USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 631 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 33 ASN : amide:sc= -0.597 K(o=-3.2,f=-2.1) USER MOD Set 1.2: A 54 ASN : amide:sc= -2.62! C(o=-3.2!,f=-9.9!) USER MOD Set 2.1: A 52 TYR OH : rot 30:sc= 0.306 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -135:sc= 0.557! (180deg=0.107) USER MOD Set 3.1: A 43 ASN : amide:sc= -14.1! C(o=-17!,f=-4.1!) USER MOD Set 3.2: A 48 SER OG : rot 180:sc= -3.07! USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 17 GLN : amide:sc= -8.48! C(o=-8.5!,f=-6.2!) USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= 1.33 (180deg=0.654) USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 0.816 (180deg=-0.149) USER MOD Single : A 22 THR OG1 : rot 86:sc= 0.828 USER MOD Single : A 24 TYR OH : rot 120:sc= 0.897 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc=-0.00211 (180deg=-0.296) USER MOD Single : A 27 HIS : no HE2:sc= -2.95! C(o=-3!,f=-5.1!) USER MOD Single : A 28 ASN : amide:sc= -0.951 K(o=-0.95,f=-2) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 124:sc= 0.317 USER MOD Single : A 39 ASN : amide:sc= -0.0824 K(o=-0.082,f=-1.6!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.987 K(o=-0.99,f=-0.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -21:sc= 1.08 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -172:sc= 0.104 USER MOD Single : A 73 SER OG : rot -100:sc= -1.65 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= -0.0143 (180deg=-0.0143) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.0863 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -8.499 11.939 -10.699 1.00 0.00 N ATOM 12 CA PHE A 13 -9.072 11.146 -9.571 1.00 0.00 C ATOM 13 C PHE A 13 -8.150 9.960 -9.275 1.00 0.00 C ATOM 14 O PHE A 13 -7.862 9.642 -8.139 1.00 0.00 O ATOM 15 CB PHE A 13 -10.454 10.624 -9.966 1.00 0.00 C ATOM 16 CG PHE A 13 -11.089 9.923 -8.788 1.00 0.00 C ATOM 17 CD1 PHE A 13 -11.607 10.677 -7.729 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.173 8.525 -8.759 1.00 0.00 C ATOM 19 CE1 PHE A 13 -12.194 10.033 -6.632 1.00 0.00 C ATOM 20 CE2 PHE A 13 -11.759 7.881 -7.662 1.00 0.00 C ATOM 21 CZ PHE A 13 -12.277 8.636 -6.602 1.00 0.00 C ATOM 0 HA PHE A 13 -9.161 11.777 -8.686 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.085 11.450 -10.294 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.367 9.936 -10.807 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -11.554 11.755 -7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.786 7.944 -9.583 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.583 10.615 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -11.811 6.803 -7.633 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.740 8.140 -5.762 1.00 0.00 H new ATOM 31 N PHE A 14 -7.693 9.306 -10.306 1.00 0.00 N ATOM 32 CA PHE A 14 -6.791 8.132 -10.120 1.00 0.00 C ATOM 33 C PHE A 14 -5.524 8.571 -9.377 1.00 0.00 C ATOM 34 O PHE A 14 -5.053 7.900 -8.478 1.00 0.00 O ATOM 35 CB PHE A 14 -6.412 7.573 -11.489 1.00 0.00 C ATOM 36 CG PHE A 14 -7.623 6.924 -12.118 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.973 5.616 -11.766 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.397 7.630 -13.049 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.096 5.012 -12.343 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.520 7.026 -13.626 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.869 5.715 -13.272 1.00 0.00 C ATOM 0 H PHE A 14 -7.906 9.535 -11.277 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.301 7.365 -9.538 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.040 8.372 -12.130 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.607 6.845 -11.387 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.376 5.072 -11.049 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.127 8.640 -13.321 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.366 4.002 -12.070 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.117 7.569 -14.343 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.735 5.248 -13.717 1.00 0.00 H new ATOM 51 N ASN A 15 -4.976 9.696 -9.748 1.00 0.00 N ATOM 52 CA ASN A 15 -3.745 10.189 -9.063 1.00 0.00 C ATOM 53 C ASN A 15 -4.068 10.460 -7.591 1.00 0.00 C ATOM 54 O ASN A 15 -3.305 10.141 -6.701 1.00 0.00 O ATOM 55 CB ASN A 15 -3.285 11.489 -9.722 1.00 0.00 C ATOM 56 CG ASN A 15 -2.023 12.002 -9.023 1.00 0.00 C ATOM 57 OD1 ASN A 15 -1.068 11.271 -8.859 1.00 0.00 O ATOM 58 ND2 ASN A 15 -1.982 13.237 -8.603 1.00 0.00 N ATOM 0 H ASN A 15 -5.326 10.295 -10.495 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.956 9.441 -9.139 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.084 11.321 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.075 12.238 -9.663 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.146 13.589 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.786 13.850 -8.742 1.00 0.00 H new ATOM 65 N GLU A 16 -5.210 11.041 -7.342 1.00 0.00 N ATOM 66 CA GLU A 16 -5.621 11.343 -5.938 1.00 0.00 C ATOM 67 C GLU A 16 -5.842 10.029 -5.178 1.00 0.00 C ATOM 68 O GLU A 16 -5.521 9.907 -4.012 1.00 0.00 O ATOM 69 CB GLU A 16 -6.930 12.137 -5.956 1.00 0.00 C ATOM 70 CG GLU A 16 -6.693 13.531 -6.547 1.00 0.00 C ATOM 71 CD GLU A 16 -5.788 14.341 -5.617 1.00 0.00 C ATOM 72 OE1 GLU A 16 -5.715 13.999 -4.448 1.00 0.00 O ATOM 73 OE2 GLU A 16 -5.181 15.288 -6.089 1.00 0.00 O ATOM 0 H GLU A 16 -5.882 11.322 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.841 11.925 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.678 11.606 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.325 12.225 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.234 13.445 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.644 14.045 -6.682 1.00 0.00 H new ATOM 80 N GLN A 17 -6.404 9.053 -5.839 1.00 0.00 N ATOM 81 CA GLN A 17 -6.668 7.743 -5.170 1.00 0.00 C ATOM 82 C GLN A 17 -5.351 7.105 -4.722 1.00 0.00 C ATOM 83 O GLN A 17 -5.239 6.575 -3.632 1.00 0.00 O ATOM 84 CB GLN A 17 -7.367 6.804 -6.159 1.00 0.00 C ATOM 85 CG GLN A 17 -7.686 5.465 -5.480 1.00 0.00 C ATOM 86 CD GLN A 17 -8.634 5.702 -4.306 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.530 6.518 -4.386 1.00 0.00 O ATOM 88 NE2 GLN A 17 -8.466 5.021 -3.204 1.00 0.00 N ATOM 0 H GLN A 17 -6.693 9.105 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.301 7.910 -4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.286 7.264 -6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.729 6.638 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.141 4.781 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.767 4.995 -5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.713 4.336 -3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.088 5.174 -2.410 1.00 0.00 H new ATOM 97 N LYS A 18 -4.358 7.144 -5.568 1.00 0.00 N ATOM 98 CA LYS A 18 -3.039 6.537 -5.217 1.00 0.00 C ATOM 99 C LYS A 18 -2.446 7.277 -4.015 1.00 0.00 C ATOM 100 O LYS A 18 -1.873 6.685 -3.120 1.00 0.00 O ATOM 101 CB LYS A 18 -2.091 6.659 -6.408 1.00 0.00 C ATOM 102 CG LYS A 18 -2.564 5.741 -7.540 1.00 0.00 C ATOM 103 CD LYS A 18 -1.615 5.867 -8.736 1.00 0.00 C ATOM 104 CE LYS A 18 -2.125 5.002 -9.891 1.00 0.00 C ATOM 105 NZ LYS A 18 -2.028 3.562 -9.516 1.00 0.00 N ATOM 0 H LYS A 18 -4.402 7.572 -6.493 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.175 5.485 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.058 7.692 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.078 6.390 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.595 4.708 -7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.578 6.008 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.547 6.908 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.611 5.554 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.158 5.259 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.539 5.195 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.974 2.982 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.174 3.410 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.868 3.289 -8.967 1.00 0.00 H new ATOM 119 N GLU A 19 -2.589 8.573 -4.003 1.00 0.00 N ATOM 120 CA GLU A 19 -2.048 9.389 -2.876 1.00 0.00 C ATOM 121 C GLU A 19 -2.765 9.007 -1.575 1.00 0.00 C ATOM 122 O GLU A 19 -2.154 8.839 -0.538 1.00 0.00 O ATOM 123 CB GLU A 19 -2.305 10.869 -3.174 1.00 0.00 C ATOM 124 CG GLU A 19 -1.430 11.338 -4.343 1.00 0.00 C ATOM 125 CD GLU A 19 0.042 11.292 -3.936 1.00 0.00 C ATOM 126 OE1 GLU A 19 0.308 11.317 -2.744 1.00 0.00 O ATOM 127 OE2 GLU A 19 0.882 11.244 -4.820 1.00 0.00 O ATOM 0 H GLU A 19 -3.062 9.108 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.979 9.206 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.357 11.021 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.091 11.467 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.597 10.702 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.706 12.352 -4.632 1.00 0.00 H new ATOM 134 N LYS A 20 -4.063 8.874 -1.636 1.00 0.00 N ATOM 135 CA LYS A 20 -4.850 8.506 -0.418 1.00 0.00 C ATOM 136 C LYS A 20 -4.451 7.108 0.070 1.00 0.00 C ATOM 137 O LYS A 20 -4.297 6.869 1.253 1.00 0.00 O ATOM 138 CB LYS A 20 -6.341 8.506 -0.759 1.00 0.00 C ATOM 139 CG LYS A 20 -6.832 9.944 -0.958 1.00 0.00 C ATOM 140 CD LYS A 20 -8.360 9.958 -1.105 1.00 0.00 C ATOM 141 CE LYS A 20 -8.770 9.376 -2.461 1.00 0.00 C ATOM 142 NZ LYS A 20 -10.201 9.696 -2.724 1.00 0.00 N ATOM 0 H LYS A 20 -4.618 9.005 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.644 9.233 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.516 7.925 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.906 8.027 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.534 10.560 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.369 10.376 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.815 9.379 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.732 10.979 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.142 9.789 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.620 8.296 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.640 8.915 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.699 9.826 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.264 10.570 -3.283 1.00 0.00 H new ATOM 156 N VAL A 21 -4.298 6.183 -0.840 1.00 0.00 N ATOM 157 CA VAL A 21 -3.922 4.789 -0.452 1.00 0.00 C ATOM 158 C VAL A 21 -2.524 4.787 0.179 1.00 0.00 C ATOM 159 O VAL A 21 -2.279 4.149 1.185 1.00 0.00 O ATOM 160 CB VAL A 21 -3.922 3.900 -1.697 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.364 2.518 -1.346 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.355 3.755 -2.224 1.00 0.00 C ATOM 0 H VAL A 21 -4.418 6.333 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.643 4.407 0.271 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.297 4.356 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.366 1.888 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.344 2.621 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.985 2.060 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.354 3.122 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.981 3.302 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.749 4.738 -2.481 1.00 0.00 H new ATOM 172 N THR A 22 -1.607 5.490 -0.425 1.00 0.00 N ATOM 173 CA THR A 22 -0.217 5.548 0.113 1.00 0.00 C ATOM 174 C THR A 22 -0.225 6.176 1.508 1.00 0.00 C ATOM 175 O THR A 22 0.454 5.728 2.411 1.00 0.00 O ATOM 176 CB THR A 22 0.657 6.383 -0.824 1.00 0.00 C ATOM 177 OG1 THR A 22 0.474 5.935 -2.161 1.00 0.00 O ATOM 178 CG2 THR A 22 2.128 6.241 -0.427 1.00 0.00 C ATOM 0 H THR A 22 -1.761 6.032 -1.275 1.00 0.00 H new ATOM 0 HA THR A 22 0.186 4.537 0.181 1.00 0.00 H new ATOM 0 HB THR A 22 0.370 7.432 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.297 6.393 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.745 6.838 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.264 6.589 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.424 5.194 -0.497 1.00 0.00 H new ATOM 186 N LEU A 23 -0.987 7.221 1.682 1.00 0.00 N ATOM 187 CA LEU A 23 -1.041 7.894 3.012 1.00 0.00 C ATOM 188 C LEU A 23 -1.551 6.908 4.066 1.00 0.00 C ATOM 189 O LEU A 23 -1.031 6.821 5.163 1.00 0.00 O ATOM 190 CB LEU A 23 -2.009 9.083 2.940 1.00 0.00 C ATOM 191 CG LEU A 23 -2.140 9.746 4.320 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.755 10.170 4.828 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.048 10.974 4.212 1.00 0.00 C ATOM 0 H LEU A 23 -1.575 7.638 0.961 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.043 8.239 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.650 9.810 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.987 8.745 2.597 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.574 9.034 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.854 10.639 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.113 9.293 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.312 10.879 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.141 11.445 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.616 11.685 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.034 10.668 3.861 1.00 0.00 H new ATOM 205 N TYR A 24 -2.576 6.179 3.733 1.00 0.00 N ATOM 206 CA TYR A 24 -3.156 5.197 4.696 1.00 0.00 C ATOM 207 C TYR A 24 -2.119 4.121 5.044 1.00 0.00 C ATOM 208 O TYR A 24 -1.935 3.761 6.190 1.00 0.00 O ATOM 209 CB TYR A 24 -4.381 4.541 4.058 1.00 0.00 C ATOM 210 CG TYR A 24 -4.913 3.468 4.975 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.667 3.821 6.098 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.645 2.120 4.705 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.159 2.826 6.952 1.00 0.00 C ATOM 214 CE2 TYR A 24 -5.136 1.125 5.559 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.890 1.479 6.684 1.00 0.00 C ATOM 216 OH TYR A 24 -6.373 0.499 7.526 1.00 0.00 O ATOM 0 H TYR A 24 -3.043 6.219 2.827 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.444 5.714 5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.151 5.289 3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.115 4.110 3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.870 4.861 6.307 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.060 1.848 3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.746 3.098 7.817 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.933 0.085 5.350 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.960 -0.104 7.023 1.00 0.00 H new ATOM 226 N LEU A 25 -1.454 3.600 4.052 1.00 0.00 N ATOM 227 CA LEU A 25 -0.433 2.533 4.294 1.00 0.00 C ATOM 228 C LEU A 25 0.724 3.092 5.128 1.00 0.00 C ATOM 229 O LEU A 25 1.257 2.432 5.998 1.00 0.00 O ATOM 230 CB LEU A 25 0.108 2.035 2.956 1.00 0.00 C ATOM 231 CG LEU A 25 -0.995 1.285 2.194 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.532 1.016 0.758 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.320 -0.050 2.893 1.00 0.00 C ATOM 0 H LEU A 25 -1.572 3.867 3.075 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.901 1.710 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.465 2.876 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.961 1.376 3.121 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.895 1.900 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.314 0.484 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.325 1.963 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.374 0.410 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.103 -0.569 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.425 -0.672 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.662 0.145 3.910 1.00 0.00 H new ATOM 245 N LYS A 26 1.117 4.302 4.855 1.00 0.00 N ATOM 246 CA LYS A 26 2.250 4.916 5.607 1.00 0.00 C ATOM 247 C LYS A 26 1.904 4.990 7.098 1.00 0.00 C ATOM 248 O LYS A 26 2.723 4.720 7.956 1.00 0.00 O ATOM 249 CB LYS A 26 2.492 6.329 5.076 1.00 0.00 C ATOM 250 CG LYS A 26 3.727 6.930 5.749 1.00 0.00 C ATOM 251 CD LYS A 26 4.044 8.287 5.116 1.00 0.00 C ATOM 252 CE LYS A 26 5.297 8.877 5.769 1.00 0.00 C ATOM 253 NZ LYS A 26 5.004 9.228 7.186 1.00 0.00 N ATOM 0 H LYS A 26 0.701 4.898 4.139 1.00 0.00 H new ATOM 0 HA LYS A 26 3.145 4.308 5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.632 6.302 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.620 6.954 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.550 7.048 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.578 6.258 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.200 8.172 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.201 8.966 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.116 8.159 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.620 9.764 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.735 9.877 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.074 9.689 7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.999 8.363 7.764 1.00 0.00 H new ATOM 267 N HIS A 27 0.691 5.361 7.401 1.00 0.00 N ATOM 268 CA HIS A 27 0.258 5.469 8.828 1.00 0.00 C ATOM 269 C HIS A 27 0.237 4.078 9.477 1.00 0.00 C ATOM 270 O HIS A 27 0.597 3.907 10.626 1.00 0.00 O ATOM 271 CB HIS A 27 -1.147 6.064 8.879 1.00 0.00 C ATOM 272 CG HIS A 27 -1.098 7.518 8.494 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.168 8.392 9.034 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.868 8.270 7.640 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.400 9.608 8.507 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.425 9.589 7.651 1.00 0.00 N ATOM 0 H HIS A 27 -0.027 5.597 6.716 1.00 0.00 H new ATOM 0 HA HIS A 27 0.957 6.107 9.368 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.807 5.521 8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.561 5.957 9.882 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.560 8.156 9.708 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.691 7.895 7.050 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.173 10.492 8.747 1.00 0.00 H new ATOM 284 N ASN A 28 -0.196 3.088 8.744 1.00 0.00 N ATOM 285 CA ASN A 28 -0.261 1.702 9.303 1.00 0.00 C ATOM 286 C ASN A 28 1.078 1.000 9.079 1.00 0.00 C ATOM 287 O ASN A 28 1.288 -0.124 9.497 1.00 0.00 O ATOM 288 CB ASN A 28 -1.369 0.921 8.591 1.00 0.00 C ATOM 289 CG ASN A 28 -2.734 1.493 8.986 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.157 1.362 10.115 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.445 2.128 8.091 1.00 0.00 N ATOM 0 H ASN A 28 -0.509 3.178 7.777 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.473 1.748 10.371 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.236 0.983 7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.314 -0.134 8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.355 2.513 8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.089 2.238 7.141 1.00 0.00 H new ATOM 298 N ILE A 29 1.987 1.666 8.417 1.00 0.00 N ATOM 299 CA ILE A 29 3.326 1.066 8.151 1.00 0.00 C ATOM 300 C ILE A 29 4.400 2.158 8.261 1.00 0.00 C ATOM 301 O ILE A 29 4.823 2.721 7.268 1.00 0.00 O ATOM 302 CB ILE A 29 3.352 0.470 6.742 1.00 0.00 C ATOM 303 CG1 ILE A 29 2.152 -0.464 6.561 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.646 -0.327 6.548 1.00 0.00 C ATOM 305 CD1 ILE A 29 2.227 -1.146 5.189 1.00 0.00 C ATOM 0 H ILE A 29 1.857 2.607 8.047 1.00 0.00 H new ATOM 0 HA ILE A 29 3.523 0.280 8.880 1.00 0.00 H new ATOM 0 HB ILE A 29 3.304 1.274 6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.142 -1.215 7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.224 0.101 6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.665 -0.752 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.503 0.334 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.692 -1.131 7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.371 -1.809 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.216 -0.389 4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.148 -1.725 5.120 1.00 0.00 H new ATOM 317 N PRO A 30 4.842 2.449 9.458 1.00 0.00 N ATOM 318 CA PRO A 30 5.895 3.480 9.698 1.00 0.00 C ATOM 319 C PRO A 30 7.154 3.191 8.866 1.00 0.00 C ATOM 320 O PRO A 30 7.864 4.086 8.447 1.00 0.00 O ATOM 321 CB PRO A 30 6.202 3.348 11.199 1.00 0.00 C ATOM 322 CG PRO A 30 4.975 2.737 11.796 1.00 0.00 C ATOM 323 CD PRO A 30 4.382 1.836 10.713 1.00 0.00 C ATOM 0 HA PRO A 30 5.569 4.481 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.077 2.721 11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.415 4.320 11.645 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.220 2.163 12.690 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.263 3.506 12.097 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.734 0.809 10.810 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.294 1.806 10.769 1.00 0.00 H new ATOM 331 N ASP A 31 7.422 1.937 8.639 1.00 0.00 N ATOM 332 CA ASP A 31 8.622 1.543 7.848 1.00 0.00 C ATOM 333 C ASP A 31 8.292 1.609 6.354 1.00 0.00 C ATOM 334 O ASP A 31 8.988 1.060 5.524 1.00 0.00 O ATOM 335 CB ASP A 31 9.020 0.114 8.227 1.00 0.00 C ATOM 336 CG ASP A 31 9.455 0.079 9.694 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.746 1.137 10.231 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.496 -1.003 10.257 1.00 0.00 O ATOM 0 H ASP A 31 6.854 1.158 8.972 1.00 0.00 H new ATOM 0 HA ASP A 31 9.447 2.222 8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.180 -0.563 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.832 -0.231 7.587 1.00 0.00 H new ATOM 343 N PHE A 32 7.219 2.273 6.014 1.00 0.00 N ATOM 344 CA PHE A 32 6.824 2.380 4.581 1.00 0.00 C ATOM 345 C PHE A 32 7.949 3.035 3.779 1.00 0.00 C ATOM 346 O PHE A 32 8.456 4.080 4.134 1.00 0.00 O ATOM 347 CB PHE A 32 5.553 3.229 4.465 1.00 0.00 C ATOM 348 CG PHE A 32 5.244 3.498 3.010 1.00 0.00 C ATOM 349 CD1 PHE A 32 4.825 2.450 2.183 1.00 0.00 C ATOM 350 CD2 PHE A 32 5.395 4.788 2.485 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.543 2.694 0.834 1.00 0.00 C ATOM 352 CE2 PHE A 32 5.112 5.032 1.137 1.00 0.00 C ATOM 353 CZ PHE A 32 4.695 3.983 0.310 1.00 0.00 C ATOM 0 H PHE A 32 6.598 2.747 6.670 1.00 0.00 H new ATOM 0 HA PHE A 32 6.636 1.382 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.716 2.712 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.685 4.171 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.719 1.453 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.730 5.594 3.121 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.208 1.888 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.215 6.029 0.735 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.490 4.168 -0.734 1.00 0.00 H new ATOM 363 N ASN A 33 8.335 2.412 2.697 1.00 0.00 N ATOM 364 CA ASN A 33 9.423 2.969 1.838 1.00 0.00 C ATOM 365 C ASN A 33 8.827 3.483 0.526 1.00 0.00 C ATOM 366 O ASN A 33 8.967 4.640 0.181 1.00 0.00 O ATOM 367 CB ASN A 33 10.432 1.862 1.524 1.00 0.00 C ATOM 368 CG ASN A 33 11.161 1.455 2.805 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.898 2.236 3.371 1.00 0.00 O ATOM 370 ND2 ASN A 33 10.985 0.255 3.287 1.00 0.00 N ATOM 0 H ASN A 33 7.939 1.532 2.368 1.00 0.00 H new ATOM 0 HA ASN A 33 9.916 3.787 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.920 1.000 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.149 2.210 0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.467 -0.028 4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.365 -0.400 2.810 1.00 0.00 H new ATOM 377 N THR A 34 8.170 2.628 -0.216 1.00 0.00 N ATOM 378 CA THR A 34 7.578 3.073 -1.515 1.00 0.00 C ATOM 379 C THR A 34 6.381 2.199 -1.883 1.00 0.00 C ATOM 380 O THR A 34 6.187 1.133 -1.335 1.00 0.00 O ATOM 381 CB THR A 34 8.632 2.982 -2.621 1.00 0.00 C ATOM 382 OG1 THR A 34 8.025 3.277 -3.869 1.00 0.00 O ATOM 383 CG2 THR A 34 9.229 1.573 -2.665 1.00 0.00 C ATOM 0 H THR A 34 8.018 1.647 0.019 1.00 0.00 H new ATOM 0 HA THR A 34 7.244 4.105 -1.410 1.00 0.00 H new ATOM 0 HB THR A 34 9.428 3.698 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.697 3.222 -4.581 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.978 1.520 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.696 1.346 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.439 0.849 -2.864 1.00 0.00 H new ATOM 391 N VAL A 35 5.584 2.659 -2.811 1.00 0.00 N ATOM 392 CA VAL A 35 4.379 1.886 -3.246 1.00 0.00 C ATOM 393 C VAL A 35 4.379 1.766 -4.772 1.00 0.00 C ATOM 394 O VAL A 35 4.645 2.718 -5.481 1.00 0.00 O ATOM 395 CB VAL A 35 3.114 2.622 -2.791 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.153 4.085 -3.252 1.00 0.00 C ATOM 397 CG2 VAL A 35 1.880 1.936 -3.382 1.00 0.00 C ATOM 0 H VAL A 35 5.717 3.548 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 35 4.401 0.891 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 35 3.065 2.594 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.248 4.595 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.025 4.579 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.214 4.122 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.981 2.461 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.939 1.956 -4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.840 0.902 -3.040 1.00 0.00 H new ATOM 407 N THR A 36 4.089 0.594 -5.271 1.00 0.00 N ATOM 408 CA THR A 36 4.066 0.376 -6.750 1.00 0.00 C ATOM 409 C THR A 36 2.750 -0.284 -7.161 1.00 0.00 C ATOM 410 O THR A 36 2.372 -1.326 -6.657 1.00 0.00 O ATOM 411 CB THR A 36 5.232 -0.531 -7.146 1.00 0.00 C ATOM 412 OG1 THR A 36 6.453 0.108 -6.803 1.00 0.00 O ATOM 413 CG2 THR A 36 5.195 -0.789 -8.653 1.00 0.00 C ATOM 0 H THR A 36 3.865 -0.230 -4.713 1.00 0.00 H new ATOM 0 HA THR A 36 4.157 1.338 -7.255 1.00 0.00 H new ATOM 0 HB THR A 36 5.152 -1.482 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.205 -0.468 -7.052 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.027 -1.436 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.255 -1.274 -8.916 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.277 0.158 -9.186 1.00 0.00 H new ATOM 421 N PHE A 37 2.057 0.325 -8.083 1.00 0.00 N ATOM 422 CA PHE A 37 0.762 -0.237 -8.568 1.00 0.00 C ATOM 423 C PHE A 37 0.996 -0.979 -9.877 1.00 0.00 C ATOM 424 O PHE A 37 1.857 -0.625 -10.662 1.00 0.00 O ATOM 425 CB PHE A 37 -0.232 0.899 -8.800 1.00 0.00 C ATOM 426 CG PHE A 37 -0.447 1.643 -7.506 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.306 1.117 -6.535 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.219 2.851 -7.270 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.508 1.803 -5.331 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.018 3.537 -6.065 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.843 3.010 -5.093 1.00 0.00 C ATOM 0 H PHE A 37 2.336 1.200 -8.528 1.00 0.00 H new ATOM 0 HA PHE A 37 0.360 -0.924 -7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.145 1.578 -9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.178 0.501 -9.166 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.814 0.181 -6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.888 3.254 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.178 1.400 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.527 4.472 -5.885 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.993 3.535 -4.161 1.00 0.00 H new ATOM 441 N THR A 38 0.244 -2.018 -10.109 1.00 0.00 N ATOM 442 CA THR A 38 0.418 -2.806 -11.364 1.00 0.00 C ATOM 443 C THR A 38 -0.952 -3.260 -11.880 1.00 0.00 C ATOM 444 O THR A 38 -1.481 -2.723 -12.832 1.00 0.00 O ATOM 445 CB THR A 38 1.273 -4.039 -11.062 1.00 0.00 C ATOM 446 OG1 THR A 38 0.742 -4.711 -9.925 1.00 0.00 O ATOM 447 CG2 THR A 38 2.712 -3.607 -10.776 1.00 0.00 C ATOM 0 H THR A 38 -0.486 -2.358 -9.483 1.00 0.00 H new ATOM 0 HA THR A 38 0.904 -2.189 -12.119 1.00 0.00 H new ATOM 0 HB THR A 38 1.263 -4.710 -11.921 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.545 -5.642 -10.158 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.320 -4.486 -10.561 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.116 -3.090 -11.646 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.727 -2.937 -9.917 1.00 0.00 H new ATOM 455 N ASN A 39 -1.515 -4.257 -11.256 1.00 0.00 N ATOM 456 CA ASN A 39 -2.839 -4.778 -11.704 1.00 0.00 C ATOM 457 C ASN A 39 -3.969 -3.863 -11.221 1.00 0.00 C ATOM 458 O ASN A 39 -4.071 -3.536 -10.054 1.00 0.00 O ATOM 459 CB ASN A 39 -3.038 -6.190 -11.138 1.00 0.00 C ATOM 460 CG ASN A 39 -4.082 -6.947 -11.965 1.00 0.00 C ATOM 461 OD1 ASN A 39 -4.185 -6.752 -13.158 1.00 0.00 O ATOM 462 ND2 ASN A 39 -4.864 -7.809 -11.372 1.00 0.00 N ATOM 0 H ASN A 39 -1.113 -4.737 -10.450 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.862 -4.807 -12.793 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.092 -6.731 -11.149 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.359 -6.131 -10.098 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.563 -8.319 -11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.776 -7.972 -10.369 1.00 0.00 H new ATOM 469 N GLU A 40 -4.820 -3.458 -12.123 1.00 0.00 N ATOM 470 CA GLU A 40 -5.963 -2.574 -11.749 1.00 0.00 C ATOM 471 C GLU A 40 -7.208 -3.020 -12.520 1.00 0.00 C ATOM 472 O GLU A 40 -7.677 -2.349 -13.417 1.00 0.00 O ATOM 473 CB GLU A 40 -5.625 -1.122 -12.099 1.00 0.00 C ATOM 474 CG GLU A 40 -4.500 -0.635 -11.183 1.00 0.00 C ATOM 475 CD GLU A 40 -4.106 0.792 -11.555 1.00 0.00 C ATOM 476 OE1 GLU A 40 -4.733 1.348 -12.442 1.00 0.00 O ATOM 477 OE2 GLU A 40 -3.187 1.313 -10.942 1.00 0.00 O ATOM 0 H GLU A 40 -4.773 -3.703 -13.112 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.152 -2.644 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.319 -1.048 -13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.506 -0.492 -11.980 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.825 -0.672 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.637 -1.294 -11.271 1.00 0.00 H new ATOM 484 N GLU A 41 -7.727 -4.168 -12.176 1.00 0.00 N ATOM 485 CA GLU A 41 -8.936 -4.695 -12.874 1.00 0.00 C ATOM 486 C GLU A 41 -10.199 -4.046 -12.306 1.00 0.00 C ATOM 487 O GLU A 41 -10.198 -3.467 -11.237 1.00 0.00 O ATOM 488 CB GLU A 41 -9.010 -6.217 -12.695 1.00 0.00 C ATOM 489 CG GLU A 41 -9.069 -6.569 -11.201 1.00 0.00 C ATOM 490 CD GLU A 41 -9.154 -8.090 -11.036 1.00 0.00 C ATOM 491 OE1 GLU A 41 -9.820 -8.717 -11.844 1.00 0.00 O ATOM 492 OE2 GLU A 41 -8.559 -8.599 -10.101 1.00 0.00 O ATOM 0 H GLU A 41 -7.363 -4.768 -11.436 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.865 -4.457 -13.935 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.891 -6.609 -13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.141 -6.688 -13.154 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.185 -6.186 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.934 -6.094 -10.739 1.00 0.00 H new ATOM 499 N PHE A 42 -11.280 -4.141 -13.036 1.00 0.00 N ATOM 500 CA PHE A 42 -12.568 -3.535 -12.585 1.00 0.00 C ATOM 501 C PHE A 42 -13.463 -4.603 -11.965 1.00 0.00 C ATOM 502 O PHE A 42 -13.836 -5.573 -12.598 1.00 0.00 O ATOM 503 CB PHE A 42 -13.271 -2.916 -13.793 1.00 0.00 C ATOM 504 CG PHE A 42 -12.381 -1.849 -14.381 1.00 0.00 C ATOM 505 CD1 PHE A 42 -11.325 -2.205 -15.230 1.00 0.00 C ATOM 506 CD2 PHE A 42 -12.611 -0.503 -14.078 1.00 0.00 C ATOM 507 CE1 PHE A 42 -10.495 -1.213 -15.767 1.00 0.00 C ATOM 508 CE2 PHE A 42 -11.784 0.489 -14.617 1.00 0.00 C ATOM 509 CZ PHE A 42 -10.727 0.135 -15.463 1.00 0.00 C ATOM 0 H PHE A 42 -11.325 -4.618 -13.936 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.367 -2.769 -11.836 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.485 -3.682 -14.538 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.227 -2.487 -13.494 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.151 -3.244 -15.470 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.428 -0.229 -13.427 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.676 -1.487 -16.416 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.962 1.528 -14.380 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.090 0.900 -15.881 1.00 0.00 H new ATOM 519 N ASN A 43 -13.805 -4.419 -10.721 1.00 0.00 N ATOM 520 CA ASN A 43 -14.675 -5.407 -10.031 1.00 0.00 C ATOM 521 C ASN A 43 -16.138 -4.943 -10.116 1.00 0.00 C ATOM 522 O ASN A 43 -16.411 -3.758 -10.191 1.00 0.00 O ATOM 523 CB ASN A 43 -14.260 -5.512 -8.558 1.00 0.00 C ATOM 524 CG ASN A 43 -14.094 -4.117 -7.954 1.00 0.00 C ATOM 525 OD1 ASN A 43 -14.806 -3.745 -7.046 1.00 0.00 O ATOM 526 ND2 ASN A 43 -13.172 -3.325 -8.425 1.00 0.00 N ATOM 0 H ASN A 43 -13.518 -3.623 -10.151 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.571 -6.381 -10.509 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.012 -6.070 -8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.325 -6.066 -8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.050 -2.393 -8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.573 -3.638 -9.189 1.00 0.00 H new ATOM 533 N PRO A 44 -17.071 -5.862 -10.088 1.00 0.00 N ATOM 534 CA PRO A 44 -18.528 -5.535 -10.156 1.00 0.00 C ATOM 535 C PRO A 44 -18.912 -4.402 -9.189 1.00 0.00 C ATOM 536 O PRO A 44 -19.725 -3.551 -9.499 1.00 0.00 O ATOM 537 CB PRO A 44 -19.200 -6.844 -9.717 1.00 0.00 C ATOM 538 CG PRO A 44 -18.248 -7.924 -10.108 1.00 0.00 C ATOM 539 CD PRO A 44 -16.849 -7.318 -10.021 1.00 0.00 C ATOM 0 HA PRO A 44 -18.825 -5.190 -11.146 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -19.384 -6.851 -8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -20.165 -6.974 -10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -18.341 -8.783 -9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -18.456 -8.278 -11.118 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -16.351 -7.601 -9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.217 -7.661 -10.840 1.00 0.00 H new ATOM 547 N ILE A 45 -18.335 -4.401 -8.021 1.00 0.00 N ATOM 548 CA ILE A 45 -18.658 -3.336 -7.027 1.00 0.00 C ATOM 549 C ILE A 45 -18.087 -1.993 -7.495 1.00 0.00 C ATOM 550 O ILE A 45 -18.719 -0.963 -7.374 1.00 0.00 O ATOM 551 CB ILE A 45 -18.057 -3.708 -5.669 1.00 0.00 C ATOM 552 CG1 ILE A 45 -18.567 -5.090 -5.245 1.00 0.00 C ATOM 553 CG2 ILE A 45 -18.474 -2.669 -4.627 1.00 0.00 C ATOM 554 CD1 ILE A 45 -17.801 -5.568 -4.007 1.00 0.00 C ATOM 0 H ILE A 45 -17.652 -5.092 -7.709 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.740 -3.247 -6.934 1.00 0.00 H new ATOM 0 HB ILE A 45 -16.970 -3.731 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -19.634 -5.043 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -18.438 -5.801 -6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -18.047 -2.932 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -18.112 -1.686 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -19.561 -2.647 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -18.167 -6.551 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -16.738 -5.632 -4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -17.952 -4.862 -3.190 1.00 0.00 H new ATOM 566 N GLY A 46 -16.893 -1.998 -8.024 1.00 0.00 N ATOM 567 CA GLY A 46 -16.285 -0.715 -8.491 1.00 0.00 C ATOM 568 C GLY A 46 -14.896 -0.967 -9.085 1.00 0.00 C ATOM 569 O GLY A 46 -14.693 -1.882 -9.858 1.00 0.00 O ATOM 0 H GLY A 46 -16.314 -2.828 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.928 -0.251 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.210 -0.016 -7.658 1.00 0.00 H new ATOM 573 N ILE A 47 -13.944 -0.145 -8.726 1.00 0.00 N ATOM 574 CA ILE A 47 -12.555 -0.301 -9.262 1.00 0.00 C ATOM 575 C ILE A 47 -11.657 -0.920 -8.197 1.00 0.00 C ATOM 576 O ILE A 47 -11.740 -0.595 -7.029 1.00 0.00 O ATOM 577 CB ILE A 47 -12.003 1.075 -9.657 1.00 0.00 C ATOM 578 CG1 ILE A 47 -12.240 2.085 -8.526 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.716 1.553 -10.923 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.473 3.378 -8.823 1.00 0.00 C ATOM 0 H ILE A 47 -14.069 0.634 -8.080 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.578 -0.952 -10.136 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.931 0.994 -9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.305 2.296 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.911 1.665 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.330 2.531 -11.211 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.541 0.841 -11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.786 1.628 -10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.642 4.094 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.408 3.160 -8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.823 3.800 -9.765 1.00 0.00 H new ATOM 592 N SER A 48 -10.806 -1.821 -8.606 1.00 0.00 N ATOM 593 CA SER A 48 -9.886 -2.499 -7.642 1.00 0.00 C ATOM 594 C SER A 48 -8.439 -2.155 -7.987 1.00 0.00 C ATOM 595 O SER A 48 -7.985 -2.352 -9.098 1.00 0.00 O ATOM 596 CB SER A 48 -10.085 -4.012 -7.736 1.00 0.00 C ATOM 597 OG SER A 48 -11.352 -4.344 -7.189 1.00 0.00 O ATOM 0 H SER A 48 -10.706 -2.121 -9.576 1.00 0.00 H new ATOM 0 HA SER A 48 -10.106 -2.161 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.026 -4.336 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.293 -4.531 -7.195 1.00 0.00 H new ATOM 0 HG SER A 48 -11.489 -5.313 -7.246 1.00 0.00 H new ATOM 603 N ILE A 49 -7.721 -1.638 -7.029 1.00 0.00 N ATOM 604 CA ILE A 49 -6.293 -1.268 -7.254 1.00 0.00 C ATOM 605 C ILE A 49 -5.402 -2.197 -6.437 1.00 0.00 C ATOM 606 O ILE A 49 -5.572 -2.346 -5.242 1.00 0.00 O ATOM 607 CB ILE A 49 -6.069 0.181 -6.816 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.877 1.107 -7.728 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.580 0.520 -6.920 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.860 2.532 -7.171 1.00 0.00 C ATOM 0 H ILE A 49 -8.066 -1.453 -6.087 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.047 -1.365 -8.311 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.393 0.312 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.459 1.096 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.904 0.750 -7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.419 1.552 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.009 -0.147 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.250 0.397 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.437 3.185 -7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.299 2.538 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.832 2.889 -7.117 1.00 0.00 H new ATOM 622 N ASP A 50 -4.469 -2.838 -7.090 1.00 0.00 N ATOM 623 CA ASP A 50 -3.553 -3.794 -6.391 1.00 0.00 C ATOM 624 C ASP A 50 -2.095 -3.391 -6.632 1.00 0.00 C ATOM 625 O ASP A 50 -1.754 -2.765 -7.626 1.00 0.00 O ATOM 626 CB ASP A 50 -3.790 -5.200 -6.947 1.00 0.00 C ATOM 627 CG ASP A 50 -3.009 -6.222 -6.120 1.00 0.00 C ATOM 628 OD1 ASP A 50 -3.241 -6.287 -4.924 1.00 0.00 O ATOM 629 OD2 ASP A 50 -2.199 -6.926 -6.697 1.00 0.00 O ATOM 0 H ASP A 50 -4.299 -2.740 -8.091 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.754 -3.775 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.854 -5.436 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.476 -5.246 -7.990 1.00 0.00 H new ATOM 634 N GLY A 51 -1.239 -3.752 -5.720 1.00 0.00 N ATOM 635 CA GLY A 51 0.201 -3.405 -5.864 1.00 0.00 C ATOM 636 C GLY A 51 0.976 -3.912 -4.646 1.00 0.00 C ATOM 637 O GLY A 51 0.478 -4.693 -3.857 1.00 0.00 O ATOM 0 H GLY A 51 -1.475 -4.275 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.603 -3.850 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.318 -2.325 -5.958 1.00 0.00 H new ATOM 641 N TYR A 52 2.195 -3.471 -4.501 1.00 0.00 N ATOM 642 CA TYR A 52 3.036 -3.914 -3.347 1.00 0.00 C ATOM 643 C TYR A 52 3.882 -2.754 -2.837 1.00 0.00 C ATOM 644 O TYR A 52 4.055 -1.750 -3.503 1.00 0.00 O ATOM 645 CB TYR A 52 3.958 -5.054 -3.786 1.00 0.00 C ATOM 646 CG TYR A 52 4.624 -4.711 -5.101 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.838 -4.016 -5.121 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.016 -5.089 -6.306 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.453 -3.715 -6.344 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.629 -4.786 -7.526 1.00 0.00 C ATOM 651 CZ TYR A 52 5.845 -4.093 -7.545 1.00 0.00 C ATOM 652 OH TYR A 52 6.451 -3.795 -8.749 1.00 0.00 O ATOM 0 H TYR A 52 2.651 -2.817 -5.137 1.00 0.00 H new ATOM 0 HA TYR A 52 2.379 -4.259 -2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.715 -5.234 -3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.385 -5.975 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.301 -3.711 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.073 -5.615 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.397 -3.191 -6.359 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.164 -5.087 -8.453 1.00 0.00 H new ATOM 0 HH TYR A 52 7.424 -3.777 -8.630 1.00 0.00 H new ATOM 662 N ILE A 53 4.405 -2.905 -1.649 1.00 0.00 N ATOM 663 CA ILE A 53 5.253 -1.835 -1.038 1.00 0.00 C ATOM 664 C ILE A 53 6.650 -2.384 -0.731 1.00 0.00 C ATOM 665 O ILE A 53 6.866 -3.580 -0.663 1.00 0.00 O ATOM 666 CB ILE A 53 4.604 -1.344 0.261 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.409 -2.523 1.230 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.250 -0.708 -0.050 1.00 0.00 C ATOM 669 CD1 ILE A 53 3.918 -1.999 2.582 1.00 0.00 C ATOM 0 H ILE A 53 4.280 -3.734 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 53 5.339 -1.007 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 53 5.255 -0.604 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.688 -3.230 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.348 -3.062 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.791 -0.360 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.391 0.136 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.601 -1.446 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.780 -2.835 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.654 -1.309 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.969 -1.479 2.448 1.00 0.00 H new ATOM 681 N ASN A 54 7.588 -1.500 -0.552 1.00 0.00 N ATOM 682 CA ASN A 54 8.991 -1.915 -0.251 1.00 0.00 C ATOM 683 C ASN A 54 9.526 -2.797 -1.382 1.00 0.00 C ATOM 684 O ASN A 54 10.330 -3.686 -1.172 1.00 0.00 O ATOM 685 CB ASN A 54 9.028 -2.682 1.074 1.00 0.00 C ATOM 686 CG ASN A 54 8.266 -1.895 2.148 1.00 0.00 C ATOM 687 OD1 ASN A 54 7.261 -1.275 1.869 1.00 0.00 O ATOM 688 ND2 ASN A 54 8.717 -1.888 3.373 1.00 0.00 N ATOM 0 H ASN A 54 7.443 -0.492 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 54 9.619 -1.028 -0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.582 -3.668 0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.061 -2.837 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.225 -1.362 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.562 -2.409 3.608 1.00 0.00 H new ATOM 695 N ASN A 55 9.081 -2.544 -2.586 1.00 0.00 N ATOM 696 CA ASN A 55 9.550 -3.347 -3.756 1.00 0.00 C ATOM 697 C ASN A 55 9.519 -4.833 -3.403 1.00 0.00 C ATOM 698 O ASN A 55 10.327 -5.613 -3.871 1.00 0.00 O ATOM 699 CB ASN A 55 10.971 -2.925 -4.147 1.00 0.00 C ATOM 700 CG ASN A 55 11.008 -1.407 -4.361 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.348 -0.889 -5.240 1.00 0.00 O ATOM 702 ND2 ASN A 55 11.753 -0.670 -3.585 1.00 0.00 N ATOM 0 H ASN A 55 8.408 -1.811 -2.811 1.00 0.00 H new ATOM 0 HA ASN A 55 8.888 -3.168 -4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.676 -3.211 -3.366 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.278 -3.440 -5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.782 0.341 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.307 -1.105 -2.847 1.00 0.00 H new ATOM 709 N ASP A 56 8.587 -5.222 -2.572 1.00 0.00 N ATOM 710 CA ASP A 56 8.470 -6.657 -2.164 1.00 0.00 C ATOM 711 C ASP A 56 7.139 -7.226 -2.667 1.00 0.00 C ATOM 712 O ASP A 56 6.081 -6.878 -2.187 1.00 0.00 O ATOM 713 CB ASP A 56 8.524 -6.754 -0.637 1.00 0.00 C ATOM 714 CG ASP A 56 9.948 -6.461 -0.156 1.00 0.00 C ATOM 715 OD1 ASP A 56 10.848 -6.474 -0.980 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.116 -6.234 1.032 1.00 0.00 O ATOM 0 H ASP A 56 7.894 -4.601 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 56 9.292 -7.228 -2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.826 -6.045 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.217 -7.749 -0.314 1.00 0.00 H new ATOM 721 N LYS A 57 7.204 -8.092 -3.636 1.00 0.00 N ATOM 722 CA LYS A 57 5.965 -8.706 -4.205 1.00 0.00 C ATOM 723 C LYS A 57 5.180 -9.419 -3.103 1.00 0.00 C ATOM 724 O LYS A 57 3.967 -9.462 -3.117 1.00 0.00 O ATOM 725 CB LYS A 57 6.364 -9.718 -5.281 1.00 0.00 C ATOM 726 CG LYS A 57 7.196 -9.029 -6.370 1.00 0.00 C ATOM 727 CD LYS A 57 6.353 -7.962 -7.078 1.00 0.00 C ATOM 728 CE LYS A 57 7.003 -7.590 -8.410 1.00 0.00 C ATOM 729 NZ LYS A 57 6.161 -6.570 -9.099 1.00 0.00 N ATOM 0 H LYS A 57 8.073 -8.408 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 57 5.338 -7.926 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.938 -10.530 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.472 -10.163 -5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.081 -8.571 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.546 -9.766 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.343 -8.336 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.264 -7.078 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.006 -7.198 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.108 -8.476 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.058 -6.825 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.222 -6.536 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.614 -5.637 -9.023 1.00 0.00 H new ATOM 743 N ASN A 58 5.866 -9.976 -2.146 1.00 0.00 N ATOM 744 CA ASN A 58 5.164 -10.682 -1.035 1.00 0.00 C ATOM 745 C ASN A 58 4.258 -9.686 -0.305 1.00 0.00 C ATOM 746 O ASN A 58 3.156 -10.005 0.098 1.00 0.00 O ATOM 747 CB ASN A 58 6.197 -11.232 -0.047 1.00 0.00 C ATOM 748 CG ASN A 58 6.848 -12.488 -0.630 1.00 0.00 C ATOM 749 OD1 ASN A 58 8.041 -12.682 -0.505 1.00 0.00 O ATOM 750 ND2 ASN A 58 6.108 -13.359 -1.257 1.00 0.00 N ATOM 0 H ASN A 58 6.884 -9.974 -2.083 1.00 0.00 H new ATOM 0 HA ASN A 58 4.570 -11.502 -1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.957 -10.478 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.717 -11.467 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.530 -14.204 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.107 -13.196 -1.362 1.00 0.00 H new ATOM 757 N LEU A 59 4.725 -8.480 -0.128 1.00 0.00 N ATOM 758 CA LEU A 59 3.907 -7.456 0.583 1.00 0.00 C ATOM 759 C LEU A 59 2.914 -6.829 -0.398 1.00 0.00 C ATOM 760 O LEU A 59 3.020 -5.668 -0.761 1.00 0.00 O ATOM 761 CB LEU A 59 4.826 -6.372 1.156 1.00 0.00 C ATOM 762 CG LEU A 59 5.901 -7.020 2.042 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.820 -5.934 2.613 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.234 -7.788 3.193 1.00 0.00 C ATOM 0 H LEU A 59 5.640 -8.159 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 59 3.359 -7.928 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.296 -5.815 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.243 -5.658 1.738 1.00 0.00 H new ATOM 0 HG LEU A 59 6.489 -7.714 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.582 -6.395 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.300 -5.397 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.232 -5.236 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.001 -8.245 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.640 -7.099 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.587 -8.565 2.785 1.00 0.00 H new ATOM 776 N SER A 60 1.951 -7.604 -0.825 1.00 0.00 N ATOM 777 CA SER A 60 0.925 -7.091 -1.783 1.00 0.00 C ATOM 778 C SER A 60 -0.277 -6.541 -1.012 1.00 0.00 C ATOM 779 O SER A 60 -0.487 -6.849 0.153 1.00 0.00 O ATOM 780 CB SER A 60 0.460 -8.227 -2.695 1.00 0.00 C ATOM 781 OG SER A 60 -0.274 -9.177 -1.928 1.00 0.00 O ATOM 0 H SER A 60 1.830 -8.578 -0.549 1.00 0.00 H new ATOM 0 HA SER A 60 1.366 -6.295 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.162 -7.832 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.319 -8.707 -3.164 1.00 0.00 H new ATOM 0 HG SER A 60 -0.575 -9.905 -2.510 1.00 0.00 H new ATOM 787 N PHE A 61 -1.069 -5.735 -1.664 1.00 0.00 N ATOM 788 CA PHE A 61 -2.266 -5.152 -0.994 1.00 0.00 C ATOM 789 C PHE A 61 -3.319 -4.788 -2.043 1.00 0.00 C ATOM 790 O PHE A 61 -3.028 -4.643 -3.216 1.00 0.00 O ATOM 791 CB PHE A 61 -1.866 -3.891 -0.227 1.00 0.00 C ATOM 792 CG PHE A 61 -1.445 -2.800 -1.191 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.400 -1.918 -1.711 1.00 0.00 C ATOM 794 CD2 PHE A 61 -0.098 -2.666 -1.556 1.00 0.00 C ATOM 795 CE1 PHE A 61 -2.011 -0.903 -2.593 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.290 -1.649 -2.437 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.667 -0.769 -2.956 1.00 0.00 C ATOM 0 H PHE A 61 -0.938 -5.454 -2.636 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.678 -5.886 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.703 -3.546 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.048 -4.117 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.438 -2.021 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.640 -3.347 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.749 -0.223 -2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.328 -1.544 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.367 0.014 -3.637 1.00 0.00 H new ATOM 807 N THR A 62 -4.542 -4.633 -1.618 1.00 0.00 N ATOM 808 CA THR A 62 -5.634 -4.269 -2.569 1.00 0.00 C ATOM 809 C THR A 62 -6.580 -3.264 -1.908 1.00 0.00 C ATOM 810 O THR A 62 -6.833 -3.319 -0.721 1.00 0.00 O ATOM 811 CB THR A 62 -6.414 -5.523 -2.963 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.536 -6.429 -3.613 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.550 -5.137 -3.913 1.00 0.00 C ATOM 0 H THR A 62 -4.835 -4.743 -0.647 1.00 0.00 H new ATOM 0 HA THR A 62 -5.197 -3.821 -3.461 1.00 0.00 H new ATOM 0 HB THR A 62 -6.833 -5.994 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.757 -5.942 -3.954 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.108 -6.030 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.218 -4.434 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.135 -4.671 -4.807 1.00 0.00 H new ATOM 821 N ALA A 63 -7.093 -2.348 -2.683 1.00 0.00 N ATOM 822 CA ALA A 63 -8.030 -1.319 -2.136 1.00 0.00 C ATOM 823 C ALA A 63 -9.065 -0.964 -3.209 1.00 0.00 C ATOM 824 O ALA A 63 -8.758 -0.872 -4.383 1.00 0.00 O ATOM 825 CB ALA A 63 -7.246 -0.066 -1.755 1.00 0.00 C ATOM 0 H ALA A 63 -6.903 -2.266 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.533 -1.713 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.930 0.684 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.503 -0.318 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.745 0.332 -2.637 1.00 0.00 H new ATOM 831 N GLY A 64 -10.293 -0.779 -2.804 1.00 0.00 N ATOM 832 CA GLY A 64 -11.379 -0.440 -3.773 1.00 0.00 C ATOM 833 C GLY A 64 -11.752 1.039 -3.660 1.00 0.00 C ATOM 834 O GLY A 64 -11.693 1.628 -2.598 1.00 0.00 O ATOM 0 H GLY A 64 -10.595 -0.849 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.051 -0.662 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.255 -1.058 -3.578 1.00 0.00 H new ATOM 838 N LYS A 65 -12.144 1.621 -4.765 1.00 0.00 N ATOM 839 CA LYS A 65 -12.549 3.063 -4.794 1.00 0.00 C ATOM 840 C LYS A 65 -11.706 3.895 -3.825 1.00 0.00 C ATOM 841 O LYS A 65 -10.498 3.940 -3.916 1.00 0.00 O ATOM 842 CB LYS A 65 -14.028 3.189 -4.414 1.00 0.00 C ATOM 843 CG LYS A 65 -14.921 2.578 -5.507 1.00 0.00 C ATOM 844 CD LYS A 65 -15.184 3.616 -6.606 1.00 0.00 C ATOM 845 CE LYS A 65 -16.096 3.015 -7.671 1.00 0.00 C ATOM 846 NZ LYS A 65 -16.403 4.051 -8.698 1.00 0.00 N ATOM 0 H LYS A 65 -12.202 1.149 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.387 3.440 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.209 2.685 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.284 4.239 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.439 1.698 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.865 2.246 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.646 4.505 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.242 3.931 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.613 2.156 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.018 2.654 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.025 3.645 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.880 4.857 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.519 4.375 -9.139 1.00 0.00 H new ATOM 860 N ASP A 66 -12.351 4.570 -2.906 1.00 0.00 N ATOM 861 CA ASP A 66 -11.613 5.424 -1.932 1.00 0.00 C ATOM 862 C ASP A 66 -11.207 4.593 -0.713 1.00 0.00 C ATOM 863 O ASP A 66 -11.902 4.537 0.285 1.00 0.00 O ATOM 864 CB ASP A 66 -12.515 6.583 -1.496 1.00 0.00 C ATOM 865 CG ASP A 66 -12.634 7.600 -2.638 1.00 0.00 C ATOM 866 OD1 ASP A 66 -11.834 7.528 -3.557 1.00 0.00 O ATOM 867 OD2 ASP A 66 -13.520 8.436 -2.572 1.00 0.00 O ATOM 0 H ASP A 66 -13.364 4.564 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.713 5.819 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.502 6.207 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.103 7.064 -0.609 1.00 0.00 H new ATOM 872 N VAL A 67 -10.074 3.953 -0.802 1.00 0.00 N ATOM 873 CA VAL A 67 -9.570 3.110 0.327 1.00 0.00 C ATOM 874 C VAL A 67 -10.706 2.237 0.865 1.00 0.00 C ATOM 875 O VAL A 67 -10.623 1.671 1.940 1.00 0.00 O ATOM 876 CB VAL A 67 -9.015 4.018 1.439 1.00 0.00 C ATOM 877 CG1 VAL A 67 -7.987 3.243 2.273 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.335 5.240 0.807 1.00 0.00 C ATOM 0 H VAL A 67 -9.465 3.977 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.770 2.461 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.834 4.343 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.596 3.888 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.465 2.372 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.169 2.917 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.941 5.884 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.518 4.910 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.062 5.794 0.213 1.00 0.00 H new ATOM 888 N LYS A 68 -11.769 2.136 0.120 1.00 0.00 N ATOM 889 CA LYS A 68 -12.924 1.318 0.561 1.00 0.00 C ATOM 890 C LYS A 68 -12.638 -0.166 0.321 1.00 0.00 C ATOM 891 O LYS A 68 -12.131 -0.564 -0.711 1.00 0.00 O ATOM 892 CB LYS A 68 -14.178 1.738 -0.223 1.00 0.00 C ATOM 893 CG LYS A 68 -15.441 1.443 0.608 1.00 0.00 C ATOM 894 CD LYS A 68 -15.750 2.639 1.510 1.00 0.00 C ATOM 895 CE LYS A 68 -17.017 2.354 2.312 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.321 3.521 3.186 1.00 0.00 N ATOM 0 H LYS A 68 -11.886 2.591 -0.785 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.090 1.478 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.129 2.801 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.222 1.201 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.285 1.244 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.291 0.548 1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.914 2.826 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.882 3.538 0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.852 2.163 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.884 1.457 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.184 3.329 3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.527 3.683 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.465 4.367 2.598 1.00 0.00 H new ATOM 910 N ILE A 69 -12.970 -0.970 1.282 1.00 0.00 N ATOM 911 CA ILE A 69 -12.748 -2.439 1.166 1.00 0.00 C ATOM 912 C ILE A 69 -11.320 -2.703 0.707 1.00 0.00 C ATOM 913 O ILE A 69 -10.998 -2.605 -0.462 1.00 0.00 O ATOM 914 CB ILE A 69 -13.739 -3.057 0.174 1.00 0.00 C ATOM 915 CG1 ILE A 69 -15.134 -2.462 0.404 1.00 0.00 C ATOM 916 CG2 ILE A 69 -13.795 -4.573 0.385 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.504 -2.553 1.890 1.00 0.00 C ATOM 0 H ILE A 69 -13.394 -0.671 2.160 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.907 -2.897 2.142 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.413 -2.841 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.153 -1.422 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.870 -2.997 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.500 -5.013 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.805 -5.000 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.120 -4.787 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.496 -2.128 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -15.504 -3.597 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.776 -1.998 2.481 1.00 0.00 H new ATOM 929 N PHE A 70 -10.461 -3.030 1.634 1.00 0.00 N ATOM 930 CA PHE A 70 -9.036 -3.299 1.279 1.00 0.00 C ATOM 931 C PHE A 70 -8.543 -4.548 2.002 1.00 0.00 C ATOM 932 O PHE A 70 -9.037 -4.916 3.051 1.00 0.00 O ATOM 933 CB PHE A 70 -8.170 -2.106 1.690 1.00 0.00 C ATOM 934 CG PHE A 70 -8.226 -1.916 3.192 1.00 0.00 C ATOM 935 CD1 PHE A 70 -7.304 -2.571 4.018 1.00 0.00 C ATOM 936 CD2 PHE A 70 -9.204 -1.086 3.757 1.00 0.00 C ATOM 937 CE1 PHE A 70 -7.350 -2.388 5.405 1.00 0.00 C ATOM 938 CE2 PHE A 70 -9.248 -0.901 5.145 1.00 0.00 C ATOM 939 CZ PHE A 70 -8.326 -1.558 5.969 1.00 0.00 C ATOM 0 H PHE A 70 -10.684 -3.123 2.625 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.964 -3.454 0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.139 -2.269 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.519 -1.203 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.556 -3.218 3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.923 -0.589 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.633 -2.887 6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.993 -0.251 5.580 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.368 -1.424 7.040 1.00 0.00 H new ATOM 949 N SER A 71 -7.567 -5.197 1.434 1.00 0.00 N ATOM 950 CA SER A 71 -7.008 -6.434 2.054 1.00 0.00 C ATOM 951 C SER A 71 -5.485 -6.390 1.973 1.00 0.00 C ATOM 952 O SER A 71 -4.911 -5.699 1.151 1.00 0.00 O ATOM 953 CB SER A 71 -7.523 -7.662 1.304 1.00 0.00 C ATOM 954 OG SER A 71 -6.748 -7.853 0.126 1.00 0.00 O ATOM 0 H SER A 71 -7.126 -4.922 0.556 1.00 0.00 H new ATOM 0 HA SER A 71 -7.320 -6.493 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.461 -8.544 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.573 -7.530 1.045 1.00 0.00 H new ATOM 0 HG SER A 71 -7.075 -8.641 -0.356 1.00 0.00 H new ATOM 960 N SER A 72 -4.833 -7.121 2.836 1.00 0.00 N ATOM 961 CA SER A 72 -3.338 -7.135 2.848 1.00 0.00 C ATOM 962 C SER A 72 -2.826 -8.572 2.946 1.00 0.00 C ATOM 963 O SER A 72 -3.486 -9.457 3.458 1.00 0.00 O ATOM 964 CB SER A 72 -2.842 -6.340 4.054 1.00 0.00 C ATOM 965 OG SER A 72 -3.023 -4.956 3.801 1.00 0.00 O ATOM 0 H SER A 72 -5.273 -7.714 3.539 1.00 0.00 H new ATOM 0 HA SER A 72 -2.967 -6.688 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.390 -6.634 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.789 -6.554 4.239 1.00 0.00 H new ATOM 0 HG SER A 72 -2.600 -4.435 4.515 1.00 0.00 H new ATOM 971 N SER A 73 -1.647 -8.794 2.438 1.00 0.00 N ATOM 972 CA SER A 73 -1.047 -10.158 2.469 1.00 0.00 C ATOM 973 C SER A 73 -0.774 -10.597 3.908 1.00 0.00 C ATOM 974 O SER A 73 -0.844 -9.819 4.838 1.00 0.00 O ATOM 975 CB SER A 73 0.271 -10.136 1.692 1.00 0.00 C ATOM 976 OG SER A 73 1.067 -9.044 2.143 1.00 0.00 O ATOM 0 H SER A 73 -1.066 -8.081 1.997 1.00 0.00 H new ATOM 0 HA SER A 73 -1.746 -10.862 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.806 -11.075 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.075 -10.041 0.624 1.00 0.00 H new ATOM 0 HG SER A 73 0.986 -8.298 1.513 1.00 0.00 H new ATOM 982 N GLU A 74 -0.467 -11.852 4.084 1.00 0.00 N ATOM 983 CA GLU A 74 -0.186 -12.376 5.453 1.00 0.00 C ATOM 984 C GLU A 74 0.973 -11.597 6.079 1.00 0.00 C ATOM 985 O GLU A 74 0.878 -11.096 7.181 1.00 0.00 O ATOM 986 CB GLU A 74 0.205 -13.855 5.350 1.00 0.00 C ATOM 987 CG GLU A 74 -0.977 -14.681 4.837 1.00 0.00 C ATOM 988 CD GLU A 74 -2.112 -14.645 5.860 1.00 0.00 C ATOM 989 OE1 GLU A 74 -1.832 -14.368 7.015 1.00 0.00 O ATOM 990 OE2 GLU A 74 -3.242 -14.899 5.474 1.00 0.00 O ATOM 0 H GLU A 74 -0.398 -12.542 3.336 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.075 -12.263 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.055 -13.968 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.519 -14.224 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.322 -14.285 3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.665 -15.711 4.661 1.00 0.00 H new ATOM 997 N GLU A 75 2.069 -11.495 5.374 1.00 0.00 N ATOM 998 CA GLU A 75 3.247 -10.749 5.918 1.00 0.00 C ATOM 999 C GLU A 75 2.892 -9.268 6.077 1.00 0.00 C ATOM 1000 O GLU A 75 3.211 -8.639 7.067 1.00 0.00 O ATOM 1001 CB GLU A 75 4.421 -10.882 4.945 1.00 0.00 C ATOM 1002 CG GLU A 75 4.940 -12.322 4.955 1.00 0.00 C ATOM 1003 CD GLU A 75 6.064 -12.477 3.927 1.00 0.00 C ATOM 1004 OE1 GLU A 75 6.377 -11.501 3.265 1.00 0.00 O ATOM 1005 OE2 GLU A 75 6.595 -13.570 3.821 1.00 0.00 O ATOM 0 H GLU A 75 2.201 -11.895 4.445 1.00 0.00 H new ATOM 0 HA GLU A 75 3.520 -11.163 6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.105 -10.606 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.219 -10.196 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.306 -12.579 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.128 -13.012 4.726 1.00 0.00 H new ATOM 1012 N LEU A 76 2.234 -8.713 5.102 1.00 0.00 N ATOM 1013 CA LEU A 76 1.848 -7.274 5.174 1.00 0.00 C ATOM 1014 C LEU A 76 0.874 -7.070 6.342 1.00 0.00 C ATOM 1015 O LEU A 76 0.932 -6.088 7.055 1.00 0.00 O ATOM 1016 CB LEU A 76 1.181 -6.864 3.859 1.00 0.00 C ATOM 1017 CG LEU A 76 0.780 -5.383 3.893 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.019 -4.501 4.119 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.124 -5.012 2.559 1.00 0.00 C ATOM 0 H LEU A 76 1.944 -9.195 4.251 1.00 0.00 H new ATOM 0 HA LEU A 76 2.734 -6.659 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.864 -7.042 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.299 -7.481 3.685 1.00 0.00 H new ATOM 0 HG LEU A 76 0.079 -5.219 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.720 -3.453 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.486 -4.765 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.731 -4.659 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.164 -3.961 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.830 -5.182 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.762 -5.628 2.405 1.00 0.00 H new ATOM 1031 N ASP A 77 -0.018 -8.004 6.533 1.00 0.00 N ATOM 1032 CA ASP A 77 -1.008 -7.891 7.647 1.00 0.00 C ATOM 1033 C ASP A 77 -0.263 -7.845 8.987 1.00 0.00 C ATOM 1034 O ASP A 77 -0.633 -7.130 9.898 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.931 -9.110 7.625 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.958 -9.000 8.754 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.858 -8.058 9.524 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.825 -9.852 8.826 1.00 0.00 O ATOM 0 H ASP A 77 -0.105 -8.846 5.963 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.596 -6.981 7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.439 -9.176 6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.347 -10.023 7.740 1.00 0.00 H new ATOM 1043 N LYS A 78 0.791 -8.605 9.106 1.00 0.00 N ATOM 1044 CA LYS A 78 1.582 -8.613 10.375 1.00 0.00 C ATOM 1045 C LYS A 78 2.263 -7.248 10.564 1.00 0.00 C ATOM 1046 O LYS A 78 2.391 -6.748 11.662 1.00 0.00 O ATOM 1047 CB LYS A 78 2.644 -9.712 10.314 1.00 0.00 C ATOM 1048 CG LYS A 78 1.964 -11.085 10.358 1.00 0.00 C ATOM 1049 CD LYS A 78 3.021 -12.191 10.268 1.00 0.00 C ATOM 1050 CE LYS A 78 2.338 -13.562 10.318 1.00 0.00 C ATOM 1051 NZ LYS A 78 3.367 -14.636 10.213 1.00 0.00 N ATOM 0 H LYS A 78 1.142 -9.225 8.376 1.00 0.00 H new ATOM 0 HA LYS A 78 0.914 -8.805 11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.231 -9.615 9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.336 -9.610 11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.393 -11.189 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.257 -11.177 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.589 -12.090 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.731 -12.097 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.780 -13.668 11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.619 -13.652 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.903 -15.566 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.881 -14.538 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.036 -14.554 11.005 1.00 0.00 H new ATOM 1065 N MET A 79 2.704 -6.652 9.487 1.00 0.00 N ATOM 1066 CA MET A 79 3.387 -5.323 9.578 1.00 0.00 C ATOM 1067 C MET A 79 2.412 -4.270 10.115 1.00 0.00 C ATOM 1068 O MET A 79 2.764 -3.430 10.922 1.00 0.00 O ATOM 1069 CB MET A 79 3.849 -4.895 8.180 1.00 0.00 C ATOM 1070 CG MET A 79 5.097 -5.685 7.779 1.00 0.00 C ATOM 1071 SD MET A 79 5.622 -5.188 6.118 1.00 0.00 S ATOM 1072 CE MET A 79 6.611 -3.747 6.601 1.00 0.00 C ATOM 0 H MET A 79 2.621 -7.029 8.543 1.00 0.00 H new ATOM 0 HA MET A 79 4.241 -5.408 10.250 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.052 -5.065 7.456 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.065 -3.827 8.170 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.899 -5.505 8.494 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.886 -6.754 7.800 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.035 -3.282 5.711 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.977 -3.028 7.119 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.416 -4.064 7.264 1.00 0.00 H new ATOM 1082 N PHE A 80 1.190 -4.308 9.659 1.00 0.00 N ATOM 1083 CA PHE A 80 0.178 -3.311 10.116 1.00 0.00 C ATOM 1084 C PHE A 80 0.278 -3.111 11.631 1.00 0.00 C ATOM 1085 O PHE A 80 -0.233 -3.887 12.418 1.00 0.00 O ATOM 1086 CB PHE A 80 -1.232 -3.808 9.738 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.631 -3.254 8.385 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.768 -3.391 7.290 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.855 -2.593 8.230 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -1.133 -2.873 6.043 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -3.217 -2.072 6.986 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.357 -2.212 5.892 1.00 0.00 C ATOM 0 H PHE A 80 0.846 -4.992 8.985 1.00 0.00 H new ATOM 0 HA PHE A 80 0.368 -2.355 9.629 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.248 -4.898 9.713 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.952 -3.496 10.495 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.179 -3.896 7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.520 -2.486 9.074 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.470 -2.983 5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.161 -1.561 6.869 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.638 -1.810 4.930 1.00 0.00 H new ATOM 1102 N GLN A 81 0.937 -2.061 12.029 1.00 0.00 N ATOM 1103 CA GLN A 81 1.080 -1.773 13.484 1.00 0.00 C ATOM 1104 C GLN A 81 -0.280 -1.404 14.070 1.00 0.00 C ATOM 1105 O GLN A 81 -0.591 -1.734 15.196 1.00 0.00 O ATOM 1106 CB GLN A 81 2.046 -0.600 13.674 1.00 0.00 C ATOM 1107 CG GLN A 81 2.293 -0.377 15.169 1.00 0.00 C ATOM 1108 CD GLN A 81 3.241 0.809 15.368 1.00 0.00 C ATOM 1109 OE1 GLN A 81 3.105 1.828 14.726 1.00 0.00 O ATOM 1110 NE2 GLN A 81 4.204 0.710 16.245 1.00 0.00 N ATOM 0 H GLN A 81 1.385 -1.387 11.408 1.00 0.00 H new ATOM 0 HA GLN A 81 1.466 -2.656 13.992 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.988 -0.805 13.166 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.632 0.302 13.225 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.348 -0.188 15.679 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.721 -1.275 15.614 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.317 -0.149 16.784 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.843 1.491 16.391 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.092 -0.704 13.311 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.437 -0.286 13.823 1.00 0.00 C ATOM 1121 C GLU A 82 -3.535 -1.136 13.165 1.00 0.00 C ATOM 1122 O GLU A 82 -3.374 -1.617 12.060 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.667 1.194 13.485 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.957 2.071 14.522 1.00 0.00 C ATOM 1125 CD GLU A 82 -1.834 3.500 13.994 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -0.851 3.782 13.330 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -2.725 4.288 14.267 1.00 0.00 O ATOM 0 H GLU A 82 -0.881 -0.404 12.359 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.473 -0.430 14.903 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.288 1.413 12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.734 1.414 13.476 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.514 2.066 15.459 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.968 1.667 14.738 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.643 -1.309 13.844 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.795 -2.105 13.324 1.00 0.00 C ATOM 1136 C PRO A 83 -6.480 -1.445 12.121 1.00 0.00 C ATOM 1137 O PRO A 83 -6.238 -0.299 11.794 1.00 0.00 O ATOM 1138 CB PRO A 83 -6.756 -2.185 14.528 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.414 -1.002 15.375 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.918 -0.778 15.190 1.00 0.00 C ATOM 0 HA PRO A 83 -5.476 -3.080 12.956 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.797 -2.152 14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.623 -3.116 15.078 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.982 -0.124 15.068 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.655 -1.188 16.422 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.660 0.279 15.263 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.339 -1.300 15.951 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.325 -2.188 11.459 1.00 0.00 N ATOM 1149 CA ARG A 84 -8.036 -1.650 10.263 1.00 0.00 C ATOM 1150 C ARG A 84 -8.946 -0.490 10.667 1.00 0.00 C ATOM 1151 O ARG A 84 -9.588 -0.509 11.701 1.00 0.00 O ATOM 1152 CB ARG A 84 -8.879 -2.762 9.631 1.00 0.00 C ATOM 1153 CG ARG A 84 -7.951 -3.800 8.989 1.00 0.00 C ATOM 1154 CD ARG A 84 -8.783 -4.892 8.306 1.00 0.00 C ATOM 1155 NE ARG A 84 -9.554 -5.657 9.329 1.00 0.00 N ATOM 1156 CZ ARG A 84 -8.956 -6.525 10.101 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -7.675 -6.748 9.987 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -9.650 -7.178 10.994 1.00 0.00 N ATOM 0 H ARG A 84 -7.555 -3.153 11.697 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.300 -1.289 9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.504 -3.235 10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.550 -2.344 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.300 -3.317 8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.306 -4.243 9.748 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.465 -4.443 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.130 -5.566 7.751 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.557 -5.501 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.129 -6.242 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.220 -7.428 10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.652 -7.009 11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.190 -7.857 11.600 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.992 0.527 9.850 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.845 1.715 10.157 1.00 0.00 C ATOM 1174 C LYS A 85 -10.433 2.284 8.858 1.00 0.00 C ATOM 1175 O LYS A 85 -11.268 1.671 8.224 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.994 2.790 10.834 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.607 2.328 12.238 1.00 0.00 C ATOM 1178 CD LYS A 85 -7.784 3.418 12.929 1.00 0.00 C ATOM 1179 CE LYS A 85 -7.388 2.949 14.332 1.00 0.00 C ATOM 1180 NZ LYS A 85 -6.608 4.020 15.014 1.00 0.00 N ATOM 0 H LYS A 85 -8.471 0.588 8.975 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.655 1.412 10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.098 2.984 10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.549 3.727 10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.503 2.111 12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.031 1.404 12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.892 3.641 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.362 4.340 12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.279 2.709 14.912 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.794 2.037 14.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.339 3.701 15.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.750 4.229 14.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.189 4.879 15.088 1.00 0.00 H new ATOM 1194 N GLY A 86 -9.998 3.453 8.467 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.536 4.069 7.221 1.00 0.00 C ATOM 1196 C GLY A 86 -9.823 5.398 6.928 1.00 0.00 C ATOM 1197 O GLY A 86 -9.196 6.001 7.790 1.00 0.00 O ATOM 0 H GLY A 86 -9.295 4.006 8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.402 3.385 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.608 4.239 7.326 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.919 5.833 5.702 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.265 7.104 5.279 1.00 0.00 C ATOM 1203 C TYR A 87 -9.826 8.276 6.085 1.00 0.00 C ATOM 1204 O TYR A 87 -9.101 9.129 6.545 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.535 7.327 3.791 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.776 8.543 3.310 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.393 8.457 3.101 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.447 9.750 3.072 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.682 9.576 2.647 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.735 10.868 2.619 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.353 10.781 2.407 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.655 11.884 1.960 1.00 0.00 O ATOM 0 H TYR A 87 -10.432 5.353 4.963 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.192 7.039 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.232 6.449 3.221 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.603 7.463 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.875 7.528 3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.512 9.818 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.617 9.509 2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.252 11.798 2.433 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.272 12.636 1.843 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.122 8.318 6.246 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.759 9.438 7.010 1.00 0.00 C ATOM 1224 C ASP A 88 -11.202 9.486 8.439 1.00 0.00 C ATOM 1225 O ASP A 88 -10.962 10.545 8.995 1.00 0.00 O ATOM 1226 CB ASP A 88 -13.269 9.209 7.067 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.929 10.324 7.879 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -13.736 11.476 7.530 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.621 10.005 8.833 1.00 0.00 O ATOM 0 H ASP A 88 -11.772 7.623 5.880 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.541 10.382 6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.682 9.187 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.483 8.241 7.520 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.001 8.345 9.040 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.471 8.318 10.435 1.00 0.00 C ATOM 1236 C GLU A 89 -9.124 9.046 10.489 1.00 0.00 C ATOM 1237 O GLU A 89 -8.938 9.987 11.239 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.263 6.863 10.866 1.00 0.00 C ATOM 1239 CG GLU A 89 -11.606 6.126 10.900 1.00 0.00 C ATOM 1240 CD GLU A 89 -12.482 6.680 12.024 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -11.975 7.451 12.822 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -13.646 6.319 12.073 1.00 0.00 O ATOM 0 H GLU A 89 -11.180 7.430 8.626 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.181 8.809 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.583 6.365 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.797 6.830 11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.115 6.238 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.440 5.059 11.050 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.185 8.617 9.688 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.841 9.273 9.687 1.00 0.00 C ATOM 1251 C ILE A 90 -6.961 10.714 9.182 1.00 0.00 C ATOM 1252 O ILE A 90 -6.158 11.570 9.495 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.895 8.487 8.773 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.502 8.384 7.367 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -5.692 7.079 9.338 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.464 7.810 6.396 1.00 0.00 C ATOM 0 H ILE A 90 -8.289 7.841 9.034 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.446 9.285 10.703 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.937 9.003 8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.386 7.746 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.826 9.368 7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.019 6.520 8.688 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.260 7.146 10.336 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.653 6.567 9.393 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.899 7.738 5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.593 8.465 6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.161 6.818 6.732 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.957 10.975 8.384 1.00 0.00 N ATOM 1269 CA LEU A 91 -8.138 12.348 7.829 1.00 0.00 C ATOM 1270 C LEU A 91 -8.411 13.333 8.976 1.00 0.00 C ATOM 1271 O LEU A 91 -7.996 14.475 8.946 1.00 0.00 O ATOM 1272 CB LEU A 91 -9.321 12.354 6.844 1.00 0.00 C ATOM 1273 CG LEU A 91 -9.060 13.358 5.719 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -10.239 13.360 4.744 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -8.866 14.757 6.308 1.00 0.00 C ATOM 0 H LEU A 91 -8.658 10.295 8.090 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.232 12.650 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.463 11.357 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.240 12.614 7.369 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.156 13.070 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.049 14.076 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.360 12.364 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.149 13.641 5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.680 15.468 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.764 15.051 6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.015 14.750 6.989 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.123 12.897 9.980 1.00 0.00 N ATOM 1288 CA GLU A 92 -9.441 13.811 11.118 1.00 0.00 C ATOM 1289 C GLU A 92 -8.147 14.451 11.631 1.00 0.00 C ATOM 1290 O GLU A 92 -8.139 15.572 12.107 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.099 13.010 12.243 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.462 12.482 11.777 1.00 0.00 C ATOM 1293 CD GLU A 92 -12.413 13.648 11.504 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -12.154 14.729 12.009 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -13.385 13.443 10.796 1.00 0.00 O ATOM 0 H GLU A 92 -9.497 11.952 10.063 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.124 14.592 10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.457 12.179 12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.224 13.639 13.124 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.339 11.884 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.886 11.827 12.538 1.00 0.00 H new