.849 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.320 6.086 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.058 5.420 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.070 5.144 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.971 7.978 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.281 7.036 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.657 8.662 -3.135 1.00 0.00 H new ATOM 337 N THR A 22 4.576 8.668 -6.088 1.00 0.00 N ATOM 338 CA THR A 22 6.007 9.035 -5.902 1.00 0.00 C ATOM 339 C THR A 22 6.200 9.666 -4.522 1.00 0.00 C ATOM 340 O THR A 22 6.055 10.860 -4.349 1.00 0.00 O ATOM 341 CB THR A 22 6.427 10.035 -6.982 1.00 0.00 C ATOM 342 OG1 THR A 22 6.058 9.533 -8.258 1.00 0.00 O ATOM 343 CG2 THR A 22 7.943 10.235 -6.926 1.00 0.00 C ATOM 0 H THR A 22 3.992 9.391 -6.507 1.00 0.00 H new ATOM 0 HA THR A 22 6.621 8.138 -5.980 1.00 0.00 H new ATOM 0 HB THR A 22 5.930 10.990 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.325 10.173 -8.951 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.245 10.947 -7.694 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.223 10.619 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.442 9.282 -7.099 1.00 0.00 H new ATOM 351 N ILE A 23 6.527 8.874 -3.539 1.00 0.00 N ATOM 352 CA ILE A 23 6.729 9.426 -2.175 1.00 0.00 C ATOM 353 C ILE A 23 8.221 9.605 -1.912 1.00 0.00 C ATOM 354 O ILE A 23 9.054 9.237 -2.717 1.00 0.00 O ATOM 355 CB ILE A 23 6.153 8.463 -1.139 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.643 7.042 -1.435 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.630 8.504 -1.207 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.271 6.441 -0.174 1.00 0.00 C ATOM 0 H ILE A 23 6.663 7.867 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 23 6.223 10.389 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 23 6.481 8.757 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.811 6.422 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.373 7.060 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.214 7.818 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.284 9.516 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.302 8.207 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.619 5.430 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.114 7.056 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.528 6.409 0.623 1.00 0.00 H new ATOM 370 N LYS A 24 8.566 10.161 -0.786 1.00 0.00 N ATOM 371 CA LYS A 24 10.004 10.356 -0.466 1.00 0.00 C ATOM 372 C LYS A 24 10.527 9.102 0.245 1.00 0.00 C ATOM 373 O LYS A 24 9.783 8.166 0.462 1.00 0.00 O ATOM 374 CB LYS A 24 10.163 11.581 0.438 1.00 0.00 C ATOM 375 CG LYS A 24 11.061 12.611 -0.251 1.00 0.00 C ATOM 376 CD LYS A 24 10.196 13.659 -0.954 1.00 0.00 C ATOM 377 CE LYS A 24 10.691 13.847 -2.389 1.00 0.00 C ATOM 378 NZ LYS A 24 9.657 14.571 -3.181 1.00 0.00 N ATOM 0 H LYS A 24 7.914 10.489 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 24 10.574 10.518 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.187 12.018 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.596 11.287 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.708 13.092 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.710 12.117 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.153 13.343 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.242 14.605 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.625 14.408 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.900 12.878 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.994 14.699 -4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.776 14.019 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.479 15.501 -2.752 1.00 0.00 H new ATOM 392 N PRO A 25 11.792 9.115 0.579 1.00 0.00 N ATOM 393 CA PRO A 25 12.440 7.980 1.257 1.00 0.00 C ATOM 394 C PRO A 25 12.101 7.970 2.749 1.00 0.00 C ATOM 395 O PRO A 25 12.906 8.343 3.580 1.00 0.00 O ATOM 396 CB PRO A 25 13.932 8.235 1.037 1.00 0.00 C ATOM 397 CG PRO A 25 14.080 9.749 0.754 1.00 0.00 C ATOM 398 CD PRO A 25 12.692 10.255 0.315 1.00 0.00 C ATOM 0 HA PRO A 25 12.114 7.014 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.509 7.946 1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.308 7.645 0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.421 10.278 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.821 9.926 -0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.393 11.138 0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.684 10.533 -0.739 1.00 0.00 H new ATOM 406 N GLY A 26 10.921 7.535 3.098 1.00 0.00 N ATOM 407 CA GLY A 26 10.542 7.491 4.539 1.00 0.00 C ATOM 408 C GLY A 26 9.371 8.436 4.801 1.00 0.00 C ATOM 409 O GLY A 26 9.199 8.937 5.894 1.00 0.00 O ATOM 0 H GLY A 26 10.204 7.209 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.269 6.474 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.394 7.775 5.156 1.00 0.00 H new ATOM 413 N ASP A 27 8.557 8.679 3.812 1.00 0.00 N ATOM 414 CA ASP A 27 7.395 9.585 4.018 1.00 0.00 C ATOM 415 C ASP A 27 6.238 8.786 4.617 1.00 0.00 C ATOM 416 O ASP A 27 6.367 7.614 4.908 1.00 0.00 O ATOM 417 CB ASP A 27 6.966 10.183 2.678 1.00 0.00 C ATOM 418 CG ASP A 27 7.793 11.436 2.395 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.903 11.516 2.896 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.304 12.296 1.682 1.00 0.00 O ATOM 0 H ASP A 27 8.646 8.290 2.873 1.00 0.00 H new ATOM 0 HA ASP A 27 7.674 10.391 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.106 9.454 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.905 10.431 2.701 1.00 0.00 H new ATOM 425 N THR A 28 5.110 9.408 4.804 1.00 0.00 N ATOM 426 CA THR A 28 3.953 8.685 5.383 1.00 0.00 C ATOM 427 C THR A 28 2.852 8.557 4.333 1.00 0.00 C ATOM 428 O THR A 28 2.449 9.524 3.719 1.00 0.00 O ATOM 429 CB THR A 28 3.414 9.461 6.585 1.00 0.00 C ATOM 430 OG1 THR A 28 4.440 9.597 7.558 1.00 0.00 O ATOM 431 CG2 THR A 28 2.227 8.709 7.190 1.00 0.00 C ATOM 0 H THR A 28 4.941 10.389 4.579 1.00 0.00 H new ATOM 0 HA THR A 28 4.272 7.692 5.701 1.00 0.00 H new ATOM 0 HB THR A 28 3.087 10.450 6.263 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.096 10.096 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.844 9.263 8.047 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.441 8.608 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.550 7.719 7.513 1.00 0.00 H new ATOM 439 N VAL A 29 2.356 7.372 4.129 1.00 0.00 N ATOM 440 CA VAL A 29 1.278 7.182 3.131 1.00 0.00 C ATOM 441 C VAL A 29 0.013 6.723 3.855 1.00 0.00 C ATOM 442 O VAL A 29 0.017 5.743 4.574 1.00 0.00 O ATOM 443 CB VAL A 29 1.711 6.132 2.107 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.800 6.206 0.880 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.155 6.409 1.685 1.00 0.00 C ATOM 0 H VAL A 29 2.653 6.525 4.613 1.00 0.00 H new ATOM 0 HA VAL A 29 1.078 8.118 2.610 1.00 0.00 H new ATOM 0 HB VAL A 29 1.640 5.138 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.110 5.457 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.231 6.016 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.871 7.198 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.470 5.664 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.220 7.402 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.805 6.359 2.558 1.00 0.00 H new ATOM 455 N GLU A 30 -1.068 7.432 3.683 1.00 0.00 N ATOM 456 CA GLU A 30 -2.326 7.047 4.370 1.00 0.00 C ATOM 457 C GLU A 30 -3.225 6.279 3.403 1.00 0.00 C ATOM 458 O GLU A 30 -3.536 6.743 2.324 1.00 0.00 O ATOM 459 CB GLU A 30 -3.049 8.307 4.849 1.00 0.00 C ATOM 460 CG GLU A 30 -3.264 8.231 6.362 1.00 0.00 C ATOM 461 CD GLU A 30 -3.577 9.627 6.904 1.00 0.00 C ATOM 462 OE1 GLU A 30 -2.896 10.560 6.511 1.00 0.00 O ATOM 463 OE2 GLU A 30 -4.492 9.739 7.703 1.00 0.00 O ATOM 0 H GLU A 30 -1.132 8.263 3.094 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.093 6.413 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.464 9.192 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.008 8.404 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.083 7.549 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.373 7.832 6.847 1.00 0.00 H new ATOM 470 N PHE A 31 -3.642 5.104 3.782 1.00 0.00 N ATOM 471 CA PHE A 31 -4.520 4.297 2.888 1.00 0.00 C ATOM 472 C PHE A 31 -5.880 4.106 3.567 1.00 0.00 C ATOM 473 O PHE A 31 -5.988 4.148 4.776 1.00 0.00 O ATOM 474 CB PHE A 31 -3.873 2.929 2.626 1.00 0.00 C ATOM 475 CG PHE A 31 -2.372 3.024 2.809 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.557 3.468 1.757 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.795 2.674 4.036 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.172 3.561 1.936 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.411 2.766 4.211 1.00 0.00 C ATOM 480 CZ PHE A 31 0.400 3.209 3.163 1.00 0.00 C ATOM 0 H PHE A 31 -3.413 4.666 4.674 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.654 4.813 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.285 2.186 3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.104 2.596 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.998 3.738 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.420 2.333 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.455 3.905 1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.032 2.494 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.469 3.280 3.300 1.00 0.00 H new ATOM 490 N LEU A 32 -6.923 3.909 2.805 1.00 0.00 N ATOM 491 CA LEU A 32 -8.268 3.727 3.421 1.00 0.00 C ATOM 492 C LEU A 32 -9.054 2.659 2.654 1.00 0.00 C ATOM 493 O LEU A 32 -8.531 1.988 1.787 1.00 0.00 O ATOM 494 CB LEU A 32 -9.049 5.050 3.392 1.00 0.00 C ATOM 495 CG LEU A 32 -8.108 6.223 3.094 1.00 0.00 C ATOM 496 CD1 LEU A 32 -8.933 7.457 2.721 1.00 0.00 C ATOM 497 CD2 LEU A 32 -7.268 6.531 4.336 1.00 0.00 C ATOM 0 H LEU A 32 -6.901 3.866 1.786 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.136 3.410 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.830 5.001 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.544 5.208 4.350 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.451 5.959 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.264 8.291 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.533 7.240 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.590 7.720 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.599 7.365 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.926 6.794 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.680 5.653 4.605 1.00 0.00 H new ATOM 509 N ASN A 33 -10.314 2.504 2.968 1.00 0.00 N ATOM 510 CA ASN A 33 -11.146 1.489 2.262 1.00 0.00 C ATOM 511 C ASN A 33 -12.360 2.184 1.635 1.00 0.00 C ATOM 512 O ASN A 33 -12.653 3.324 1.937 1.00 0.00 O ATOM 513 CB ASN A 33 -11.590 0.408 3.266 1.00 0.00 C ATOM 514 CG ASN A 33 -12.924 0.762 3.922 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.335 1.903 3.940 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.615 -0.186 4.478 1.00 0.00 N ATOM 0 H ASN A 33 -10.803 3.039 3.686 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.569 1.011 1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.679 -0.550 2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.826 0.289 4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.504 0.029 4.930 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.269 -1.145 4.463 1.00 0.00 H new ATOM 523 N ASN A 34 -13.072 1.516 0.770 1.00 0.00 N ATOM 524 CA ASN A 34 -14.260 2.162 0.145 1.00 0.00 C ATOM 525 C ASN A 34 -15.234 1.095 -0.361 1.00 0.00 C ATOM 526 O ASN A 34 -16.385 1.059 0.026 1.00 0.00 O ATOM 527 CB ASN A 34 -13.806 3.031 -1.029 1.00 0.00 C ATOM 528 CG ASN A 34 -15.004 3.799 -1.590 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.503 4.712 -0.962 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.490 3.466 -2.755 1.00 0.00 N ATOM 0 H ASN A 34 -12.885 0.559 0.471 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.763 2.779 0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.035 3.728 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.364 2.408 -1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.288 3.972 -3.138 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.071 2.700 -3.282 1.00 0.00 H new ATOM 537 N LYS A 35 -14.787 0.233 -1.232 1.00 0.00 N ATOM 538 CA LYS A 35 -15.695 -0.819 -1.770 1.00 0.00 C ATOM 539 C LYS A 35 -15.990 -1.862 -0.692 1.00 0.00 C ATOM 540 O LYS A 35 -16.002 -1.571 0.488 1.00 0.00 O ATOM 541 CB LYS A 35 -15.032 -1.499 -2.966 1.00 0.00 C ATOM 542 CG LYS A 35 -16.077 -1.742 -4.056 1.00 0.00 C ATOM 543 CD LYS A 35 -15.661 -1.011 -5.335 1.00 0.00 C ATOM 544 CE LYS A 35 -16.535 -1.481 -6.500 1.00 0.00 C ATOM 545 NZ LYS A 35 -15.764 -2.438 -7.343 1.00 0.00 N ATOM 0 H LYS A 35 -13.834 0.211 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.631 -0.355 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.226 -0.875 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.584 -2.444 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.174 -2.810 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.053 -1.389 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.764 0.066 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.611 -1.206 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.438 -1.959 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.853 -0.627 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.978 -2.268 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.746 -2.303 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.029 -3.412 -7.093 1.00 0.00 H new ATOM 559 N VAL A 36 -16.241 -3.075 -1.099 1.00 0.00 N ATOM 560 CA VAL A 36 -16.556 -4.153 -0.119 1.00 0.00 C ATOM 561 C VAL A 36 -15.305 -4.510 0.705 1.00 0.00 C ATOM 562 O VAL A 36 -14.336 -5.008 0.168 1.00 0.00 O ATOM 563 CB VAL A 36 -17.030 -5.394 -0.878 1.00 0.00 C ATOM 564 CG1 VAL A 36 -17.234 -6.548 0.104 1.00 0.00 C ATOM 565 CG2 VAL A 36 -18.354 -5.086 -1.582 1.00 0.00 C ATOM 0 H VAL A 36 -16.242 -3.368 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.336 -3.804 0.557 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.280 -5.675 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.572 -7.431 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.292 -6.769 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.984 -6.268 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.693 -5.970 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -19.103 -4.805 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.211 -4.264 -2.283 1.00 0.00 H new ATOM 575 N PRO A 37 -15.372 -4.251 1.992 1.00 0.00 N ATOM 576 CA PRO A 37 -14.266 -4.545 2.930 1.00 0.00 C ATOM 577 C PRO A 37 -14.272 -6.035 3.298 1.00 0.00 C ATOM 578 O PRO A 37 -15.145 -6.765 2.874 1.00 0.00 O ATOM 579 CB PRO A 37 -14.608 -3.684 4.153 1.00 0.00 C ATOM 580 CG PRO A 37 -16.127 -3.409 4.090 1.00 0.00 C ATOM 581 CD PRO A 37 -16.556 -3.639 2.633 1.00 0.00 C ATOM 0 HA PRO A 37 -13.278 -4.331 2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.346 -4.201 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.045 -2.751 4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.669 -4.074 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.349 -2.389 4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.424 -4.296 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.831 -2.703 2.147 1.00 0.00 H new ATOM 589 N PRO A 38 -13.320 -6.442 4.105 1.00 0.00 N ATOM 590 CA PRO A 38 -12.250 -5.571 4.631 1.00 0.00 C ATOM 591 C PRO A 38 -11.054 -5.546 3.676 1.00 0.00 C ATOM 592 O PRO A 38 -10.913 -6.391 2.819 1.00 0.00 O ATOM 593 CB PRO A 38 -11.850 -6.266 5.933 1.00 0.00 C ATOM 594 CG PRO A 38 -12.252 -7.755 5.774 1.00 0.00 C ATOM 595 CD PRO A 38 -13.256 -7.825 4.609 1.00 0.00 C ATOM 0 HA PRO A 38 -12.570 -4.537 4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.779 -6.170 6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.358 -5.815 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.377 -8.371 5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.699 -8.134 6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.921 -8.516 3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.233 -8.172 4.945 1.00 0.00 H new ATOM 603 N HIS A 39 -10.183 -4.588 3.829 1.00 0.00 N ATOM 604 CA HIS A 39 -8.995 -4.517 2.934 1.00 0.00 C ATOM 605 C HIS A 39 -7.715 -4.463 3.767 1.00 0.00 C ATOM 606 O HIS A 39 -7.531 -3.588 4.589 1.00 0.00 O ATOM 607 CB HIS A 39 -9.100 -3.268 2.062 1.00 0.00 C ATOM 608 CG HIS A 39 -10.274 -3.425 1.141 1.00 0.00 C ATOM 609 ND1 HIS A 39 -10.213 -4.217 0.001 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.552 -2.933 1.196 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.430 -4.176 -0.573 1.00 0.00 C ATOM 612 NE2 HIS A 39 -12.272 -3.415 0.117 1.00 0.00 N ATOM 0 H HIS A 39 -10.242 -3.853 4.533 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.963 -5.404 2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.223 -2.381 2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.184 -3.130 1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.936 -2.274 1.960 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.690 -4.698 -1.482 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.250 -3.225 -0.103 1.00 0.00 H new ATOM 620 N ASN A 40 -6.826 -5.396 3.555 1.00 0.00 N ATOM 621 CA ASN A 40 -5.553 -5.407 4.326 1.00 0.00 C ATOM 622 C ASN A 40 -4.442 -4.795 3.470 1.00 0.00 C ATOM 623 O ASN A 40 -4.390 -4.990 2.272 1.00 0.00 O ATOM 624 CB ASN A 40 -5.185 -6.850 4.679 1.00 0.00 C ATOM 625 CG ASN A 40 -4.869 -6.948 6.172 1.00 0.00 C ATOM 626 OD1 ASN A 40 -5.252 -6.092 6.944 1.00 0.00 O ATOM 627 ND2 ASN A 40 -4.182 -7.966 6.614 1.00 0.00 N ATOM 0 H ASN A 40 -6.929 -6.153 2.879 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.673 -4.828 5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.008 -7.518 4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.324 -7.170 4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.967 -8.043 7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.861 -8.685 5.965 1.00 0.00 H new ATOM 634 N VAL A 41 -3.555 -4.052 4.073 1.00 0.00 N ATOM 635 CA VAL A 41 -2.453 -3.425 3.291 1.00 0.00 C ATOM 636 C VAL A 41 -1.125 -4.092 3.658 1.00 0.00 C ATOM 637 O VAL A 41 -0.687 -4.042 4.791 1.00 0.00 O ATOM 638 CB VAL A 41 -2.395 -1.926 3.618 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.018 -1.356 3.262 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.468 -1.192 2.812 1.00 0.00 C ATOM 0 H VAL A 41 -3.546 -3.852 5.073 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.634 -3.556 2.224 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.570 -1.789 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.992 -0.292 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.250 -1.875 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.831 -1.495 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.430 -0.127 3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.288 -1.341 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.451 -1.585 3.072 1.00 0.00 H new ATOM 650 N VAL A 42 -0.477 -4.713 2.710 1.00 0.00 N ATOM 651 CA VAL A 42 0.821 -5.372 3.015 1.00 0.00 C ATOM 652 C VAL A 42 1.679 -5.449 1.755 1.00 0.00 C ATOM 653 O VAL A 42 1.202 -5.731 0.674 1.00 0.00 O ATOM 654 CB VAL A 42 0.573 -6.781 3.556 1.00 0.00 C ATOM 655 CG1 VAL A 42 1.736 -7.191 4.462 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.729 -6.796 4.360 1.00 0.00 C ATOM 0 H VAL A 42 -0.790 -4.791 1.742 1.00 0.00 H new ATOM 0 HA VAL A 42 1.347 -4.784 3.768 1.00 0.00 H new ATOM 0 HB VAL A 42 0.495 -7.482 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.560 -8.195 4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.664 -7.179 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.813 -6.491 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.907 -7.800 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.651 -6.096 5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.558 -6.503 3.716 1.00 0.00 H new ATOM 666 N PHE A 43 2.948 -5.191 1.896 1.00 0.00 N ATOM 667 CA PHE A 43 3.863 -5.235 0.720 1.00 0.00 C ATOM 668 C PHE A 43 4.382 -6.659 0.526 1.00 0.00 C ATOM 669 O PHE A 43 4.928 -7.258 1.430 1.00 0.00 O ATOM 670 CB PHE A 43 5.044 -4.297 0.973 1.00 0.00 C ATOM 671 CG PHE A 43 4.569 -3.101 1.745 1.00 0.00 C ATOM 672 CD1 PHE A 43 3.921 -2.046 1.094 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.774 -3.056 3.123 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.481 -0.942 1.833 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.333 -1.958 3.853 1.00 0.00 C ATOM 676 CZ PHE A 43 3.691 -0.905 3.216 1.00 0.00 C ATOM 0 H PHE A 43 3.395 -4.950 2.781 1.00 0.00 H new ATOM 0 HA PHE A 43 3.324 -4.922 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.824 -4.817 1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.483 -3.983 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.761 -2.083 0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.274 -3.872 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.982 -0.122 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.491 -1.924 4.921 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.353 -0.055 3.789 1.00 0.00 H new ATOM 686 N ASP A 44 4.225 -7.204 -0.649 1.00 0.00 N ATOM 687 CA ASP A 44 4.722 -8.585 -0.893 1.00 0.00 C ATOM 688 C ASP A 44 6.186 -8.670 -0.456 1.00 0.00 C ATOM 689 O ASP A 44 6.969 -7.777 -0.709 1.00 0.00 O ATOM 690 CB ASP A 44 4.614 -8.913 -2.384 1.00 0.00 C ATOM 691 CG ASP A 44 5.073 -10.351 -2.626 1.00 0.00 C ATOM 692 OD1 ASP A 44 4.436 -11.251 -2.103 1.00 0.00 O ATOM 693 OD2 ASP A 44 6.054 -10.529 -3.330 1.00 0.00 O ATOM 0 H ASP A 44 3.776 -6.754 -1.447 1.00 0.00 H new ATOM 0 HA ASP A 44 4.124 -9.298 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.585 -8.787 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.226 -8.222 -2.964 1.00 0.00 H new ATOM 698 N ALA A 45 6.562 -9.732 0.203 1.00 0.00 N ATOM 699 CA ALA A 45 7.973 -9.862 0.657 1.00 0.00 C ATOM 700 C ALA A 45 8.835 -10.418 -0.480 1.00 0.00 C ATOM 701 O ALA A 45 9.948 -10.858 -0.267 1.00 0.00 O ATOM 702 CB ALA A 45 8.038 -10.810 1.857 1.00 0.00 C ATOM 0 H ALA A 45 5.953 -10.513 0.446 1.00 0.00 H new ATOM 0 HA ALA A 45 8.349 -8.881 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.072 -10.905 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.431 -10.411 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.658 -11.790 1.568 1.00 0.00 H new ATOM 708 N ALA A 46 8.334 -10.404 -1.684 1.00 0.00 N ATOM 709 CA ALA A 46 9.129 -10.933 -2.827 1.00 0.00 C ATOM 710 C ALA A 46 9.155 -9.900 -3.957 1.00 0.00 C ATOM 711 O ALA A 46 9.558 -10.192 -5.065 1.00 0.00 O ATOM 712 CB ALA A 46 8.489 -12.226 -3.335 1.00 0.00 C ATOM 0 H ALA A 46 7.409 -10.049 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 46 10.148 -11.134 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.069 -12.615 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.471 -12.963 -2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.470 -12.023 -3.664 1.00 0.00 H new ATOM 718 N LEU A 47 8.728 -8.696 -3.688 1.00 0.00 N ATOM 719 CA LEU A 47 8.732 -7.651 -4.751 1.00 0.00 C ATOM 720 C LEU A 47 9.477 -6.412 -4.251 1.00 0.00 C ATOM 721 O LEU A 47 8.987 -5.303 -4.340 1.00 0.00 O ATOM 722 CB LEU A 47 7.291 -7.275 -5.104 1.00 0.00 C ATOM 723 CG LEU A 47 6.574 -8.495 -5.686 1.00 0.00 C ATOM 724 CD1 LEU A 47 5.073 -8.213 -5.772 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.119 -8.784 -7.087 1.00 0.00 C ATOM 0 H LEU A 47 8.377 -8.391 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 47 9.233 -8.039 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.768 -6.922 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.283 -6.457 -5.825 1.00 0.00 H new ATOM 0 HG LEU A 47 6.745 -9.358 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.563 -9.082 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.684 -8.005 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.901 -7.350 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.609 -9.653 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.948 -7.920 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.189 -8.985 -7.027 1.00 0.00 H new ATOM 737 N ASN A 48 10.660 -6.591 -3.731 1.00 0.00 N ATOM 738 CA ASN A 48 11.440 -5.425 -3.230 1.00 0.00 C ATOM 739 C ASN A 48 12.757 -5.331 -4.007 1.00 0.00 C ATOM 740 O ASN A 48 13.194 -6.298 -4.599 1.00 0.00 O ATOM 741 CB ASN A 48 11.727 -5.604 -1.737 1.00 0.00 C ATOM 742 CG ASN A 48 12.544 -6.879 -1.518 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.751 -6.826 -1.391 1.00 0.00 O ATOM 744 ND2 ASN A 48 11.933 -8.031 -1.465 1.00 0.00 N ATOM 0 H ASN A 48 11.121 -7.496 -3.631 1.00 0.00 H new ATOM 0 HA ASN A 48 10.868 -4.509 -3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.273 -4.741 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.791 -5.660 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.469 -8.886 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.920 -8.076 -1.572 1.00 0.00 H new ATOM 751 N PRO A 49 13.345 -4.162 -3.990 1.00 0.00 N ATOM 752 CA PRO A 49 14.612 -3.901 -4.696 1.00 0.00 C ATOM 753 C PRO A 49 15.796 -4.467 -3.908 1.00 0.00 C ATOM 754 O PRO A 49 16.930 -4.392 -4.338 1.00 0.00 O ATOM 755 CB PRO A 49 14.678 -2.373 -4.758 1.00 0.00 C ATOM 756 CG PRO A 49 13.774 -1.851 -3.616 1.00 0.00 C ATOM 757 CD PRO A 49 12.805 -2.995 -3.263 1.00 0.00 C ATOM 0 HA PRO A 49 14.657 -4.367 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.703 -2.023 -4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.332 -2.008 -5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.370 -1.567 -2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.226 -0.963 -3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.774 -3.174 -2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.787 -2.766 -3.577 1.00 0.00 H new ATOM 765 N ALA A 50 15.545 -5.031 -2.760 1.00 0.00 N ATOM 766 CA ALA A 50 16.661 -5.597 -1.952 1.00 0.00 C ATOM 767 C ALA A 50 16.394 -7.074 -1.671 1.00 0.00 C ATOM 768 O ALA A 50 16.832 -7.610 -0.674 1.00 0.00 O ATOM 769 CB ALA A 50 16.772 -4.835 -0.630 1.00 0.00 C ATOM 0 H ALA A 50 14.617 -5.125 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 50 17.594 -5.499 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 50 17.589 -5.249 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.968 -3.782 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.838 -4.930 -0.076 1.00 0.00 H new ATOM 775 N LYS A 51 15.683 -7.723 -2.558 1.00 0.00 N ATOM 776 CA LYS A 51 15.360 -9.177 -2.392 1.00 0.00 C ATOM 777 C LYS A 51 15.308 -9.555 -0.908 1.00 0.00 C ATOM 778 O LYS A 51 15.784 -10.600 -0.509 1.00 0.00 O ATOM 779 CB LYS A 51 16.426 -10.021 -3.101 1.00 0.00 C ATOM 780 CG LYS A 51 17.708 -10.054 -2.263 1.00 0.00 C ATOM 781 CD LYS A 51 17.975 -11.485 -1.792 1.00 0.00 C ATOM 782 CE LYS A 51 18.776 -12.236 -2.858 1.00 0.00 C ATOM 783 NZ LYS A 51 19.684 -13.216 -2.198 1.00 0.00 N ATOM 0 H LYS A 51 15.305 -7.301 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 51 14.382 -9.370 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.056 -11.035 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.636 -9.605 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.550 -9.691 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.611 -9.390 -1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.525 -11.472 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 51 17.032 -11.998 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.100 -12.752 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.355 -11.532 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.229 -13.727 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.337 -12.712 -1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.121 -13.894 -1.646 1.00 0.00 H new ATOM 797 N SER A 52 14.740 -8.715 -0.086 1.00 0.00 N ATOM 798 CA SER A 52 14.669 -9.036 1.369 1.00 0.00 C ATOM 799 C SER A 52 13.273 -8.709 1.905 1.00 0.00 C ATOM 800 O SER A 52 12.365 -8.404 1.159 1.00 0.00 O ATOM 801 CB SER A 52 15.709 -8.211 2.126 1.00 0.00 C ATOM 802 OG SER A 52 17.011 -8.598 1.707 1.00 0.00 O ATOM 0 H SER A 52 14.324 -7.824 -0.357 1.00 0.00 H new ATOM 0 HA SER A 52 14.871 -10.098 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.555 -7.149 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.600 -8.363 3.200 1.00 0.00 H new ATOM 0 HG SER A 52 17.314 -8.003 0.990 1.00 0.00 H new ATOM 808 N ALA A 53 13.097 -8.773 3.197 1.00 0.00 N ATOM 809 CA ALA A 53 11.762 -8.470 3.785 1.00 0.00 C ATOM 810 C ALA A 53 11.942 -7.805 5.152 1.00 0.00 C ATOM 811 O ALA A 53 11.040 -7.786 5.967 1.00 0.00 O ATOM 812 CB ALA A 53 10.972 -9.770 3.951 1.00 0.00 C ATOM 0 H ALA A 53 13.821 -9.022 3.871 1.00 0.00 H new ATOM 0 HA ALA A 53 11.219 -7.795 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.995 -9.550 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.842 -10.243 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.516 -10.444 4.612 1.00 0.00 H new ATOM 818 N ASP A 54 13.100 -7.261 5.411 1.00 0.00 N ATOM 819 CA ASP A 54 13.337 -6.601 6.725 1.00 0.00 C ATOM 820 C ASP A 54 12.500 -5.323 6.813 1.00 0.00 C ATOM 821 O ASP A 54 12.070 -4.924 7.877 1.00 0.00 O ATOM 822 CB ASP A 54 14.820 -6.249 6.859 1.00 0.00 C ATOM 823 CG ASP A 54 15.644 -7.535 6.948 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.360 -8.338 7.822 1.00 0.00 O ATOM 825 OD2 ASP A 54 16.544 -7.696 6.141 1.00 0.00 O ATOM 0 H ASP A 54 13.892 -7.245 4.769 1.00 0.00 H new ATOM 0 HA ASP A 54 13.050 -7.279 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.143 -5.656 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.981 -5.639 7.748 1.00 0.00 H new ATOM 830 N LEU A 55 12.265 -4.677 5.703 1.00 0.00 N ATOM 831 CA LEU A 55 11.457 -3.425 5.729 1.00 0.00 C ATOM 832 C LEU A 55 10.033 -3.724 5.250 1.00 0.00 C ATOM 833 O LEU A 55 9.324 -2.848 4.797 1.00 0.00 O ATOM 834 CB LEU A 55 12.109 -2.376 4.816 1.00 0.00 C ATOM 835 CG LEU A 55 11.721 -2.628 3.356 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.727 -1.559 2.901 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.971 -2.565 2.476 1.00 0.00 C ATOM 0 H LEU A 55 12.597 -4.962 4.781 1.00 0.00 H new ATOM 0 HA LEU A 55 11.416 -3.037 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.794 -1.377 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.193 -2.414 4.923 1.00 0.00 H new ATOM 0 HG LEU A 55 11.263 -3.613 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.451 -1.738 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.835 -1.602 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.186 -0.574 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.694 -2.744 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.429 -1.580 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.682 -3.326 2.799 1.00 0.00 H new ATOM 849 N ALA A 56 9.612 -4.955 5.345 1.00 0.00 N ATOM 850 CA ALA A 56 8.237 -5.309 4.894 1.00 0.00 C ATOM 851 C ALA A 56 7.427 -5.817 6.088 1.00 0.00 C ATOM 852 O ALA A 56 6.364 -5.311 6.389 1.00 0.00 O ATOM 853 CB ALA A 56 8.315 -6.402 3.828 1.00 0.00 C ATOM 0 H ALA A 56 10.161 -5.731 5.715 1.00 0.00 H new ATOM 0 HA ALA A 56 7.753 -4.427 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.309 -6.661 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.894 -6.041 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.798 -7.285 4.247 1.00 0.00 H new ATOM 859 N LYS A 57 7.921 -6.812 6.772 1.00 0.00 N ATOM 860 CA LYS A 57 7.178 -7.348 7.947 1.00 0.00 C ATOM 861 C LYS A 57 6.932 -6.220 8.949 1.00 0.00 C ATOM 862 O LYS A 57 5.971 -6.236 9.693 1.00 0.00 O ATOM 863 CB LYS A 57 8.004 -8.447 8.618 1.00 0.00 C ATOM 864 CG LYS A 57 8.436 -9.474 7.572 1.00 0.00 C ATOM 865 CD LYS A 57 7.530 -10.702 7.663 1.00 0.00 C ATOM 866 CE LYS A 57 6.699 -10.820 6.384 1.00 0.00 C ATOM 867 NZ LYS A 57 6.238 -12.227 6.220 1.00 0.00 N ATOM 0 H LYS A 57 8.806 -7.277 6.568 1.00 0.00 H new ATOM 0 HA LYS A 57 6.225 -7.760 7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.880 -8.014 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.417 -8.932 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.379 -9.039 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.475 -9.762 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.131 -11.601 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.874 -10.619 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.842 -10.148 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.294 -10.518 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.673 -12.308 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.063 -12.857 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.656 -12.499 7.038 1.00 0.00 H new ATOM 881 N SER A 58 7.795 -5.242 8.978 1.00 0.00 N ATOM 882 CA SER A 58 7.612 -4.117 9.936 1.00 0.00 C ATOM 883 C SER A 58 7.208 -2.854 9.174 1.00 0.00 C ATOM 884 O SER A 58 7.511 -1.750 9.579 1.00 0.00 O ATOM 885 CB SER A 58 8.925 -3.865 10.679 1.00 0.00 C ATOM 886 OG SER A 58 9.697 -2.914 9.958 1.00 0.00 O ATOM 0 H SER A 58 8.618 -5.174 8.380 1.00 0.00 H new ATOM 0 HA SER A 58 6.830 -4.373 10.651 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.722 -3.498 11.685 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.481 -4.797 10.785 1.00 0.00 H new ATOM 0 HG SER A 58 9.233 -2.051 9.954 1.00 0.00 H new ATOM 892 N LEU A 59 6.524 -3.006 8.074 1.00 0.00 N ATOM 893 CA LEU A 59 6.101 -1.811 7.294 1.00 0.00 C ATOM 894 C LEU A 59 4.576 -1.724 7.284 1.00 0.00 C ATOM 895 O LEU A 59 3.997 -0.765 7.754 1.00 0.00 O ATOM 896 CB LEU A 59 6.609 -1.925 5.854 1.00 0.00 C ATOM 897 CG LEU A 59 6.418 -0.591 5.132 1.00 0.00 C ATOM 898 CD1 LEU A 59 7.230 0.489 5.842 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.903 -0.724 3.686 1.00 0.00 C ATOM 0 H LEU A 59 6.240 -3.904 7.683 1.00 0.00 H new ATOM 0 HA LEU A 59 6.518 -0.916 7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.663 -2.203 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.070 -2.714 5.329 1.00 0.00 H new ATOM 0 HG LEU A 59 5.363 -0.318 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.096 1.441 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.890 0.581 6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.285 0.217 5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.768 0.226 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.959 -0.994 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.328 -1.499 3.179 1.00 0.00 H new ATOM 911 N SER A 60 3.920 -2.705 6.727 1.00 0.00 N ATOM 912 CA SER A 60 2.434 -2.657 6.664 1.00 0.00 C ATOM 913 C SER A 60 1.825 -3.080 7.999 1.00 0.00 C ATOM 914 O SER A 60 2.511 -3.255 8.987 1.00 0.00 O ATOM 915 CB SER A 60 1.947 -3.599 5.574 1.00 0.00 C ATOM 916 OG SER A 60 1.465 -2.833 4.478 1.00 0.00 O ATOM 0 H SER A 60 4.348 -3.534 6.315 1.00 0.00 H new ATOM 0 HA SER A 60 2.126 -1.635 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.759 -4.250 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.156 -4.243 5.959 1.00 0.00 H new ATOM 0 HG SER A 60 2.208 -2.339 4.073 1.00 0.00 H new ATOM 922 N HIS A 61 0.531 -3.247 8.026 1.00 0.00 N ATOM 923 CA HIS A 61 -0.148 -3.660 9.284 1.00 0.00 C ATOM 924 C HIS A 61 -0.764 -5.048 9.094 1.00 0.00 C ATOM 925 O HIS A 61 -1.027 -5.474 7.987 1.00 0.00 O ATOM 926 CB HIS A 61 -1.247 -2.650 9.624 1.00 0.00 C ATOM 927 CG HIS A 61 -2.309 -2.677 8.559 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.256 -3.692 8.481 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.589 -1.817 7.526 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.052 -3.413 7.430 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.687 -2.286 6.819 1.00 0.00 N ATOM 0 H HIS A 61 -0.087 -3.114 7.226 1.00 0.00 H new ATOM 0 HA HIS A 61 0.576 -3.693 10.098 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.685 -2.887 10.594 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.823 -1.649 9.702 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.334 -4.497 9.103 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.040 -0.915 7.299 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.884 -4.028 7.120 1.00 0.00 H new ATOM 939 N LYS A 62 -0.994 -5.756 10.164 1.00 0.00 N ATOM 940 CA LYS A 62 -1.589 -7.117 10.045 1.00 0.00 C ATOM 941 C LYS A 62 -3.067 -7.068 10.430 1.00 0.00 C ATOM 942 O LYS A 62 -3.816 -7.989 10.172 1.00 0.00 O ATOM 943 CB LYS A 62 -0.860 -8.077 10.985 1.00 0.00 C ATOM 944 CG LYS A 62 -0.315 -9.262 10.186 1.00 0.00 C ATOM 945 CD LYS A 62 -0.148 -10.468 11.111 1.00 0.00 C ATOM 946 CE LYS A 62 1.323 -10.887 11.143 1.00 0.00 C ATOM 947 NZ LYS A 62 2.148 -9.767 11.681 1.00 0.00 N ATOM 0 H LYS A 62 -0.796 -5.451 11.117 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.490 -7.462 9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.044 -7.559 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.540 -8.430 11.760 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.995 -9.508 9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.642 -9.001 9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.488 -10.219 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.765 -11.296 10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.446 -11.774 11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.659 -11.151 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.971 -10.153 12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.473 -9.167 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.576 -9.198 12.337 1.00 0.00 H new ATOM 961 N GLN A 63 -3.494 -6.005 11.052 1.00 0.00 N ATOM 962 CA GLN A 63 -4.923 -5.911 11.456 1.00 0.00 C ATOM 963 C GLN A 63 -5.778 -5.576 10.233 1.00 0.00 C ATOM 964 O GLN A 63 -5.486 -4.659 9.492 1.00 0.00 O ATOM 965 CB GLN A 63 -5.087 -4.814 12.509 1.00 0.00 C ATOM 966 CG GLN A 63 -4.002 -4.964 13.577 1.00 0.00 C ATOM 967 CD GLN A 63 -4.457 -5.979 14.627 1.00 0.00 C ATOM 968 OE1 GLN A 63 -4.779 -7.105 14.302 1.00 0.00 O ATOM 969 NE2 GLN A 63 -4.499 -5.626 15.882 1.00 0.00 N ATOM 0 H GLN A 63 -2.917 -5.200 11.297 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.244 -6.865 11.874 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.017 -3.832 12.040 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.074 -4.879 12.967 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.069 -5.292 13.119 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.805 -4.001 14.048 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.229 -4.681 16.155 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.802 -6.295 16.590 1.00 0.00 H new ATOM 978 N LEU A 64 -6.832 -6.312 10.016 1.00 0.00 N ATOM 979 CA LEU A 64 -7.705 -6.034 8.843 1.00 0.00 C ATOM 980 C LEU A 64 -8.277 -4.621 8.960 1.00 0.00 C ATOM 981 O LEU A 64 -8.007 -3.907 9.905 1.00 0.00 O ATOM 982 CB LEU A 64 -8.853 -7.045 8.811 1.00 0.00 C ATOM 983 CG LEU A 64 -8.357 -8.366 8.221 1.00 0.00 C ATOM 984 CD1 LEU A 64 -7.471 -9.080 9.243 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.557 -9.252 7.880 1.00 0.00 C ATOM 0 H LEU A 64 -7.126 -7.094 10.601 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.121 -6.117 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.237 -7.206 9.818 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.678 -6.655 8.214 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.781 -8.168 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.117 -10.022 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.617 -8.449 9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.046 -9.279 10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.206 -10.194 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.132 -9.450 8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.190 -8.743 7.153 1.00 0.00 H new ATOM 997 N LEU A 65 -9.069 -4.212 8.008 1.00 0.00 N ATOM 998 CA LEU A 65 -9.659 -2.846 8.067 1.00 0.00 C ATOM 999 C LEU A 65 -11.085 -2.933 8.614 1.00 0.00 C ATOM 1000 O LEU A 65 -11.861 -3.782 8.221 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.688 -2.244 6.661 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.606 -1.170 6.539 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.257 -1.752 6.962 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -8.523 -0.695 5.087 1.00 0.00 C ATOM 0 H LEU A 65 -9.333 -4.765 7.192 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.056 -2.215 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.525 -3.024 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.668 -1.811 6.460 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.856 -0.328 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.487 -0.986 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.315 -2.092 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.006 -2.594 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.752 0.071 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.273 -1.538 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.484 -0.279 4.785 1.00 0.00 H new ATOM 1016 N MET A 66 -11.438 -2.062 9.519 1.00 0.00 N ATOM 1017 CA MET A 66 -12.814 -2.093 10.090 1.00 0.00 C ATOM 1018 C MET A 66 -13.449 -0.707 9.962 1.00 0.00 C ATOM 1019 O MET A 66 -14.565 -0.485 10.388 1.00 0.00 O ATOM 1020 CB MET A 66 -12.746 -2.489 11.567 1.00 0.00 C ATOM 1021 CG MET A 66 -12.619 -4.009 11.683 1.00 0.00 C ATOM 1022 SD MET A 66 -14.243 -4.725 12.041 1.00 0.00 S ATOM 1023 CE MET A 66 -14.548 -5.421 10.399 1.00 0.00 C ATOM 0 H MET A 66 -10.832 -1.329 9.888 1.00 0.00 H new ATOM 0 HA MET A 66 -13.417 -2.821 9.547 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.895 -2.005 12.045 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.641 -2.147 12.088 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.223 -4.423 10.756 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.914 -4.266 12.473 1.00 0.00 H new ATOM 0 HE1 MET A 66 -15.369 -6.136 10.454 1.00 0.00 H new ATOM 0 HE2 MET A 66 -14.809 -4.620 9.707 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.649 -5.927 10.046 1.00 0.00 H new ATOM 1033 N SER A 67 -12.748 0.228 9.379 1.00 0.00 N ATOM 1034 CA SER A 67 -13.316 1.597 9.226 1.00 0.00 C ATOM 1035 C SER A 67 -13.588 1.868 7.741 1.00 0.00 C ATOM 1036 O SER A 67 -12.721 1.671 6.914 1.00 0.00 O ATOM 1037 CB SER A 67 -12.313 2.624 9.752 1.00 0.00 C ATOM 1038 OG SER A 67 -12.899 3.919 9.705 1.00 0.00 O ATOM 0 H SER A 67 -11.808 0.103 9.003 1.00 0.00 H new ATOM 0 HA SER A 67 -14.246 1.673 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.026 2.379 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.403 2.602 9.152 1.00 0.00 H new ATOM 0 HG SER A 67 -12.328 4.554 10.186 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.784 2.313 7.443 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.189 2.619 6.060 1.00 0.00 C ATOM 1046 C PRO A 68 -14.625 3.974 5.623 1.00 0.00 C ATOM 1047 O PRO A 68 -15.273 4.994 5.747 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.717 2.667 6.136 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.071 2.954 7.614 1.00 0.00 C ATOM 1050 CD PRO A 68 -15.840 2.552 8.448 1.00 0.00 C ATOM 0 HA PRO A 68 -14.824 1.890 5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.114 3.444 5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.152 1.723 5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.309 4.008 7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.949 2.385 7.920 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.556 3.341 9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.035 1.658 9.041 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.425 3.995 5.110 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.833 5.288 4.666 1.00 0.00 C ATOM 1060 C GLY A 69 -11.620 5.622 5.532 1.00 0.00 C ATOM 1061 O GLY A 69 -11.352 6.770 5.827 1.00 0.00 O ATOM 0 H GLY A 69 -12.831 3.176 4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.538 5.223 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.575 6.083 4.740 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.881 4.628 5.940 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.681 4.886 6.784 1.00 0.00 C ATOM 1067 C GLN A 70 -9.022 3.555 7.149 1.00 0.00 C ATOM 1068 O GLN A 70 -9.575 2.763 7.886 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.104 5.613 8.062 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.859 6.031 8.846 1.00 0.00 C ATOM 1071 CD GLN A 70 -8.968 7.508 9.227 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -9.479 7.841 10.277 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -8.506 8.415 8.410 1.00 0.00 N ATOM 0 H GLN A 70 -11.057 3.647 5.725 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.973 5.504 6.232 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.702 6.490 7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.730 4.963 8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.759 5.420 9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.965 5.865 8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.077 8.136 7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.574 9.403 8.654 1.00 0.00 H new ATOM 1082 N SER A 71 -7.845 3.298 6.643 1.00 0.00 N ATOM 1083 CA SER A 71 -7.168 2.014 6.973 1.00 0.00 C ATOM 1084 C SER A 71 -6.039 2.276 7.981 1.00 0.00 C ATOM 1085 O SER A 71 -6.209 2.100 9.170 1.00 0.00 O ATOM 1086 CB SER A 71 -6.616 1.374 5.692 1.00 0.00 C ATOM 1087 OG SER A 71 -5.386 1.986 5.328 1.00 0.00 O ATOM 0 H SER A 71 -7.328 3.918 6.020 1.00 0.00 H new ATOM 0 HA SER A 71 -7.884 1.325 7.421 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.467 0.305 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.338 1.482 4.883 1.00 0.00 H new ATOM 0 HG SER A 71 -5.490 2.960 5.338 1.00 0.00 H new ATOM 1093 N THR A 72 -4.893 2.697 7.521 1.00 0.00 N ATOM 1094 CA THR A 72 -3.768 2.972 8.458 1.00 0.00 C ATOM 1095 C THR A 72 -2.744 3.877 7.769 1.00 0.00 C ATOM 1096 O THR A 72 -2.660 3.923 6.557 1.00 0.00 O ATOM 1097 CB THR A 72 -3.104 1.652 8.860 1.00 0.00 C ATOM 1098 OG1 THR A 72 -4.077 0.796 9.441 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.991 1.924 9.874 1.00 0.00 C ATOM 0 H THR A 72 -4.687 2.863 6.536 1.00 0.00 H new ATOM 0 HA THR A 72 -4.148 3.470 9.350 1.00 0.00 H new ATOM 0 HB THR A 72 -2.677 1.175 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.859 1.323 9.708 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.520 0.983 10.158 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.246 2.583 9.428 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.413 2.400 10.759 1.00 0.00 H new ATOM 1107 N SER A 73 -1.964 4.598 8.528 1.00 0.00 N ATOM 1108 CA SER A 73 -0.946 5.496 7.911 1.00 0.00 C ATOM 1109 C SER A 73 0.432 4.846 8.018 1.00 0.00 C ATOM 1110 O SER A 73 1.301 5.318 8.725 1.00 0.00 O ATOM 1111 CB SER A 73 -0.936 6.839 8.642 1.00 0.00 C ATOM 1112 OG SER A 73 -2.190 7.034 9.283 1.00 0.00 O ATOM 0 H SER A 73 -1.988 4.604 9.548 1.00 0.00 H new ATOM 0 HA SER A 73 -1.193 5.659 6.862 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.132 6.860 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.745 7.648 7.937 1.00 0.00 H new ATOM 0 HG SER A 73 -2.186 7.893 9.754 1.00 0.00 H new ATOM 1118 N THR A 74 0.637 3.764 7.323 1.00 0.00 N ATOM 1119 CA THR A 74 1.956 3.078 7.382 1.00 0.00 C ATOM 1120 C THR A 74 3.078 4.108 7.241 1.00 0.00 C ATOM 1121 O THR A 74 3.414 4.528 6.151 1.00 0.00 O ATOM 1122 CB THR A 74 2.054 2.062 6.241 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.026 1.091 6.383 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.419 1.372 6.283 1.00 0.00 C ATOM 0 H THR A 74 -0.054 3.324 6.715 1.00 0.00 H new ATOM 0 HA THR A 74 2.053 2.565 8.339 1.00 0.00 H new ATOM 0 HB THR A 74 1.939 2.576 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.087 0.441 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.486 0.649 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.207 2.117 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.537 0.857 7.237 1.00 0.00 H new ATOM 1132 N THR A 75 3.665 4.511 8.333 1.00 0.00 N ATOM 1133 CA THR A 75 4.770 5.504 8.260 1.00 0.00 C ATOM 1134 C THR A 75 6.048 4.779 7.842 1.00 0.00 C ATOM 1135 O THR A 75 6.744 4.202 8.654 1.00 0.00 O ATOM 1136 CB THR A 75 4.972 6.152 9.632 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.871 7.004 9.918 1.00 0.00 O ATOM 1138 CG2 THR A 75 6.265 6.968 9.628 1.00 0.00 C ATOM 0 H THR A 75 3.426 4.195 9.273 1.00 0.00 H new ATOM 0 HA THR A 75 4.526 6.280 7.535 1.00 0.00 H new ATOM 0 HB THR A 75 5.039 5.376 10.395 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.036 6.555 9.669 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.407 7.429 10.605 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.108 6.313 9.409 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.202 7.745 8.866 1.00 0.00 H new ATOM 1146 N PHE A 76 6.352 4.798 6.576 1.00 0.00 N ATOM 1147 CA PHE A 76 7.574 4.105 6.090 1.00 0.00 C ATOM 1148 C PHE A 76 8.763 4.486 6.982 1.00 0.00 C ATOM 1149 O PHE A 76 8.699 5.452 7.716 1.00 0.00 O ATOM 1150 CB PHE A 76 7.834 4.509 4.637 1.00 0.00 C ATOM 1151 CG PHE A 76 6.978 3.659 3.718 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.578 3.650 3.851 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.586 2.872 2.732 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.800 2.857 2.999 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.804 2.080 1.883 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.412 2.073 2.016 1.00 0.00 C ATOM 0 H PHE A 76 5.804 5.266 5.854 1.00 0.00 H new ATOM 0 HA PHE A 76 7.438 3.024 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.603 5.565 4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.889 4.378 4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.103 4.254 4.610 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.661 2.876 2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.725 2.851 3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.276 1.474 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.810 1.462 1.360 1.00 0.00 H new ATOM 1166 N PRO A 77 9.807 3.698 6.907 1.00 0.00 N ATOM 1167 CA PRO A 77 11.023 3.907 7.716 1.00 0.00 C ATOM 1168 C PRO A 77 11.870 5.050 7.153 1.00 0.00 C ATOM 1169 O PRO A 77 11.592 5.583 6.100 1.00 0.00 O ATOM 1170 CB PRO A 77 11.764 2.572 7.601 1.00 0.00 C ATOM 1171 CG PRO A 77 11.241 1.893 6.313 1.00 0.00 C ATOM 1172 CD PRO A 77 9.874 2.532 6.005 1.00 0.00 C ATOM 0 HA PRO A 77 10.801 4.184 8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.841 2.729 7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.576 1.947 8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.935 2.044 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.143 0.817 6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.802 2.833 4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.057 1.835 6.194 1.00 0.00 H new ATOM 1180 N ALA A 78 12.907 5.427 7.851 1.00 0.00 N ATOM 1181 CA ALA A 78 13.776 6.534 7.361 1.00 0.00 C ATOM 1182 C ALA A 78 14.751 5.996 6.311 1.00 0.00 C ATOM 1183 O ALA A 78 15.655 6.686 5.880 1.00 0.00 O ATOM 1184 CB ALA A 78 14.563 7.121 8.534 1.00 0.00 C ATOM 0 H ALA A 78 13.190 5.015 8.740 1.00 0.00 H new ATOM 0 HA ALA A 78 13.155 7.310 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.199 7.931 8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.869 7.507 9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.182 6.344 8.982 1.00 0.00 H new ATOM 1190 N ASP A 79 14.575 4.773 5.892 1.00 0.00 N ATOM 1191 CA ASP A 79 15.490 4.199 4.868 1.00 0.00 C ATOM 1192 C ASP A 79 14.822 4.282 3.496 1.00 0.00 C ATOM 1193 O ASP A 79 15.215 5.063 2.652 1.00 0.00 O ATOM 1194 CB ASP A 79 15.784 2.735 5.206 1.00 0.00 C ATOM 1195 CG ASP A 79 17.087 2.647 6.003 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.137 2.616 5.383 1.00 0.00 O ATOM 1197 OD2 ASP A 79 17.012 2.612 7.220 1.00 0.00 O ATOM 0 H ASP A 79 13.837 4.147 6.215 1.00 0.00 H new ATOM 0 HA ASP A 79 16.424 4.760 4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.962 2.312 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.865 2.149 4.291 1.00 0.00 H new ATOM 1202 N ALA A 80 13.812 3.488 3.268 1.00 0.00 N ATOM 1203 CA ALA A 80 13.116 3.525 1.952 1.00 0.00 C ATOM 1204 C ALA A 80 14.155 3.616 0.830 1.00 0.00 C ATOM 1205 O ALA A 80 14.515 4.696 0.407 1.00 0.00 O ATOM 1206 CB ALA A 80 12.194 4.746 1.901 1.00 0.00 C ATOM 0 H ALA A 80 13.439 2.815 3.937 1.00 0.00 H new ATOM 0 HA ALA A 80 12.524 2.619 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.683 4.776 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.457 4.679 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.785 5.653 2.027 1.00 0.00 H new ATOM 1212 N PRO A 81 14.608 2.472 0.384 1.00 0.00 N ATOM 1213 CA PRO A 81 15.614 2.380 -0.688 1.00 0.00 C ATOM 1214 C PRO A 81 14.979 2.670 -2.051 1.00 0.00 C ATOM 1215 O PRO A 81 13.982 2.082 -2.422 1.00 0.00 O ATOM 1216 CB PRO A 81 16.103 0.931 -0.602 1.00 0.00 C ATOM 1217 CG PRO A 81 14.986 0.136 0.114 1.00 0.00 C ATOM 1218 CD PRO A 81 14.155 1.164 0.904 1.00 0.00 C ATOM 0 HA PRO A 81 16.423 3.102 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.293 0.525 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.040 0.869 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.364 -0.394 -0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.410 -0.614 0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.086 1.020 0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.331 1.079 1.976 1.00 0.00 H new ATOM 1226 N ALA A 82 15.551 3.576 -2.795 1.00 0.00 N ATOM 1227 CA ALA A 82 14.987 3.912 -4.133 1.00 0.00 C ATOM 1228 C ALA A 82 14.591 2.626 -4.859 1.00 0.00 C ATOM 1229 O ALA A 82 15.311 1.647 -4.847 1.00 0.00 O ATOM 1230 CB ALA A 82 16.039 4.659 -4.954 1.00 0.00 C ATOM 0 H ALA A 82 16.387 4.099 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 82 14.107 4.542 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.629 4.906 -5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.320 5.576 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.919 4.028 -5.078 1.00 0.00 H new ATOM 1236 N GLY A 83 13.451 2.619 -5.491 1.00 0.00 N ATOM 1237 CA GLY A 83 13.008 1.396 -6.216 1.00 0.00 C ATOM 1238 C GLY A 83 11.481 1.363 -6.272 1.00 0.00 C ATOM 1239 O GLY A 83 10.810 2.175 -5.665 1.00 0.00 O ATOM 0 H GLY A 83 12.806 3.408 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.420 1.389 -7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.384 0.505 -5.712 1.00 0.00 H new ATOM 1243 N GLU A 84 10.925 0.431 -6.995 1.00 0.00 N ATOM 1244 CA GLU A 84 9.441 0.348 -7.089 1.00 0.00 C ATOM 1245 C GLU A 84 8.922 -0.687 -6.087 1.00 0.00 C ATOM 1246 O GLU A 84 9.352 -1.823 -6.075 1.00 0.00 O ATOM 1247 CB GLU A 84 9.039 -0.070 -8.507 1.00 0.00 C ATOM 1248 CG GLU A 84 9.965 0.599 -9.526 1.00 0.00 C ATOM 1249 CD GLU A 84 9.864 -0.135 -10.864 1.00 0.00 C ATOM 1250 OE1 GLU A 84 9.502 -1.300 -10.853 1.00 0.00 O ATOM 1251 OE2 GLU A 84 10.153 0.480 -11.878 1.00 0.00 O ATOM 0 H GLU A 84 11.434 -0.277 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 84 9.010 1.323 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.096 -1.154 -8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.005 0.214 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.689 1.646 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.994 0.581 -9.166 1.00 0.00 H new ATOM 1258 N TYR A 85 7.996 -0.305 -5.249 1.00 0.00 N ATOM 1259 CA TYR A 85 7.445 -1.269 -4.254 1.00 0.00 C ATOM 1260 C TYR A 85 6.136 -1.843 -4.795 1.00 0.00 C ATOM 1261 O TYR A 85 5.762 -1.590 -5.923 1.00 0.00 O ATOM 1262 CB TYR A 85 7.187 -0.548 -2.928 1.00 0.00 C ATOM 1263 CG TYR A 85 8.482 0.039 -2.416 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.079 1.114 -3.086 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.089 -0.494 -1.272 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.279 1.656 -2.613 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.290 0.047 -0.799 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.885 1.122 -1.470 1.00 0.00 C ATOM 1269 OH TYR A 85 12.070 1.656 -1.005 1.00 0.00 O ATOM 0 H TYR A 85 7.597 0.633 -5.211 1.00 0.00 H new ATOM 0 HA TYR A 85 8.158 -2.076 -4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.448 0.241 -3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.776 -1.244 -2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.613 1.525 -3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.630 -1.323 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.738 2.486 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.758 -0.365 0.083 1.00 0.00 H new ATOM 0 HH TYR A 85 12.562 2.059 -1.751 1.00 0.00 H new ATOM 1279 N THR A 86 5.433 -2.615 -4.013 1.00 0.00 N ATOM 1280 CA THR A 86 4.156 -3.191 -4.516 1.00 0.00 C ATOM 1281 C THR A 86 3.322 -3.737 -3.355 1.00 0.00 C ATOM 1282 O THR A 86 3.582 -4.805 -2.838 1.00 0.00 O ATOM 1283 CB THR A 86 4.462 -4.327 -5.496 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.190 -3.812 -6.602 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.153 -4.946 -5.988 1.00 0.00 C ATOM 0 H THR A 86 5.684 -2.869 -3.058 1.00 0.00 H new ATOM 0 HA THR A 86 3.591 -2.407 -5.019 1.00 0.00 H new ATOM 0 HB THR A 86 5.055 -5.091 -4.994 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.086 -2.838 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.372 -5.754 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.595 -5.341 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.557 -4.185 -6.491 1.00 0.00 H new ATOM 1293 N PHE A 87 2.304 -3.022 -2.962 1.00 0.00 N ATOM 1294 CA PHE A 87 1.432 -3.509 -1.860 1.00 0.00 C ATOM 1295 C PHE A 87 0.161 -4.094 -2.476 1.00 0.00 C ATOM 1296 O PHE A 87 -0.113 -3.894 -3.642 1.00 0.00 O ATOM 1297 CB PHE A 87 1.076 -2.363 -0.907 1.00 0.00 C ATOM 1298 CG PHE A 87 1.070 -1.066 -1.665 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.274 -0.396 -1.898 1.00 0.00 C ATOM 1300 CD2 PHE A 87 -0.131 -0.541 -2.144 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.278 0.803 -2.612 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.131 0.659 -2.857 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.074 1.334 -3.093 1.00 0.00 C ATOM 0 H PHE A 87 2.039 -2.120 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 87 1.958 -4.272 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.098 -2.539 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.797 -2.317 -0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.201 -0.806 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.059 -1.063 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.208 1.321 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.060 1.067 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.075 2.262 -3.645 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.617 -4.823 -1.724 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.850 -5.409 -2.315 1.00 0.00 C ATOM 1315 C TYR A 88 -2.846 -5.785 -1.216 1.00 0.00 C ATOM 1316 O TYR A 88 -2.863 -5.208 -0.147 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.478 -6.662 -3.107 1.00 0.00 C ATOM 1318 CG TYR A 88 -1.022 -7.733 -2.147 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.143 -7.544 -1.395 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.766 -8.910 -2.002 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.567 -8.532 -0.500 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.343 -9.898 -1.106 1.00 0.00 C ATOM 1323 CZ TYR A 88 -0.177 -9.709 -0.355 1.00 0.00 C ATOM 1324 OH TYR A 88 0.240 -10.683 0.529 1.00 0.00 O ATOM 0 H TYR A 88 -0.455 -5.036 -0.740 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.313 -4.671 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.335 -7.012 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.686 -6.435 -3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.715 -6.635 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.666 -9.055 -2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.467 -8.387 0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.916 -10.806 -0.994 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.389 -11.434 0.509 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.686 -6.749 -1.486 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.700 -7.174 -0.482 1.00 0.00 C ATOM 1336 C CYS A 89 -4.637 -8.693 -0.304 1.00 0.00 C ATOM 1337 O CYS A 89 -4.340 -9.424 -1.228 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.089 -6.788 -0.990 1.00 0.00 C ATOM 1339 SG CYS A 89 -7.119 -6.234 0.388 1.00 0.00 S ATOM 0 H CYS A 89 -3.712 -7.263 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.500 -6.687 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.006 -5.996 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.555 -7.641 -1.483 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.922 -9.175 0.874 1.00 0.00 N ATOM 1345 CA GLU A 90 -4.886 -10.647 1.106 1.00 0.00 C ATOM 1346 C GLU A 90 -6.215 -11.294 0.674 1.00 0.00 C ATOM 1347 O GLU A 90 -6.204 -12.336 0.049 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.627 -10.933 2.589 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.467 -12.441 2.796 1.00 0.00 C ATOM 1350 CD GLU A 90 -3.002 -12.764 3.096 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -2.213 -12.767 2.165 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -2.693 -13.004 4.252 1.00 0.00 O ATOM 0 H GLU A 90 -5.178 -8.614 1.686 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.080 -11.074 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.728 -10.412 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.453 -10.558 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.100 -12.775 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.793 -12.977 1.905 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.326 -10.675 1.019 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.659 -11.202 0.668 1.00 0.00 C ATOM 1361 C PRO A 91 -9.002 -10.891 -0.795 1.00 0.00 C ATOM 1362 O PRO A 91 -9.096 -11.779 -1.619 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.602 -10.465 1.622 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.867 -9.176 2.054 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.369 -9.408 1.782 1.00 0.00 C ATOM 0 HA PRO A 91 -8.725 -12.286 0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.545 -10.228 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.841 -11.084 2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.233 -8.316 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.041 -8.967 3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.937 -8.586 1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.803 -9.484 2.711 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.196 -9.641 -1.127 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.537 -9.291 -2.538 1.00 0.00 C ATOM 1375 C HIS A 92 -8.350 -9.615 -3.447 1.00 0.00 C ATOM 1376 O HIS A 92 -7.640 -8.734 -3.891 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.852 -7.797 -2.647 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.981 -7.442 -1.718 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.756 -7.105 -0.390 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -12.338 -7.353 -1.912 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.963 -6.837 0.156 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.945 -6.975 -0.729 1.00 0.00 N ATOM 0 H HIS A 92 -9.133 -8.851 -0.485 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.409 -9.870 -2.843 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.967 -7.211 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.122 -7.547 -3.673 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.850 -7.548 -2.843 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.111 -6.546 1.185 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.942 -6.831 -0.568 1.00 0.00 H new ATOM 1390 N ARG A 93 -8.130 -10.867 -3.735 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.991 -11.233 -4.622 1.00 0.00 C ATOM 1392 C ARG A 93 -7.480 -11.287 -6.069 1.00 0.00 C ATOM 1393 O ARG A 93 -8.245 -12.152 -6.444 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.440 -12.601 -4.214 1.00 0.00 C ATOM 1395 CG ARG A 93 -5.322 -12.411 -3.187 1.00 0.00 C ATOM 1396 CD ARG A 93 -4.860 -13.775 -2.671 1.00 0.00 C ATOM 1397 NE ARG A 93 -5.792 -14.243 -1.607 1.00 0.00 N ATOM 1398 CZ ARG A 93 -5.717 -15.469 -1.169 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -5.721 -16.465 -2.013 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -5.639 -15.701 0.113 1.00 0.00 N ATOM 0 H ARG A 93 -8.688 -11.651 -3.396 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.201 -10.488 -4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.236 -13.215 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.060 -13.128 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.485 -11.880 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.677 -11.799 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.833 -14.495 -3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.847 -13.703 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.488 -13.605 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.783 -16.284 -3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.662 -17.424 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.637 -14.923 0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.580 -16.660 0.455 1.00 0.00 H new ATOM 1414 N GLY A 94 -7.049 -10.364 -6.883 1.00 0.00 N ATOM 1415 CA GLY A 94 -7.495 -10.357 -8.304 1.00 0.00 C ATOM 1416 C GLY A 94 -8.433 -9.170 -8.538 1.00 0.00 C ATOM 1417 O GLY A 94 -8.949 -8.979 -9.621 1.00 0.00 O ATOM 0 H GLY A 94 -6.407 -9.614 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.632 -10.289 -8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.006 -11.290 -8.541 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.659 -8.370 -7.529 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.563 -7.197 -7.696 1.00 0.00 C ATOM 1423 C ALA A 95 -8.728 -5.942 -7.948 1.00 0.00 C ATOM 1424 O ALA A 95 -9.085 -4.853 -7.547 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.400 -7.008 -6.430 1.00 0.00 C ATOM 0 H ALA A 95 -8.257 -8.479 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.226 -7.370 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.060 -6.150 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.997 -7.902 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.740 -6.837 -5.580 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.622 -6.088 -8.618 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.762 -4.907 -8.908 1.00 0.00 C ATOM 1433 C GLY A 96 -6.217 -4.317 -7.604 1.00 0.00 C ATOM 1434 O GLY A 96 -5.689 -3.223 -7.586 1.00 0.00 O ATOM 0 H GLY A 96 -7.274 -6.976 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.936 -5.200 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.337 -4.152 -9.445 1.00 0.00 H new ATOM 1438 N MET A 97 -6.331 -5.024 -6.510 1.00 0.00 N ATOM 1439 CA MET A 97 -5.804 -4.479 -5.225 1.00 0.00 C ATOM 1440 C MET A 97 -4.276 -4.560 -5.233 1.00 0.00 C ATOM 1441 O MET A 97 -3.680 -5.254 -4.435 1.00 0.00 O ATOM 1442 CB MET A 97 -6.350 -5.292 -4.047 1.00 0.00 C ATOM 1443 CG MET A 97 -7.866 -5.437 -4.180 1.00 0.00 C ATOM 1444 SD MET A 97 -8.682 -4.712 -2.731 1.00 0.00 S ATOM 1445 CE MET A 97 -8.016 -3.038 -2.881 1.00 0.00 C ATOM 0 H MET A 97 -6.762 -5.947 -6.451 1.00 0.00 H new ATOM 0 HA MET A 97 -6.120 -3.441 -5.118 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.882 -6.276 -4.023 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.103 -4.799 -3.107 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.210 -4.942 -5.088 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.133 -6.490 -4.271 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.433 -2.798 -1.992 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.377 -2.978 -3.762 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.837 -2.327 -2.979 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.638 -3.862 -6.134 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.149 -3.904 -6.194 1.00 0.00 C ATOM 1457 C VAL A 98 -1.607 -2.504 -6.501 1.00 0.00 C ATOM 1458 O VAL A 98 -1.725 -2.012 -7.605 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.715 -4.873 -7.295 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.207 -5.108 -7.206 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.449 -6.204 -7.115 1.00 0.00 C ATOM 0 H VAL A 98 -4.084 -3.265 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.755 -4.240 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.958 -4.449 -8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.101 -5.799 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.317 -4.160 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.038 -5.533 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.142 -6.897 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.204 -6.626 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.524 -6.038 -7.178 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.009 -1.860 -5.534 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.460 -0.500 -5.775 1.00 0.00 C ATOM 1473 C GLY A 99 1.068 -0.546 -5.706 1.00 0.00 C ATOM 1474 O GLY A 99 1.656 -1.585 -5.477 1.00 0.00 O ATOM 0 H GLY A 99 -0.879 -2.220 -4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.780 -0.135 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.847 0.197 -5.032 1.00 0.00 H new ATOM 1478 N LYS A 100 1.720 0.569 -5.907 1.00 0.00 N ATOM 1479 CA LYS A 100 3.211 0.578 -5.855 1.00 0.00 C ATOM 1480 C LYS A 100 3.707 1.966 -5.436 1.00 0.00 C ATOM 1481 O LYS A 100 3.256 2.975 -5.940 1.00 0.00 O ATOM 1482 CB LYS A 100 3.775 0.239 -7.237 1.00 0.00 C ATOM 1483 CG LYS A 100 3.103 -1.026 -7.775 1.00 0.00 C ATOM 1484 CD LYS A 100 3.608 -1.309 -9.191 1.00 0.00 C ATOM 1485 CE LYS A 100 2.436 -1.253 -10.172 1.00 0.00 C ATOM 1486 NZ LYS A 100 2.105 0.170 -10.468 1.00 0.00 N ATOM 0 H LYS A 100 1.286 1.471 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 100 3.547 -0.163 -5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.608 1.070 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.853 0.090 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.322 -1.872 -7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.020 -0.901 -7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.366 -0.577 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.082 -2.290 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.693 -1.777 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.568 -1.759 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.308 0.210 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.843 0.656 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.932 0.639 -10.889 1.00 0.00 H new ATOM 1500 N ILE A 101 4.640 2.022 -4.524 1.00 0.00 N ATOM 1501 CA ILE A 101 5.173 3.341 -4.079 1.00 0.00 C ATOM 1502 C ILE A 101 6.452 3.650 -4.868 1.00 0.00 C ATOM 1503 O ILE A 101 7.331 2.822 -4.990 1.00 0.00 O ATOM 1504 CB ILE A 101 5.461 3.288 -2.559 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.376 4.076 -1.814 1.00 0.00 C ATOM 1506 CG2 ILE A 101 6.836 3.892 -2.231 1.00 0.00 C ATOM 1507 CD1 ILE A 101 4.818 4.328 -0.368 1.00 0.00 C ATOM 0 H ILE A 101 5.056 1.210 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 101 4.445 4.130 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 101 5.460 2.244 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.192 5.025 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.438 3.521 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.009 3.840 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.613 3.332 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.862 4.933 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.044 4.888 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.980 3.374 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.745 4.901 -0.366 1.00 0.00 H new ATOM 1519 N THR A 102 6.568 4.838 -5.391 1.00 0.00 N ATOM 1520 CA THR A 102 7.797 5.194 -6.152 1.00 0.00 C ATOM 1521 C THR A 102 8.638 6.155 -5.310 1.00 0.00 C ATOM 1522 O THR A 102 8.392 7.343 -5.273 1.00 0.00 O ATOM 1523 CB THR A 102 7.413 5.866 -7.474 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.030 5.657 -7.727 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.239 5.261 -8.611 1.00 0.00 C ATOM 0 H THR A 102 5.867 5.576 -5.325 1.00 0.00 H new ATOM 0 HA THR A 102 8.370 4.293 -6.368 1.00 0.00 H new ATOM 0 HB THR A 102 7.612 6.936 -7.411 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.783 6.088 -8.572 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.967 5.738 -9.552 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.299 5.422 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.040 4.191 -8.676 1.00 0.00 H new ATOM 1533 N VAL A 103 9.624 5.652 -4.624 1.00 0.00 N ATOM 1534 CA VAL A 103 10.466 6.543 -3.780 1.00 0.00 C ATOM 1535 C VAL A 103 11.758 6.880 -4.526 1.00 0.00 C ATOM 1536 O VAL A 103 12.820 6.382 -4.209 1.00 0.00 O ATOM 1537 CB VAL A 103 10.796 5.834 -2.465 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.301 6.855 -1.447 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.536 5.158 -1.921 1.00 0.00 C ATOM 0 H VAL A 103 9.883 4.666 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 103 9.924 7.464 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 103 11.567 5.084 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.536 6.349 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.198 7.340 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.530 7.605 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.770 4.652 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.767 5.910 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.172 4.429 -2.645 1.00 0.00 H new ATOM 1549 N ALA A 104 11.672 7.725 -5.518 1.00 0.00 N ATOM 1550 CA ALA A 104 12.890 8.100 -6.288 1.00 0.00 C ATOM 1551 C ALA A 104 13.580 6.835 -6.802 1.00 0.00 C ATOM 1552 O ALA A 104 14.789 6.776 -6.906 1.00 0.00 O ATOM 1553 CB ALA A 104 13.846 8.874 -5.379 1.00 0.00 C ATOM 0 H ALA A 104 10.809 8.172 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 104 12.608 8.725 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.739 9.150 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.353 9.776 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.129 8.249 -4.532 1.00 0.00 H new ATOM 1559 N GLY A 105 12.822 5.822 -7.124 1.00 0.00 N ATOM 1560 CA GLY A 105 13.436 4.559 -7.628 1.00 0.00 C ATOM 1561 C GLY A 105 14.109 4.814 -8.978 1.00 0.00 C ATOM 1562 O GLY A 105 14.319 5.970 -9.306 1.00 0.00 O ATOM 1563 OXT GLY A 105 14.403 3.847 -9.661 1.00 0.00 O ATOM 0 H GLY A 105 11.804 5.814 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.168 4.188 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 105 12.672 3.788 -7.732 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -9.130 -5.891 -0.115 1.00 0.00 CU