USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 957 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 83 ASN : amide:sc= -3.7 K(o=-2.8,f=-6.3!) USER MOD Set 1.2: A 103 THR OG1 : rot 85:sc= 0.931 USER MOD Set 2.1: A 62 GLN : amide:sc= 0 X(o=0.17,f=0.1) USER MOD Set 2.2: A 65 SER OG : rot 21:sc= 0.167 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 63:sc= 0.145 USER MOD Single : A 10 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.64) USER MOD Single : A 14 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.853 K(o=-0.85,f=-1.8) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 171:sc= 0 (180deg=-0.109) USER MOD Single : A 22 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.2!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 30:sc= 0.766 USER MOD Single : A 36 THR OG1 : rot -1:sc= 0.489 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 115:sc= 1.26 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.0066) USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.00718) USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= -0.155 (180deg=-1.18!) USER MOD Single : A 71 GLN : amide:sc= -0.29 K(o=-0.29,f=-3.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0.947 K(o=0.95,f=-4!) USER MOD Single : A 84 HIS : no HD1:sc= -0.552 K(o=-0.55,f=0.024) USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00584 USER MOD Single : A 89 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.64) USER MOD Single : A 90 ASN : amide:sc= -1.16 K(o=-1.2,f=0.73) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -4.95 K(o=-4.9,f=-3.5) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.22) USER MOD Single : A 101 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.55) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.016) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 29:sc= 0.00673 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.071 -2.810 -23.656 1.00 0.00 N ATOM 2 CA GLY A 1 19.470 -2.447 -24.926 1.00 0.00 C ATOM 3 C GLY A 1 18.052 -1.934 -24.771 1.00 0.00 C ATOM 4 O GLY A 1 17.831 -0.731 -24.636 1.00 0.00 O ATOM 0 H1 GLY A 1 21.039 -3.154 -23.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.098 -1.977 -23.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.507 -3.559 -23.207 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.079 -1.682 -25.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.469 -3.315 -25.585 1.00 0.00 H new ATOM 8 N SER A 2 17.088 -2.849 -24.791 1.00 0.00 N ATOM 9 CA SER A 2 15.683 -2.482 -24.657 1.00 0.00 C ATOM 10 C SER A 2 15.485 -1.504 -23.504 1.00 0.00 C ATOM 11 O SER A 2 16.260 -1.489 -22.547 1.00 0.00 O ATOM 12 CB SER A 2 14.828 -3.731 -24.434 1.00 0.00 C ATOM 13 OG SER A 2 15.061 -4.696 -25.446 1.00 0.00 O ATOM 0 H SER A 2 17.254 -3.850 -24.899 1.00 0.00 H new ATOM 0 HA SER A 2 15.370 -1.995 -25.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.054 -4.161 -23.458 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.773 -3.457 -24.425 1.00 0.00 H new ATOM 0 HG SER A 2 14.504 -5.485 -25.280 1.00 0.00 H new ATOM 19 N SER A 3 14.441 -0.687 -23.601 1.00 0.00 N ATOM 20 CA SER A 3 14.142 0.298 -22.569 1.00 0.00 C ATOM 21 C SER A 3 12.691 0.182 -22.112 1.00 0.00 C ATOM 22 O SER A 3 11.764 0.333 -22.906 1.00 0.00 O ATOM 23 CB SER A 3 14.413 1.711 -23.089 1.00 0.00 C ATOM 24 OG SER A 3 15.804 1.950 -23.213 1.00 0.00 O ATOM 0 H SER A 3 13.788 -0.688 -24.384 1.00 0.00 H new ATOM 0 HA SER A 3 14.791 0.102 -21.715 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.930 1.845 -24.057 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.974 2.442 -22.410 1.00 0.00 H new ATOM 0 HG SER A 3 15.951 2.859 -23.549 1.00 0.00 H new ATOM 30 N GLY A 4 12.502 -0.087 -20.823 1.00 0.00 N ATOM 31 CA GLY A 4 11.163 -0.219 -20.281 1.00 0.00 C ATOM 32 C GLY A 4 10.667 -1.651 -20.304 1.00 0.00 C ATOM 33 O GLY A 4 9.797 -2.002 -21.101 1.00 0.00 O ATOM 0 H GLY A 4 13.253 -0.216 -20.145 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.152 0.150 -19.255 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.479 0.408 -20.853 1.00 0.00 H new ATOM 37 N SER A 5 11.222 -2.482 -19.427 1.00 0.00 N ATOM 38 CA SER A 5 10.834 -3.886 -19.353 1.00 0.00 C ATOM 39 C SER A 5 9.317 -4.028 -19.283 1.00 0.00 C ATOM 40 O SER A 5 8.655 -3.349 -18.498 1.00 0.00 O ATOM 41 CB SER A 5 11.477 -4.551 -18.135 1.00 0.00 C ATOM 42 OG SER A 5 11.587 -5.952 -18.317 1.00 0.00 O ATOM 0 H SER A 5 11.941 -2.207 -18.758 1.00 0.00 H new ATOM 0 HA SER A 5 11.186 -4.383 -20.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.465 -4.125 -17.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.881 -4.342 -17.246 1.00 0.00 H new ATOM 0 HG SER A 5 12.003 -6.353 -17.525 1.00 0.00 H new ATOM 48 N SER A 6 8.773 -4.916 -20.109 1.00 0.00 N ATOM 49 CA SER A 6 7.333 -5.145 -20.144 1.00 0.00 C ATOM 50 C SER A 6 7.022 -6.638 -20.182 1.00 0.00 C ATOM 51 O SER A 6 7.924 -7.473 -20.131 1.00 0.00 O ATOM 52 CB SER A 6 6.715 -4.452 -21.360 1.00 0.00 C ATOM 53 OG SER A 6 6.805 -3.043 -21.244 1.00 0.00 O ATOM 0 H SER A 6 9.307 -5.488 -20.763 1.00 0.00 H new ATOM 0 HA SER A 6 6.900 -4.724 -19.236 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.224 -4.779 -22.267 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.670 -4.746 -21.458 1.00 0.00 H new ATOM 0 HG SER A 6 7.748 -2.776 -21.218 1.00 0.00 H new ATOM 59 N GLY A 7 5.737 -6.966 -20.273 1.00 0.00 N ATOM 60 CA GLY A 7 5.328 -8.358 -20.317 1.00 0.00 C ATOM 61 C GLY A 7 6.142 -9.231 -19.383 1.00 0.00 C ATOM 62 O GLY A 7 6.929 -10.067 -19.831 1.00 0.00 O ATOM 0 H GLY A 7 4.972 -6.293 -20.317 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.273 -8.432 -20.052 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.427 -8.731 -21.336 1.00 0.00 H new ATOM 66 N LEU A 8 5.957 -9.037 -18.082 1.00 0.00 N ATOM 67 CA LEU A 8 6.682 -9.813 -17.082 1.00 0.00 C ATOM 68 C LEU A 8 6.736 -11.287 -17.470 1.00 0.00 C ATOM 69 O LEU A 8 6.023 -11.729 -18.369 1.00 0.00 O ATOM 70 CB LEU A 8 6.022 -9.658 -15.711 1.00 0.00 C ATOM 71 CG LEU A 8 6.205 -8.303 -15.027 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.062 -7.366 -15.385 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.302 -8.476 -13.518 1.00 0.00 C ATOM 0 H LEU A 8 5.311 -8.349 -17.695 1.00 0.00 H new ATOM 0 HA LEU A 8 7.702 -9.432 -17.032 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.954 -9.846 -15.821 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.415 -10.431 -15.051 1.00 0.00 H new ATOM 0 HG LEU A 8 7.136 -7.861 -15.383 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.209 -6.407 -14.889 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.038 -7.217 -16.464 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.118 -7.802 -15.058 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.432 -7.501 -13.048 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.389 -8.940 -13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.155 -9.111 -13.279 1.00 0.00 H new ATOM 85 N GLY A 9 7.586 -12.044 -16.782 1.00 0.00 N ATOM 86 CA GLY A 9 7.716 -13.461 -17.068 1.00 0.00 C ATOM 87 C GLY A 9 6.847 -14.316 -16.167 1.00 0.00 C ATOM 88 O GLY A 9 5.662 -14.038 -15.990 1.00 0.00 O ATOM 0 H GLY A 9 8.186 -11.701 -16.032 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.447 -13.645 -18.108 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.758 -13.758 -16.951 1.00 0.00 H new ATOM 92 N ASN A 10 7.438 -15.361 -15.596 1.00 0.00 N ATOM 93 CA ASN A 10 6.710 -16.261 -14.709 1.00 0.00 C ATOM 94 C ASN A 10 5.666 -15.499 -13.898 1.00 0.00 C ATOM 95 O ASN A 10 4.464 -15.660 -14.109 1.00 0.00 O ATOM 96 CB ASN A 10 7.679 -16.978 -13.768 1.00 0.00 C ATOM 97 CG ASN A 10 8.903 -17.507 -14.491 1.00 0.00 C ATOM 98 OD1 ASN A 10 9.908 -16.810 -14.625 1.00 0.00 O ATOM 99 ND2 ASN A 10 8.822 -18.747 -14.961 1.00 0.00 N ATOM 0 H ASN A 10 8.419 -15.605 -15.732 1.00 0.00 H new ATOM 0 HA ASN A 10 6.198 -17.001 -15.324 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.993 -16.291 -12.982 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.163 -17.805 -13.281 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.614 -19.157 -15.456 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.968 -19.289 -14.827 1.00 0.00 H new ATOM 106 N GLU A 11 6.135 -14.669 -12.972 1.00 0.00 N ATOM 107 CA GLU A 11 5.241 -13.882 -12.130 1.00 0.00 C ATOM 108 C GLU A 11 5.034 -12.486 -12.711 1.00 0.00 C ATOM 109 O GLU A 11 5.987 -11.725 -12.880 1.00 0.00 O ATOM 110 CB GLU A 11 5.803 -13.777 -10.710 1.00 0.00 C ATOM 111 CG GLU A 11 7.152 -13.081 -10.640 1.00 0.00 C ATOM 112 CD GLU A 11 7.727 -13.064 -9.237 1.00 0.00 C ATOM 113 OE1 GLU A 11 7.596 -14.086 -8.530 1.00 0.00 O ATOM 114 OE2 GLU A 11 8.307 -12.031 -8.845 1.00 0.00 O ATOM 0 H GLU A 11 7.127 -14.524 -12.786 1.00 0.00 H new ATOM 0 HA GLU A 11 4.277 -14.389 -12.095 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.092 -13.236 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.898 -14.779 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.851 -13.583 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.047 -12.057 -10.998 1.00 0.00 H new ATOM 121 N ASP A 12 3.783 -12.158 -13.015 1.00 0.00 N ATOM 122 CA ASP A 12 3.450 -10.855 -13.577 1.00 0.00 C ATOM 123 C ASP A 12 2.899 -9.924 -12.501 1.00 0.00 C ATOM 124 O ASP A 12 2.401 -10.376 -11.470 1.00 0.00 O ATOM 125 CB ASP A 12 2.430 -11.008 -14.707 1.00 0.00 C ATOM 126 CG ASP A 12 1.045 -11.351 -14.194 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.451 -10.513 -13.485 1.00 0.00 O ATOM 128 OD2 ASP A 12 0.556 -12.457 -14.503 1.00 0.00 O ATOM 0 H ASP A 12 2.983 -12.777 -12.882 1.00 0.00 H new ATOM 0 HA ASP A 12 4.363 -10.417 -13.979 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.383 -10.081 -15.278 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.764 -11.788 -15.391 1.00 0.00 H new ATOM 133 N PHE A 13 2.992 -8.622 -12.748 1.00 0.00 N ATOM 134 CA PHE A 13 2.504 -7.627 -11.800 1.00 0.00 C ATOM 135 C PHE A 13 1.223 -8.103 -11.123 1.00 0.00 C ATOM 136 O PHE A 13 1.165 -8.231 -9.900 1.00 0.00 O ATOM 137 CB PHE A 13 2.255 -6.294 -12.509 1.00 0.00 C ATOM 138 CG PHE A 13 1.711 -5.226 -11.604 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.268 -5.008 -10.355 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.641 -4.441 -12.003 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.769 -4.026 -9.520 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.139 -3.457 -11.173 1.00 0.00 C ATOM 143 CZ PHE A 13 0.703 -3.250 -9.929 1.00 0.00 C ATOM 0 H PHE A 13 3.401 -8.231 -13.597 1.00 0.00 H new ATOM 0 HA PHE A 13 3.267 -7.486 -11.035 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.190 -5.945 -12.948 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.556 -6.453 -13.330 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.102 -5.612 -10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.195 -4.600 -12.973 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.213 -3.866 -8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.694 -2.850 -11.497 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.311 -2.483 -9.278 1.00 0.00 H new ATOM 153 N ASN A 14 0.197 -8.364 -11.927 1.00 0.00 N ATOM 154 CA ASN A 14 -1.085 -8.824 -11.406 1.00 0.00 C ATOM 155 C ASN A 14 -0.908 -10.083 -10.562 1.00 0.00 C ATOM 156 O ASN A 14 -1.650 -10.311 -9.607 1.00 0.00 O ATOM 157 CB ASN A 14 -2.056 -9.100 -12.555 1.00 0.00 C ATOM 158 CG ASN A 14 -2.783 -7.850 -13.011 1.00 0.00 C ATOM 159 OD1 ASN A 14 -4.006 -7.758 -12.910 1.00 0.00 O ATOM 160 ND2 ASN A 14 -2.030 -6.879 -13.517 1.00 0.00 N ATOM 0 H ASN A 14 0.229 -8.265 -12.942 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.496 -8.037 -10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.508 -9.525 -13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.785 -9.846 -12.239 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.463 -6.014 -13.841 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.019 -6.999 -13.582 1.00 0.00 H new ATOM 167 N SER A 15 0.081 -10.896 -10.920 1.00 0.00 N ATOM 168 CA SER A 15 0.353 -12.133 -10.198 1.00 0.00 C ATOM 169 C SER A 15 0.998 -11.841 -8.846 1.00 0.00 C ATOM 170 O SER A 15 0.509 -12.279 -7.805 1.00 0.00 O ATOM 171 CB SER A 15 1.265 -13.041 -11.025 1.00 0.00 C ATOM 172 OG SER A 15 1.055 -14.405 -10.702 1.00 0.00 O ATOM 0 H SER A 15 0.707 -10.720 -11.706 1.00 0.00 H new ATOM 0 HA SER A 15 -0.596 -12.642 -10.027 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.076 -12.882 -12.087 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.307 -12.777 -10.844 1.00 0.00 H new ATOM 0 HG SER A 15 1.648 -14.965 -11.245 1.00 0.00 H new ATOM 178 N VAL A 16 2.100 -11.099 -8.871 1.00 0.00 N ATOM 179 CA VAL A 16 2.813 -10.747 -7.648 1.00 0.00 C ATOM 180 C VAL A 16 1.885 -10.067 -6.648 1.00 0.00 C ATOM 181 O VAL A 16 1.904 -10.380 -5.457 1.00 0.00 O ATOM 182 CB VAL A 16 4.004 -9.816 -7.941 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.571 -8.655 -8.823 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.617 -9.311 -6.644 1.00 0.00 C ATOM 0 H VAL A 16 2.519 -10.730 -9.725 1.00 0.00 H new ATOM 0 HA VAL A 16 3.186 -11.677 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 16 4.763 -10.385 -8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.426 -8.008 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.183 -9.040 -9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.793 -8.084 -8.317 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.457 -8.655 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.867 -8.759 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.967 -10.158 -6.053 1.00 0.00 H new ATOM 194 N ILE A 17 1.073 -9.137 -7.139 1.00 0.00 N ATOM 195 CA ILE A 17 0.137 -8.414 -6.288 1.00 0.00 C ATOM 196 C ILE A 17 -0.915 -9.353 -5.706 1.00 0.00 C ATOM 197 O ILE A 17 -1.145 -9.370 -4.497 1.00 0.00 O ATOM 198 CB ILE A 17 -0.571 -7.286 -7.061 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.451 -6.262 -7.561 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.614 -6.614 -6.180 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.105 -5.469 -6.451 1.00 0.00 C ATOM 0 H ILE A 17 1.045 -8.867 -8.122 1.00 0.00 H new ATOM 0 HA ILE A 17 0.720 -7.978 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.077 -7.719 -7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.223 -6.780 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.043 -5.573 -8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.106 -5.819 -6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.355 -7.350 -5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.129 -6.191 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.817 -4.763 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.342 -4.923 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.628 -6.148 -5.778 1.00 0.00 H new ATOM 213 N GLN A 18 -1.548 -10.134 -6.575 1.00 0.00 N ATOM 214 CA GLN A 18 -2.575 -11.077 -6.147 1.00 0.00 C ATOM 215 C GLN A 18 -2.007 -12.087 -5.155 1.00 0.00 C ATOM 216 O GLN A 18 -2.710 -12.550 -4.257 1.00 0.00 O ATOM 217 CB GLN A 18 -3.162 -11.808 -7.356 1.00 0.00 C ATOM 218 CG GLN A 18 -4.106 -10.952 -8.185 1.00 0.00 C ATOM 219 CD GLN A 18 -5.320 -10.494 -7.400 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.631 -9.303 -7.354 1.00 0.00 O ATOM 221 NE2 GLN A 18 -6.013 -11.439 -6.777 1.00 0.00 N ATOM 0 H GLN A 18 -1.368 -10.133 -7.579 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.366 -10.514 -5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.347 -12.155 -7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.696 -12.693 -7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.568 -10.080 -8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.434 -11.519 -9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.719 -12.414 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.839 -11.191 -6.233 1.00 0.00 H new ATOM 230 N GLN A 19 -0.732 -12.422 -5.323 1.00 0.00 N ATOM 231 CA GLN A 19 -0.071 -13.377 -4.442 1.00 0.00 C ATOM 232 C GLN A 19 0.222 -12.752 -3.083 1.00 0.00 C ATOM 233 O GLN A 19 0.068 -13.397 -2.046 1.00 0.00 O ATOM 234 CB GLN A 19 1.228 -13.875 -5.078 1.00 0.00 C ATOM 235 CG GLN A 19 1.014 -14.929 -6.153 1.00 0.00 C ATOM 236 CD GLN A 19 2.256 -15.760 -6.411 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.351 -15.224 -6.583 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.091 -17.077 -6.438 1.00 0.00 N ATOM 0 H GLN A 19 -0.136 -12.046 -6.061 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.743 -14.222 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.758 -13.028 -5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.869 -14.287 -4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.197 -15.586 -5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.709 -14.441 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.165 -17.478 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.890 -17.688 -6.606 1.00 0.00 H new ATOM 247 N MET A 20 0.645 -11.492 -3.095 1.00 0.00 N ATOM 248 CA MET A 20 0.959 -10.779 -1.862 1.00 0.00 C ATOM 249 C MET A 20 -0.309 -10.484 -1.067 1.00 0.00 C ATOM 250 O MET A 20 -0.305 -10.523 0.163 1.00 0.00 O ATOM 251 CB MET A 20 1.694 -9.474 -2.175 1.00 0.00 C ATOM 252 CG MET A 20 3.028 -9.681 -2.873 1.00 0.00 C ATOM 253 SD MET A 20 3.534 -8.247 -3.842 1.00 0.00 S ATOM 254 CE MET A 20 3.778 -7.033 -2.548 1.00 0.00 C ATOM 0 H MET A 20 0.778 -10.944 -3.945 1.00 0.00 H new ATOM 0 HA MET A 20 1.606 -11.416 -1.258 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.058 -8.850 -2.802 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.860 -8.928 -1.246 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.793 -9.900 -2.128 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.961 -10.551 -3.526 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.245 -6.142 -2.968 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.815 -6.767 -2.112 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.423 -7.450 -1.775 1.00 0.00 H new ATOM 264 N ALA A 21 -1.392 -10.188 -1.778 1.00 0.00 N ATOM 265 CA ALA A 21 -2.667 -9.888 -1.139 1.00 0.00 C ATOM 266 C ALA A 21 -3.272 -11.137 -0.507 1.00 0.00 C ATOM 267 O ALA A 21 -3.922 -11.063 0.535 1.00 0.00 O ATOM 268 CB ALA A 21 -3.634 -9.283 -2.146 1.00 0.00 C ATOM 0 H ALA A 21 -1.412 -10.150 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.485 -9.163 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.582 -9.064 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.212 -8.361 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.802 -9.989 -2.959 1.00 0.00 H new ATOM 274 N GLN A 22 -3.054 -12.283 -1.145 1.00 0.00 N ATOM 275 CA GLN A 22 -3.579 -13.547 -0.644 1.00 0.00 C ATOM 276 C GLN A 22 -5.102 -13.516 -0.578 1.00 0.00 C ATOM 277 O GLN A 22 -5.697 -13.889 0.432 1.00 0.00 O ATOM 278 CB GLN A 22 -3.002 -13.852 0.739 1.00 0.00 C ATOM 279 CG GLN A 22 -1.484 -13.804 0.789 1.00 0.00 C ATOM 280 CD GLN A 22 -0.846 -15.138 0.455 1.00 0.00 C ATOM 281 OE1 GLN A 22 -1.505 -16.178 0.482 1.00 0.00 O ATOM 282 NE2 GLN A 22 0.443 -15.115 0.137 1.00 0.00 N ATOM 0 H GLN A 22 -2.518 -12.361 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.280 -14.335 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.404 -13.137 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.336 -14.841 1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.125 -13.049 0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.167 -13.493 1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.950 -14.230 0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.926 -15.982 -0.098 1.00 0.00 H new ATOM 291 N GLY A 23 -5.728 -13.067 -1.662 1.00 0.00 N ATOM 292 CA GLY A 23 -7.177 -12.995 -1.705 1.00 0.00 C ATOM 293 C GLY A 23 -7.707 -11.671 -1.191 1.00 0.00 C ATOM 294 O GLY A 23 -8.775 -11.220 -1.604 1.00 0.00 O ATOM 0 H GLY A 23 -5.258 -12.752 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.515 -13.145 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.596 -13.806 -1.110 1.00 0.00 H new ATOM 298 N ARG A 24 -6.960 -11.048 -0.285 1.00 0.00 N ATOM 299 CA ARG A 24 -7.362 -9.770 0.289 1.00 0.00 C ATOM 300 C ARG A 24 -7.847 -8.815 -0.798 1.00 0.00 C ATOM 301 O ARG A 24 -7.200 -8.659 -1.833 1.00 0.00 O ATOM 302 CB ARG A 24 -6.196 -9.141 1.053 1.00 0.00 C ATOM 303 CG ARG A 24 -5.981 -9.737 2.435 1.00 0.00 C ATOM 304 CD ARG A 24 -4.788 -9.106 3.134 1.00 0.00 C ATOM 305 NE ARG A 24 -3.531 -9.748 2.759 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.348 -9.147 2.829 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.262 -7.896 3.259 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.249 -9.797 2.469 1.00 0.00 N ATOM 0 H ARG A 24 -6.073 -11.408 0.067 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.184 -9.953 0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.283 -9.261 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.373 -8.070 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.877 -9.591 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.826 -10.813 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.742 -8.046 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.922 -9.175 4.213 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.563 -10.711 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.105 -7.393 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.353 -7.436 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.311 -10.760 2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.342 -9.334 2.523 1.00 0.00 H new ATOM 322 N GLN A 25 -8.988 -8.179 -0.554 1.00 0.00 N ATOM 323 CA GLN A 25 -9.559 -7.240 -1.512 1.00 0.00 C ATOM 324 C GLN A 25 -8.629 -6.052 -1.731 1.00 0.00 C ATOM 325 O GLN A 25 -8.383 -5.267 -0.814 1.00 0.00 O ATOM 326 CB GLN A 25 -10.925 -6.752 -1.028 1.00 0.00 C ATOM 327 CG GLN A 25 -11.499 -5.620 -1.865 1.00 0.00 C ATOM 328 CD GLN A 25 -12.780 -5.055 -1.284 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.636 -5.797 -0.800 1.00 0.00 O ATOM 330 NE2 GLN A 25 -12.919 -3.735 -1.328 1.00 0.00 N ATOM 0 H GLN A 25 -9.535 -8.297 0.299 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.683 -7.760 -2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.624 -7.589 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.837 -6.419 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.760 -4.823 -1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.691 -5.982 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.184 -3.158 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.760 -3.298 -0.952 1.00 0.00 H new ATOM 339 N ILE A 26 -8.114 -5.925 -2.949 1.00 0.00 N ATOM 340 CA ILE A 26 -7.212 -4.832 -3.287 1.00 0.00 C ATOM 341 C ILE A 26 -7.988 -3.593 -3.721 1.00 0.00 C ATOM 342 O ILE A 26 -9.006 -3.694 -4.404 1.00 0.00 O ATOM 343 CB ILE A 26 -6.238 -5.233 -4.411 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.451 -6.483 -4.011 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.292 -4.084 -4.728 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.834 -7.210 -5.186 1.00 0.00 C ATOM 0 H ILE A 26 -8.306 -6.566 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.641 -4.604 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.815 -5.460 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.662 -6.198 -3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.114 -7.165 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.610 -4.383 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.868 -3.217 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.719 -3.828 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.292 -8.085 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.620 -7.526 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.145 -6.544 -5.705 1.00 0.00 H new ATOM 358 N GLU A 27 -7.497 -2.424 -3.319 1.00 0.00 N ATOM 359 CA GLU A 27 -8.145 -1.165 -3.668 1.00 0.00 C ATOM 360 C GLU A 27 -7.122 -0.144 -4.158 1.00 0.00 C ATOM 361 O GLU A 27 -6.169 0.185 -3.451 1.00 0.00 O ATOM 362 CB GLU A 27 -8.903 -0.605 -2.462 1.00 0.00 C ATOM 363 CG GLU A 27 -10.300 -1.179 -2.301 1.00 0.00 C ATOM 364 CD GLU A 27 -11.169 -0.951 -3.523 1.00 0.00 C ATOM 365 OE1 GLU A 27 -11.180 0.185 -4.040 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.838 -1.910 -3.962 1.00 0.00 O ATOM 0 H GLU A 27 -6.655 -2.323 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.852 -1.361 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.330 -0.807 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.973 0.478 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.229 -2.249 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.777 -0.727 -1.431 1.00 0.00 H new ATOM 373 N TYR A 28 -7.326 0.352 -5.373 1.00 0.00 N ATOM 374 CA TYR A 28 -6.420 1.332 -5.961 1.00 0.00 C ATOM 375 C TYR A 28 -6.579 2.692 -5.288 1.00 0.00 C ATOM 376 O TYR A 28 -7.531 3.424 -5.561 1.00 0.00 O ATOM 377 CB TYR A 28 -6.679 1.461 -7.463 1.00 0.00 C ATOM 378 CG TYR A 28 -6.889 0.134 -8.157 1.00 0.00 C ATOM 379 CD1 TYR A 28 -5.816 -0.706 -8.431 1.00 0.00 C ATOM 380 CD2 TYR A 28 -8.159 -0.280 -8.539 1.00 0.00 C ATOM 381 CE1 TYR A 28 -6.003 -1.919 -9.065 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.355 -1.492 -9.172 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.274 -2.308 -9.434 1.00 0.00 C ATOM 384 OH TYR A 28 -7.465 -3.515 -10.066 1.00 0.00 O ATOM 0 H TYR A 28 -8.111 0.092 -5.970 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.399 0.985 -5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.558 2.086 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.836 1.974 -7.926 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.819 -0.405 -8.143 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.008 0.357 -8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.158 -2.560 -9.271 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.349 -1.799 -9.460 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.419 -3.637 -10.256 1.00 0.00 H new ATOM 394 N ILE A 29 -5.640 3.023 -4.408 1.00 0.00 N ATOM 395 CA ILE A 29 -5.674 4.295 -3.697 1.00 0.00 C ATOM 396 C ILE A 29 -4.924 5.376 -4.467 1.00 0.00 C ATOM 397 O ILE A 29 -3.694 5.427 -4.446 1.00 0.00 O ATOM 398 CB ILE A 29 -5.066 4.169 -2.288 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.637 2.944 -1.569 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.329 5.432 -1.482 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.123 3.038 -1.305 1.00 0.00 C ATOM 0 H ILE A 29 -4.846 2.428 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.723 4.578 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.988 4.041 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.438 2.055 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.115 2.813 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.893 5.327 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.879 6.286 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.404 5.589 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.459 2.136 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.327 3.907 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.655 3.138 -2.251 1.00 0.00 H new ATOM 413 N ASP A 30 -5.672 6.238 -5.146 1.00 0.00 N ATOM 414 CA ASP A 30 -5.078 7.321 -5.921 1.00 0.00 C ATOM 415 C ASP A 30 -4.913 8.574 -5.067 1.00 0.00 C ATOM 416 O ASP A 30 -5.896 9.156 -4.606 1.00 0.00 O ATOM 417 CB ASP A 30 -5.941 7.633 -7.146 1.00 0.00 C ATOM 418 CG ASP A 30 -5.827 6.569 -8.220 1.00 0.00 C ATOM 419 OD1 ASP A 30 -5.648 5.385 -7.865 1.00 0.00 O ATOM 420 OD2 ASP A 30 -5.916 6.920 -9.415 1.00 0.00 O ATOM 0 H ASP A 30 -6.691 6.208 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.092 6.998 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.983 7.725 -6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.644 8.597 -7.560 1.00 0.00 H new ATOM 425 N ILE A 31 -3.666 8.983 -4.861 1.00 0.00 N ATOM 426 CA ILE A 31 -3.373 10.167 -4.063 1.00 0.00 C ATOM 427 C ILE A 31 -2.736 11.260 -4.914 1.00 0.00 C ATOM 428 O ILE A 31 -1.746 11.024 -5.605 1.00 0.00 O ATOM 429 CB ILE A 31 -2.436 9.836 -2.887 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.124 8.879 -1.911 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.008 11.110 -2.174 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.205 8.350 -0.833 1.00 0.00 C ATOM 0 H ILE A 31 -2.842 8.512 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.324 10.525 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.545 9.346 -3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.963 9.393 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.537 8.039 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.346 10.858 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.482 11.760 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.888 11.626 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.761 7.679 -0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.379 7.807 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.812 9.182 -0.249 1.00 0.00 H new ATOM 444 N GLU A 32 -3.310 12.458 -4.856 1.00 0.00 N ATOM 445 CA GLU A 32 -2.797 13.588 -5.621 1.00 0.00 C ATOM 446 C GLU A 32 -1.745 14.353 -4.822 1.00 0.00 C ATOM 447 O GLU A 32 -2.076 15.161 -3.954 1.00 0.00 O ATOM 448 CB GLU A 32 -3.939 14.528 -6.013 1.00 0.00 C ATOM 449 CG GLU A 32 -3.468 15.894 -6.484 1.00 0.00 C ATOM 450 CD GLU A 32 -2.672 15.824 -7.772 1.00 0.00 C ATOM 451 OE1 GLU A 32 -3.034 15.016 -8.652 1.00 0.00 O ATOM 452 OE2 GLU A 32 -1.685 16.579 -7.900 1.00 0.00 O ATOM 0 H GLU A 32 -4.130 12.670 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.330 13.199 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.526 14.062 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.602 14.657 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.332 16.542 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.855 16.351 -5.707 1.00 0.00 H new ATOM 459 N ARG A 33 -0.477 14.092 -5.123 1.00 0.00 N ATOM 460 CA ARG A 33 0.623 14.754 -4.433 1.00 0.00 C ATOM 461 C ARG A 33 0.515 16.270 -4.564 1.00 0.00 C ATOM 462 O ARG A 33 0.484 16.822 -5.665 1.00 0.00 O ATOM 463 CB ARG A 33 1.965 14.278 -4.993 1.00 0.00 C ATOM 464 CG ARG A 33 2.540 13.077 -4.258 1.00 0.00 C ATOM 465 CD ARG A 33 3.401 13.504 -3.081 1.00 0.00 C ATOM 466 NE ARG A 33 4.429 14.465 -3.474 1.00 0.00 N ATOM 467 CZ ARG A 33 5.051 15.267 -2.618 1.00 0.00 C ATOM 468 NH1 ARG A 33 4.752 15.225 -1.327 1.00 0.00 N ATOM 469 NH2 ARG A 33 5.975 16.115 -3.052 1.00 0.00 N ATOM 0 H ARG A 33 -0.186 13.427 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 33 0.564 14.493 -3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.840 14.024 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.681 15.099 -4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.727 12.442 -3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.135 12.478 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.769 13.945 -2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.875 12.626 -2.641 1.00 0.00 H new ATOM 0 HE ARG A 33 4.683 14.523 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.042 14.575 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.232 15.842 -0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.208 16.151 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.452 16.731 -2.393 1.00 0.00 H new ATOM 483 N PRO A 34 0.454 16.962 -3.417 1.00 0.00 N ATOM 484 CA PRO A 34 0.347 18.423 -3.378 1.00 0.00 C ATOM 485 C PRO A 34 1.629 19.110 -3.837 1.00 0.00 C ATOM 486 O PRO A 34 2.574 18.454 -4.274 1.00 0.00 O ATOM 487 CB PRO A 34 0.082 18.720 -1.899 1.00 0.00 C ATOM 488 CG PRO A 34 0.668 17.561 -1.169 1.00 0.00 C ATOM 489 CD PRO A 34 0.485 16.370 -2.069 1.00 0.00 C ATOM 0 HA PRO A 34 -0.430 18.793 -4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.548 19.657 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.985 18.815 -1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.723 17.729 -0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.167 17.408 -0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.302 15.656 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.437 15.834 -1.844 1.00 0.00 H new ATOM 497 N SER A 35 1.653 20.435 -3.737 1.00 0.00 N ATOM 498 CA SER A 35 2.818 21.212 -4.146 1.00 0.00 C ATOM 499 C SER A 35 3.861 21.254 -3.033 1.00 0.00 C ATOM 500 O SER A 35 3.628 21.829 -1.969 1.00 0.00 O ATOM 501 CB SER A 35 2.401 22.634 -4.525 1.00 0.00 C ATOM 502 OG SER A 35 1.876 23.327 -3.405 1.00 0.00 O ATOM 0 H SER A 35 0.879 20.993 -3.376 1.00 0.00 H new ATOM 0 HA SER A 35 3.261 20.727 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.260 23.175 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.654 22.598 -5.318 1.00 0.00 H new ATOM 0 HG SER A 35 2.298 22.993 -2.586 1.00 0.00 H new ATOM 508 N THR A 36 5.012 20.640 -3.286 1.00 0.00 N ATOM 509 CA THR A 36 6.091 20.606 -2.307 1.00 0.00 C ATOM 510 C THR A 36 5.549 20.389 -0.899 1.00 0.00 C ATOM 511 O THR A 36 6.181 20.771 0.085 1.00 0.00 O ATOM 512 CB THR A 36 6.916 21.907 -2.333 1.00 0.00 C ATOM 513 OG1 THR A 36 6.091 23.017 -1.959 1.00 0.00 O ATOM 514 CG2 THR A 36 7.502 22.148 -3.716 1.00 0.00 C ATOM 0 H THR A 36 5.221 20.159 -4.161 1.00 0.00 H new ATOM 0 HA THR A 36 6.737 19.771 -2.578 1.00 0.00 H new ATOM 0 HB THR A 36 7.735 21.807 -1.621 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.180 22.703 -1.783 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.080 23.072 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.151 21.315 -3.986 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.695 22.230 -4.444 1.00 0.00 H new ATOM 522 N GLY A 37 4.375 19.773 -0.810 1.00 0.00 N ATOM 523 CA GLY A 37 3.768 19.516 0.483 1.00 0.00 C ATOM 524 C GLY A 37 4.142 18.156 1.038 1.00 0.00 C ATOM 525 O GLY A 37 5.294 17.920 1.398 1.00 0.00 O ATOM 0 H GLY A 37 3.833 19.447 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.077 20.290 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.684 19.582 0.392 1.00 0.00 H new ATOM 529 N GLY A 38 3.163 17.258 1.110 1.00 0.00 N ATOM 530 CA GLY A 38 3.416 15.926 1.629 1.00 0.00 C ATOM 531 C GLY A 38 2.236 14.995 1.433 1.00 0.00 C ATOM 532 O GLY A 38 1.181 15.410 0.951 1.00 0.00 O ATOM 0 H GLY A 38 2.201 17.429 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.292 15.507 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.651 15.992 2.691 1.00 0.00 H new ATOM 536 N LEU A 39 2.414 13.732 1.805 1.00 0.00 N ATOM 537 CA LEU A 39 1.355 12.737 1.666 1.00 0.00 C ATOM 538 C LEU A 39 0.388 12.803 2.843 1.00 0.00 C ATOM 539 O LEU A 39 -0.756 12.361 2.746 1.00 0.00 O ATOM 540 CB LEU A 39 1.957 11.335 1.563 1.00 0.00 C ATOM 541 CG LEU A 39 3.352 11.246 0.943 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.846 9.808 0.944 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.343 11.808 -0.471 1.00 0.00 C ATOM 0 H LEU A 39 3.281 13.372 2.205 1.00 0.00 H new ATOM 0 HA LEU A 39 0.801 12.956 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.998 10.905 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.281 10.713 0.976 1.00 0.00 H new ATOM 0 HG LEU A 39 4.036 11.843 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.840 9.764 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.891 9.439 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.162 9.188 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.344 11.737 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.646 11.238 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.033 12.853 -0.445 1.00 0.00 H new ATOM 555 N GLY A 40 0.855 13.361 3.956 1.00 0.00 N ATOM 556 CA GLY A 40 0.018 13.477 5.136 1.00 0.00 C ATOM 557 C GLY A 40 -0.224 12.140 5.808 1.00 0.00 C ATOM 558 O GLY A 40 -1.079 12.025 6.687 1.00 0.00 O ATOM 0 H GLY A 40 1.798 13.735 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.488 14.157 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.939 13.919 4.857 1.00 0.00 H new ATOM 562 N PHE A 41 0.528 11.126 5.393 1.00 0.00 N ATOM 563 CA PHE A 41 0.388 9.789 5.959 1.00 0.00 C ATOM 564 C PHE A 41 1.751 9.123 6.123 1.00 0.00 C ATOM 565 O PHE A 41 2.641 9.292 5.290 1.00 0.00 O ATOM 566 CB PHE A 41 -0.510 8.927 5.070 1.00 0.00 C ATOM 567 CG PHE A 41 0.188 8.390 3.854 1.00 0.00 C ATOM 568 CD1 PHE A 41 1.109 7.360 3.965 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.076 8.914 2.599 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.754 6.865 2.847 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.565 8.423 1.477 1.00 0.00 C ATOM 572 CZ PHE A 41 1.481 7.396 1.602 1.00 0.00 C ATOM 0 H PHE A 41 1.240 11.204 4.667 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.071 9.884 6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.895 8.093 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.370 9.518 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.325 6.939 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.792 9.716 2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.471 6.064 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.350 8.841 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.983 7.009 0.727 1.00 0.00 H new ATOM 582 N SER A 42 1.907 8.365 7.204 1.00 0.00 N ATOM 583 CA SER A 42 3.162 7.677 7.480 1.00 0.00 C ATOM 584 C SER A 42 3.071 6.204 7.092 1.00 0.00 C ATOM 585 O SER A 42 2.011 5.718 6.699 1.00 0.00 O ATOM 586 CB SER A 42 3.523 7.804 8.962 1.00 0.00 C ATOM 587 OG SER A 42 4.091 9.071 9.241 1.00 0.00 O ATOM 0 H SER A 42 1.180 8.212 7.903 1.00 0.00 H new ATOM 0 HA SER A 42 3.943 8.145 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.630 7.660 9.571 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.226 7.018 9.237 1.00 0.00 H new ATOM 0 HG SER A 42 4.311 9.128 10.194 1.00 0.00 H new ATOM 593 N VAL A 43 4.192 5.498 7.206 1.00 0.00 N ATOM 594 CA VAL A 43 4.240 4.080 6.868 1.00 0.00 C ATOM 595 C VAL A 43 5.078 3.303 7.877 1.00 0.00 C ATOM 596 O VAL A 43 6.015 3.841 8.467 1.00 0.00 O ATOM 597 CB VAL A 43 4.817 3.859 5.458 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.789 4.219 4.397 1.00 0.00 C ATOM 599 CG2 VAL A 43 6.093 4.666 5.272 1.00 0.00 C ATOM 0 H VAL A 43 5.079 5.885 7.530 1.00 0.00 H new ATOM 0 HA VAL A 43 3.214 3.713 6.894 1.00 0.00 H new ATOM 0 HB VAL A 43 5.063 2.803 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.215 4.056 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.905 3.592 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.508 5.267 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.487 4.498 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.875 5.726 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.832 4.353 6.010 1.00 0.00 H new ATOM 609 N VAL A 44 4.735 2.034 8.071 1.00 0.00 N ATOM 610 CA VAL A 44 5.457 1.181 9.007 1.00 0.00 C ATOM 611 C VAL A 44 6.047 -0.035 8.301 1.00 0.00 C ATOM 612 O VAL A 44 5.382 -0.677 7.489 1.00 0.00 O ATOM 613 CB VAL A 44 4.543 0.703 10.151 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.283 1.834 11.134 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.236 0.158 9.595 1.00 0.00 C ATOM 0 H VAL A 44 3.961 1.574 7.592 1.00 0.00 H new ATOM 0 HA VAL A 44 6.265 1.783 9.424 1.00 0.00 H new ATOM 0 HB VAL A 44 5.048 -0.102 10.685 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.636 1.478 11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.229 2.174 11.556 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.798 2.662 10.616 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.602 -0.175 10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.724 0.941 9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.445 -0.683 8.933 1.00 0.00 H new ATOM 625 N ALA A 45 7.300 -0.346 8.617 1.00 0.00 N ATOM 626 CA ALA A 45 7.979 -1.486 8.014 1.00 0.00 C ATOM 627 C ALA A 45 7.938 -2.699 8.938 1.00 0.00 C ATOM 628 O ALA A 45 8.440 -2.654 10.062 1.00 0.00 O ATOM 629 CB ALA A 45 9.418 -1.126 7.676 1.00 0.00 C ATOM 0 H ALA A 45 7.865 0.176 9.287 1.00 0.00 H new ATOM 0 HA ALA A 45 7.456 -1.744 7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.912 -1.987 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.429 -0.293 6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.945 -0.839 8.586 1.00 0.00 H new ATOM 635 N LEU A 46 7.338 -3.783 8.457 1.00 0.00 N ATOM 636 CA LEU A 46 7.232 -5.009 9.240 1.00 0.00 C ATOM 637 C LEU A 46 7.606 -6.226 8.400 1.00 0.00 C ATOM 638 O LEU A 46 6.963 -6.518 7.391 1.00 0.00 O ATOM 639 CB LEU A 46 5.811 -5.168 9.784 1.00 0.00 C ATOM 640 CG LEU A 46 5.302 -4.034 10.675 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.793 -4.119 10.837 1.00 0.00 C ATOM 642 CD2 LEU A 46 5.989 -4.073 12.032 1.00 0.00 C ATOM 0 H LEU A 46 6.918 -3.837 7.529 1.00 0.00 H new ATOM 0 HA LEU A 46 7.929 -4.939 10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.130 -5.273 8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.762 -6.098 10.351 1.00 0.00 H new ATOM 0 HG LEU A 46 5.542 -3.085 10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.449 -3.304 11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.317 -4.041 9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.529 -5.073 11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.615 -3.259 12.653 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.780 -5.026 12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.065 -3.962 11.898 1.00 0.00 H new ATOM 654 N ARG A 47 8.649 -6.933 8.823 1.00 0.00 N ATOM 655 CA ARG A 47 9.108 -8.119 8.110 1.00 0.00 C ATOM 656 C ARG A 47 8.017 -9.184 8.068 1.00 0.00 C ATOM 657 O ARG A 47 7.552 -9.653 9.107 1.00 0.00 O ATOM 658 CB ARG A 47 10.364 -8.686 8.775 1.00 0.00 C ATOM 659 CG ARG A 47 11.293 -9.403 7.810 1.00 0.00 C ATOM 660 CD ARG A 47 10.696 -10.719 7.337 1.00 0.00 C ATOM 661 NE ARG A 47 10.674 -11.723 8.397 1.00 0.00 N ATOM 662 CZ ARG A 47 11.764 -12.311 8.876 1.00 0.00 C ATOM 663 NH1 ARG A 47 12.958 -11.997 8.392 1.00 0.00 N ATOM 664 NH2 ARG A 47 11.662 -13.215 9.842 1.00 0.00 N ATOM 0 H ARG A 47 9.192 -6.705 9.656 1.00 0.00 H new ATOM 0 HA ARG A 47 9.347 -7.828 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.909 -7.873 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.067 -9.379 9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.492 -8.763 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.250 -9.590 8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.681 -10.548 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.273 -11.096 6.493 1.00 0.00 H new ATOM 0 HE ARG A 47 9.771 -11.987 8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.041 -11.302 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.794 -12.450 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.746 -13.459 10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.500 -13.666 10.209 1.00 0.00 H new ATOM 678 N SER A 48 7.612 -9.562 6.859 1.00 0.00 N ATOM 679 CA SER A 48 6.572 -10.569 6.682 1.00 0.00 C ATOM 680 C SER A 48 7.127 -11.970 6.916 1.00 0.00 C ATOM 681 O SER A 48 8.219 -12.302 6.453 1.00 0.00 O ATOM 682 CB SER A 48 5.975 -10.473 5.276 1.00 0.00 C ATOM 683 OG SER A 48 4.652 -10.982 5.249 1.00 0.00 O ATOM 0 H SER A 48 7.988 -9.186 5.988 1.00 0.00 H new ATOM 0 HA SER A 48 5.789 -10.380 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.975 -9.434 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.597 -11.029 4.574 1.00 0.00 H new ATOM 0 HG SER A 48 4.026 -10.255 5.047 1.00 0.00 H new ATOM 689 N GLN A 49 6.368 -12.788 7.637 1.00 0.00 N ATOM 690 CA GLN A 49 6.784 -14.154 7.934 1.00 0.00 C ATOM 691 C GLN A 49 7.462 -14.791 6.726 1.00 0.00 C ATOM 692 O GLN A 49 8.403 -15.571 6.869 1.00 0.00 O ATOM 693 CB GLN A 49 5.579 -14.995 8.360 1.00 0.00 C ATOM 694 CG GLN A 49 5.113 -14.715 9.779 1.00 0.00 C ATOM 695 CD GLN A 49 4.087 -15.720 10.265 1.00 0.00 C ATOM 696 OE1 GLN A 49 3.714 -16.644 9.541 1.00 0.00 O ATOM 697 NE2 GLN A 49 3.626 -15.546 11.498 1.00 0.00 N ATOM 0 H GLN A 49 5.462 -12.529 8.027 1.00 0.00 H new ATOM 0 HA GLN A 49 7.502 -14.119 8.754 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.754 -14.808 7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.834 -16.051 8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.973 -14.726 10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.686 -13.713 9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.963 -14.767 12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.935 -16.192 11.880 1.00 0.00 H new ATOM 706 N ASN A 50 6.978 -14.453 5.535 1.00 0.00 N ATOM 707 CA ASN A 50 7.538 -14.993 4.301 1.00 0.00 C ATOM 708 C ASN A 50 9.040 -14.734 4.226 1.00 0.00 C ATOM 709 O ASN A 50 9.628 -14.158 5.142 1.00 0.00 O ATOM 710 CB ASN A 50 6.842 -14.374 3.087 1.00 0.00 C ATOM 711 CG ASN A 50 5.533 -15.065 2.757 1.00 0.00 C ATOM 712 OD1 ASN A 50 5.367 -15.618 1.670 1.00 0.00 O ATOM 713 ND2 ASN A 50 4.595 -15.035 3.697 1.00 0.00 N ATOM 0 H ASN A 50 6.200 -13.808 5.398 1.00 0.00 H new ATOM 0 HA ASN A 50 7.372 -16.070 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.654 -13.318 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.506 -14.428 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.693 -15.482 3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.777 -14.565 4.584 1.00 0.00 H new ATOM 720 N LEU A 51 9.654 -15.164 3.129 1.00 0.00 N ATOM 721 CA LEU A 51 11.088 -14.979 2.934 1.00 0.00 C ATOM 722 C LEU A 51 11.484 -13.522 3.152 1.00 0.00 C ATOM 723 O LEU A 51 10.643 -12.679 3.461 1.00 0.00 O ATOM 724 CB LEU A 51 11.492 -15.423 1.527 1.00 0.00 C ATOM 725 CG LEU A 51 11.121 -14.471 0.389 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.738 -13.881 0.617 1.00 0.00 C ATOM 727 CD2 LEU A 51 12.159 -13.366 0.259 1.00 0.00 C ATOM 0 H LEU A 51 9.182 -15.643 2.362 1.00 0.00 H new ATOM 0 HA LEU A 51 11.612 -15.592 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.572 -15.573 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.033 -16.391 1.328 1.00 0.00 H new ATOM 0 HG LEU A 51 11.103 -15.037 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.491 -13.206 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.002 -14.684 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.728 -13.329 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.879 -12.698 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.208 -12.802 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.134 -13.806 0.049 1.00 0.00 H new ATOM 739 N GLY A 52 12.772 -13.233 2.988 1.00 0.00 N ATOM 740 CA GLY A 52 13.256 -11.877 3.169 1.00 0.00 C ATOM 741 C GLY A 52 12.391 -10.853 2.463 1.00 0.00 C ATOM 742 O GLY A 52 12.633 -10.516 1.304 1.00 0.00 O ATOM 0 H GLY A 52 13.488 -13.913 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.291 -11.646 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.277 -11.806 2.794 1.00 0.00 H new ATOM 746 N LYS A 53 11.376 -10.355 3.162 1.00 0.00 N ATOM 747 CA LYS A 53 10.470 -9.363 2.597 1.00 0.00 C ATOM 748 C LYS A 53 9.809 -8.539 3.697 1.00 0.00 C ATOM 749 O LYS A 53 9.650 -9.005 4.825 1.00 0.00 O ATOM 750 CB LYS A 53 9.398 -10.048 1.745 1.00 0.00 C ATOM 751 CG LYS A 53 8.339 -10.767 2.563 1.00 0.00 C ATOM 752 CD LYS A 53 7.006 -10.807 1.836 1.00 0.00 C ATOM 753 CE LYS A 53 7.052 -11.744 0.638 1.00 0.00 C ATOM 754 NZ LYS A 53 5.723 -12.356 0.360 1.00 0.00 N ATOM 0 H LYS A 53 11.161 -10.623 4.122 1.00 0.00 H new ATOM 0 HA LYS A 53 11.054 -8.692 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.914 -9.301 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.878 -10.764 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.670 -11.784 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.216 -10.265 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.225 -11.132 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.741 -9.803 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.389 -11.194 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.783 -12.531 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.800 -13.392 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.033 -12.023 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.407 -12.081 -0.592 1.00 0.00 H new ATOM 768 N VAL A 54 9.425 -7.311 3.362 1.00 0.00 N ATOM 769 CA VAL A 54 8.779 -6.423 4.321 1.00 0.00 C ATOM 770 C VAL A 54 7.397 -6.002 3.835 1.00 0.00 C ATOM 771 O VAL A 54 7.122 -6.003 2.635 1.00 0.00 O ATOM 772 CB VAL A 54 9.627 -5.163 4.578 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.101 -4.403 5.786 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.090 -5.536 4.768 1.00 0.00 C ATOM 0 H VAL A 54 9.550 -6.909 2.433 1.00 0.00 H new ATOM 0 HA VAL A 54 8.679 -6.981 5.252 1.00 0.00 H new ATOM 0 HB VAL A 54 9.552 -4.511 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.712 -3.516 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.068 -4.104 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.145 -5.044 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.675 -4.634 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.186 -6.208 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.458 -6.034 3.871 1.00 0.00 H new ATOM 784 N ASP A 55 6.530 -5.642 4.776 1.00 0.00 N ATOM 785 CA ASP A 55 5.176 -5.216 4.444 1.00 0.00 C ATOM 786 C ASP A 55 4.925 -3.787 4.915 1.00 0.00 C ATOM 787 O ASP A 55 4.905 -3.513 6.115 1.00 0.00 O ATOM 788 CB ASP A 55 4.152 -6.162 5.075 1.00 0.00 C ATOM 789 CG ASP A 55 4.316 -7.592 4.601 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.881 -7.794 3.506 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.881 -8.511 5.327 1.00 0.00 O ATOM 0 H ASP A 55 6.741 -5.637 5.774 1.00 0.00 H new ATOM 0 HA ASP A 55 5.067 -5.246 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.251 -6.128 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.146 -5.816 4.836 1.00 0.00 H new ATOM 796 N ILE A 56 4.734 -2.881 3.962 1.00 0.00 N ATOM 797 CA ILE A 56 4.485 -1.480 4.280 1.00 0.00 C ATOM 798 C ILE A 56 3.001 -1.228 4.526 1.00 0.00 C ATOM 799 O ILE A 56 2.157 -1.566 3.696 1.00 0.00 O ATOM 800 CB ILE A 56 4.971 -0.552 3.151 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.397 -0.920 2.737 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.901 0.902 3.595 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.411 -0.752 3.847 1.00 0.00 C ATOM 0 H ILE A 56 4.747 -3.092 2.964 1.00 0.00 H new ATOM 0 HA ILE A 56 5.045 -1.258 5.189 1.00 0.00 H new ATOM 0 HB ILE A 56 4.318 -0.681 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.412 -1.955 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.692 -0.301 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.248 1.546 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.871 1.157 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.534 1.046 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.399 -1.031 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.425 0.288 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.140 -1.392 4.687 1.00 0.00 H new ATOM 815 N PHE A 57 2.690 -0.631 5.672 1.00 0.00 N ATOM 816 CA PHE A 57 1.308 -0.333 6.029 1.00 0.00 C ATOM 817 C PHE A 57 1.105 1.169 6.210 1.00 0.00 C ATOM 818 O PHE A 57 2.014 1.883 6.634 1.00 0.00 O ATOM 819 CB PHE A 57 0.920 -1.070 7.312 1.00 0.00 C ATOM 820 CG PHE A 57 1.181 -2.548 7.257 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.462 -3.045 7.434 1.00 0.00 C ATOM 822 CD2 PHE A 57 0.146 -3.440 7.029 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.706 -4.405 7.385 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.384 -4.800 6.979 1.00 0.00 C ATOM 825 CZ PHE A 57 1.665 -5.283 7.156 1.00 0.00 C ATOM 0 H PHE A 57 3.377 -0.344 6.369 1.00 0.00 H new ATOM 0 HA PHE A 57 0.667 -0.673 5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.473 -0.642 8.148 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.139 -0.903 7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.280 -2.362 7.612 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.858 -3.068 6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.709 -4.780 7.526 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.432 -5.485 6.801 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.853 -6.346 7.115 1.00 0.00 H new ATOM 835 N VAL A 58 -0.094 1.641 5.884 1.00 0.00 N ATOM 836 CA VAL A 58 -0.417 3.057 6.010 1.00 0.00 C ATOM 837 C VAL A 58 -0.809 3.406 7.442 1.00 0.00 C ATOM 838 O VAL A 58 -1.887 3.038 7.910 1.00 0.00 O ATOM 839 CB VAL A 58 -1.565 3.457 5.064 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.930 4.921 5.257 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.183 3.181 3.618 1.00 0.00 C ATOM 0 H VAL A 58 -0.857 1.064 5.531 1.00 0.00 H new ATOM 0 HA VAL A 58 0.480 3.612 5.736 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.440 2.854 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.743 5.186 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.248 5.084 6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.062 5.544 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.005 3.469 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.294 3.757 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.975 2.118 3.493 1.00 0.00 H new ATOM 851 N LYS A 59 0.073 4.118 8.134 1.00 0.00 N ATOM 852 CA LYS A 59 -0.179 4.519 9.513 1.00 0.00 C ATOM 853 C LYS A 59 -0.181 6.038 9.646 1.00 0.00 C ATOM 854 O LYS A 59 0.259 6.751 8.744 1.00 0.00 O ATOM 855 CB LYS A 59 0.876 3.916 10.443 1.00 0.00 C ATOM 856 CG LYS A 59 1.009 2.409 10.316 1.00 0.00 C ATOM 857 CD LYS A 59 -0.085 1.686 11.083 1.00 0.00 C ATOM 858 CE LYS A 59 -0.016 1.989 12.571 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.918 3.112 12.951 1.00 0.00 N ATOM 0 H LYS A 59 0.970 4.430 7.762 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.162 4.145 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.841 4.377 10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.624 4.164 11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.965 2.126 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.984 2.096 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.060 1.983 10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.008 0.612 10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.288 1.098 13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.009 2.239 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.485 3.659 13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.067 3.731 12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.832 2.731 13.268 1.00 0.00 H new ATOM 873 N ASP A 60 -0.678 6.528 10.777 1.00 0.00 N ATOM 874 CA ASP A 60 -0.734 7.963 11.029 1.00 0.00 C ATOM 875 C ASP A 60 -1.391 8.694 9.862 1.00 0.00 C ATOM 876 O ASP A 60 -0.818 9.627 9.299 1.00 0.00 O ATOM 877 CB ASP A 60 0.671 8.517 11.267 1.00 0.00 C ATOM 878 CG ASP A 60 0.666 9.752 12.146 1.00 0.00 C ATOM 879 OD1 ASP A 60 -0.388 10.416 12.229 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.717 10.056 12.749 1.00 0.00 O ATOM 0 H ASP A 60 -1.048 5.952 11.533 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.336 8.126 11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.288 7.747 11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.130 8.759 10.308 1.00 0.00 H new ATOM 885 N VAL A 61 -2.597 8.264 9.504 1.00 0.00 N ATOM 886 CA VAL A 61 -3.332 8.877 8.405 1.00 0.00 C ATOM 887 C VAL A 61 -3.940 10.211 8.826 1.00 0.00 C ATOM 888 O VAL A 61 -5.115 10.282 9.183 1.00 0.00 O ATOM 889 CB VAL A 61 -4.453 7.953 7.894 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.257 8.641 6.802 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.873 6.639 7.393 1.00 0.00 C ATOM 0 H VAL A 61 -3.085 7.493 9.960 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.616 9.045 7.601 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.126 7.734 8.723 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.044 7.972 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.704 9.552 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.600 8.892 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.679 5.998 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.177 6.836 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.346 6.140 8.207 1.00 0.00 H new ATOM 901 N GLN A 62 -3.131 11.264 8.782 1.00 0.00 N ATOM 902 CA GLN A 62 -3.590 12.596 9.159 1.00 0.00 C ATOM 903 C GLN A 62 -4.930 12.915 8.506 1.00 0.00 C ATOM 904 O GLN A 62 -5.059 12.951 7.282 1.00 0.00 O ATOM 905 CB GLN A 62 -2.552 13.647 8.762 1.00 0.00 C ATOM 906 CG GLN A 62 -1.205 13.459 9.441 1.00 0.00 C ATOM 907 CD GLN A 62 -0.348 14.708 9.393 1.00 0.00 C ATOM 908 OE1 GLN A 62 -0.326 15.422 8.390 1.00 0.00 O ATOM 909 NE2 GLN A 62 0.365 14.980 10.480 1.00 0.00 N ATOM 0 H GLN A 62 -2.155 11.221 8.489 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.721 12.615 10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.412 13.617 7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.938 14.637 9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.363 13.171 10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.672 12.638 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.317 14.361 11.289 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.960 15.808 10.505 1.00 0.00 H new ATOM 918 N PRO A 63 -5.954 13.152 9.340 1.00 0.00 N ATOM 919 CA PRO A 63 -7.303 13.472 8.865 1.00 0.00 C ATOM 920 C PRO A 63 -7.379 14.853 8.223 1.00 0.00 C ATOM 921 O PRO A 63 -8.413 15.240 7.679 1.00 0.00 O ATOM 922 CB PRO A 63 -8.147 13.429 10.142 1.00 0.00 C ATOM 923 CG PRO A 63 -7.186 13.717 11.242 1.00 0.00 C ATOM 924 CD PRO A 63 -5.873 13.125 10.810 1.00 0.00 C ATOM 0 HA PRO A 63 -7.638 12.780 8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.948 14.168 10.112 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.618 12.455 10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.094 14.790 11.409 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.523 13.276 12.180 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.029 13.709 11.177 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.746 12.110 11.187 1.00 0.00 H new ATOM 932 N GLY A 64 -6.277 15.593 8.290 1.00 0.00 N ATOM 933 CA GLY A 64 -6.240 16.924 7.711 1.00 0.00 C ATOM 934 C GLY A 64 -5.215 17.044 6.600 1.00 0.00 C ATOM 935 O GLY A 64 -4.452 18.008 6.552 1.00 0.00 O ATOM 0 H GLY A 64 -5.409 15.295 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.226 17.175 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.012 17.650 8.491 1.00 0.00 H new ATOM 939 N SER A 65 -5.197 16.062 5.705 1.00 0.00 N ATOM 940 CA SER A 65 -4.254 16.059 4.592 1.00 0.00 C ATOM 941 C SER A 65 -4.865 15.389 3.365 1.00 0.00 C ATOM 942 O SER A 65 -5.952 14.815 3.432 1.00 0.00 O ATOM 943 CB SER A 65 -2.964 15.340 4.991 1.00 0.00 C ATOM 944 OG SER A 65 -2.104 16.201 5.717 1.00 0.00 O ATOM 0 H SER A 65 -5.824 15.258 5.728 1.00 0.00 H new ATOM 0 HA SER A 65 -4.022 17.094 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.204 14.466 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.454 14.980 4.098 1.00 0.00 H new ATOM 0 HG SER A 65 -2.624 16.942 6.092 1.00 0.00 H new ATOM 950 N VAL A 66 -4.157 15.468 2.242 1.00 0.00 N ATOM 951 CA VAL A 66 -4.627 14.869 0.999 1.00 0.00 C ATOM 952 C VAL A 66 -5.093 13.435 1.221 1.00 0.00 C ATOM 953 O VAL A 66 -6.197 13.061 0.826 1.00 0.00 O ATOM 954 CB VAL A 66 -3.528 14.879 -0.080 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.347 14.024 0.353 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.084 14.399 -1.412 1.00 0.00 C ATOM 0 H VAL A 66 -3.256 15.941 2.168 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.468 15.472 0.656 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.177 15.903 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.581 14.043 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.934 14.418 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.679 12.998 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.294 14.413 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.463 13.383 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.894 15.057 -1.726 1.00 0.00 H new ATOM 966 N ALA A 67 -4.243 12.634 1.856 1.00 0.00 N ATOM 967 CA ALA A 67 -4.568 11.241 2.133 1.00 0.00 C ATOM 968 C ALA A 67 -6.013 11.096 2.598 1.00 0.00 C ATOM 969 O ALA A 67 -6.804 10.382 1.982 1.00 0.00 O ATOM 970 CB ALA A 67 -3.616 10.675 3.177 1.00 0.00 C ATOM 0 H ALA A 67 -3.324 12.927 2.188 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.454 10.676 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.870 9.634 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.593 10.735 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.703 11.251 4.099 1.00 0.00 H new ATOM 976 N ASP A 68 -6.350 11.776 3.688 1.00 0.00 N ATOM 977 CA ASP A 68 -7.701 11.724 4.235 1.00 0.00 C ATOM 978 C ASP A 68 -8.728 12.140 3.187 1.00 0.00 C ATOM 979 O ASP A 68 -9.491 11.312 2.689 1.00 0.00 O ATOM 980 CB ASP A 68 -7.812 12.628 5.463 1.00 0.00 C ATOM 981 CG ASP A 68 -9.033 12.314 6.305 1.00 0.00 C ATOM 982 OD1 ASP A 68 -9.486 11.150 6.283 1.00 0.00 O ATOM 983 OD2 ASP A 68 -9.535 13.231 6.987 1.00 0.00 O ATOM 0 H ASP A 68 -5.706 12.370 4.211 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.907 10.695 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.916 12.518 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.854 13.669 5.142 1.00 0.00 H new ATOM 988 N ARG A 69 -8.742 13.427 2.858 1.00 0.00 N ATOM 989 CA ARG A 69 -9.677 13.953 1.871 1.00 0.00 C ATOM 990 C ARG A 69 -9.640 13.125 0.590 1.00 0.00 C ATOM 991 O ARG A 69 -10.563 13.177 -0.222 1.00 0.00 O ATOM 992 CB ARG A 69 -9.351 15.414 1.556 1.00 0.00 C ATOM 993 CG ARG A 69 -8.008 15.604 0.869 1.00 0.00 C ATOM 994 CD ARG A 69 -7.629 17.074 0.784 1.00 0.00 C ATOM 995 NE ARG A 69 -8.364 17.769 -0.269 1.00 0.00 N ATOM 996 CZ ARG A 69 -8.438 19.092 -0.363 1.00 0.00 C ATOM 997 NH1 ARG A 69 -7.825 19.859 0.528 1.00 0.00 N ATOM 998 NH2 ARG A 69 -9.126 19.650 -1.351 1.00 0.00 N ATOM 0 H ARG A 69 -8.116 14.125 3.260 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.681 13.894 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.136 15.824 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.360 15.987 2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.238 15.060 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.048 15.179 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.826 17.555 1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.559 17.162 0.598 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.847 17.208 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.295 19.433 1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.884 20.875 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.598 19.063 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.183 20.666 -1.423 1.00 0.00 H new ATOM 1012 N ASP A 70 -8.566 12.362 0.417 1.00 0.00 N ATOM 1013 CA ASP A 70 -8.408 11.522 -0.764 1.00 0.00 C ATOM 1014 C ASP A 70 -9.687 10.742 -1.052 1.00 0.00 C ATOM 1015 O ASP A 70 -10.630 10.767 -0.262 1.00 0.00 O ATOM 1016 CB ASP A 70 -7.238 10.555 -0.576 1.00 0.00 C ATOM 1017 CG ASP A 70 -6.717 10.013 -1.892 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -6.502 10.818 -2.823 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -6.522 8.783 -1.991 1.00 0.00 O ATOM 0 H ASP A 70 -7.792 12.308 1.080 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.200 12.171 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.430 11.065 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.555 9.725 0.056 1.00 0.00 H new ATOM 1024 N GLN A 71 -9.711 10.053 -2.188 1.00 0.00 N ATOM 1025 CA GLN A 71 -10.875 9.267 -2.580 1.00 0.00 C ATOM 1026 C GLN A 71 -11.191 8.203 -1.535 1.00 0.00 C ATOM 1027 O GLN A 71 -12.260 8.215 -0.926 1.00 0.00 O ATOM 1028 CB GLN A 71 -10.638 8.609 -3.940 1.00 0.00 C ATOM 1029 CG GLN A 71 -11.906 8.072 -4.585 1.00 0.00 C ATOM 1030 CD GLN A 71 -12.729 9.159 -5.247 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -12.772 10.296 -4.775 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -13.390 8.815 -6.347 1.00 0.00 N ATOM 0 H GLN A 71 -8.938 10.023 -2.853 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.728 9.941 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.179 9.335 -4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.927 7.792 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.641 7.319 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.511 7.573 -3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.326 7.861 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.961 9.505 -6.835 1.00 0.00 H new ATOM 1041 N ARG A 72 -10.253 7.283 -1.333 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.432 6.209 -0.362 1.00 0.00 C ATOM 1043 C ARG A 72 -9.087 5.744 0.188 1.00 0.00 C ATOM 1044 O ARG A 72 -8.184 5.387 -0.570 1.00 0.00 O ATOM 1045 CB ARG A 72 -11.169 5.031 -1.003 1.00 0.00 C ATOM 1046 CG ARG A 72 -10.999 3.724 -0.247 1.00 0.00 C ATOM 1047 CD ARG A 72 -11.971 3.623 0.918 1.00 0.00 C ATOM 1048 NE ARG A 72 -13.266 3.088 0.506 1.00 0.00 N ATOM 1049 CZ ARG A 72 -14.290 2.922 1.335 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -14.171 3.248 2.615 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -15.437 2.430 0.885 1.00 0.00 N ATOM 0 H ARG A 72 -9.362 7.260 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.029 6.595 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -12.231 5.269 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.810 4.900 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.156 2.886 -0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.977 3.647 0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.545 2.984 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.110 4.609 1.360 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.391 2.828 -0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.291 3.627 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.959 3.119 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.533 2.179 -0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.223 2.303 1.523 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.961 5.751 1.510 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.726 5.329 2.163 1.00 0.00 C ATOM 1067 C LEU A 73 -7.925 5.193 3.669 1.00 0.00 C ATOM 1068 O LEU A 73 -8.203 6.172 4.361 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.606 6.330 1.873 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.187 5.761 1.844 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -4.233 6.739 1.176 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.716 5.430 3.252 1.00 0.00 C ATOM 0 H LEU A 73 -9.698 6.044 2.151 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.447 4.354 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.807 6.800 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.645 7.117 2.627 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.197 4.840 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.228 6.317 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.560 6.925 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.226 7.677 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.704 5.026 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.722 6.335 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.384 4.691 3.695 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.778 3.972 4.171 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.938 3.706 5.596 1.00 0.00 C ATOM 1086 C LYS A 74 -6.608 3.305 6.227 1.00 0.00 C ATOM 1087 O LYS A 74 -5.660 2.952 5.527 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.973 2.600 5.816 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.304 2.869 5.137 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.246 3.644 6.044 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.853 2.749 7.113 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.300 3.529 8.300 1.00 0.00 N ATOM 0 H LYS A 74 -7.548 3.150 3.612 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.286 4.621 6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.570 1.658 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.139 2.477 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.138 3.431 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.766 1.924 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.705 4.463 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.041 4.091 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.701 2.207 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.120 2.004 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.708 2.883 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.486 4.027 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.018 4.223 8.009 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.547 3.362 7.554 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.333 3.004 8.278 1.00 0.00 C ATOM 1108 C GLU A 75 -5.065 1.505 8.183 1.00 0.00 C ATOM 1109 O GLU A 75 -5.967 0.719 7.897 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.447 3.421 9.746 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.151 3.266 10.525 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.328 3.527 12.008 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -5.225 4.317 12.370 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.568 2.941 12.807 1.00 0.00 O ATOM 0 H GLU A 75 -7.323 3.652 8.149 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.498 3.534 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.769 4.461 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.223 2.824 10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.763 2.258 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.406 3.954 10.125 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.817 1.117 8.425 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.429 -0.288 8.366 1.00 0.00 C ATOM 1123 C ASN A 76 -3.608 -0.843 6.956 1.00 0.00 C ATOM 1124 O ASN A 76 -3.958 -2.010 6.777 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.254 -1.109 9.358 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.995 -0.707 10.798 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.871 -0.808 11.289 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -5.037 -0.248 11.480 1.00 0.00 N ATOM 0 H ASN A 76 -3.058 1.755 8.664 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.375 -0.359 8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.314 -0.986 9.134 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.022 -2.167 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.924 0.038 12.452 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.951 -0.182 11.032 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.366 0.000 5.959 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.499 -0.406 4.565 1.00 0.00 C ATOM 1137 C ASP A 77 -2.155 -0.853 3.998 1.00 0.00 C ATOM 1138 O ASP A 77 -1.323 -0.027 3.624 1.00 0.00 O ATOM 1139 CB ASP A 77 -4.061 0.744 3.728 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.567 0.870 3.854 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.111 0.459 4.901 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.201 1.379 2.907 1.00 0.00 O ATOM 0 H ASP A 77 -3.077 0.969 6.090 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.190 -1.248 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.594 1.678 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.799 0.590 2.681 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.950 -2.165 3.940 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.706 -2.721 3.421 1.00 0.00 C ATOM 1149 C GLN A 78 -0.524 -2.368 1.949 1.00 0.00 C ATOM 1150 O GLN A 78 -1.242 -2.875 1.086 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.689 -4.240 3.600 1.00 0.00 C ATOM 1152 CG GLN A 78 0.711 -4.824 3.706 1.00 0.00 C ATOM 1153 CD GLN A 78 0.765 -6.287 3.311 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.249 -7.153 4.019 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.391 -6.571 2.175 1.00 0.00 N ATOM 0 H GLN A 78 -2.629 -2.862 4.246 1.00 0.00 H new ATOM 0 HA GLN A 78 0.120 -2.286 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.250 -4.498 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.204 -4.703 2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.387 -4.254 3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.070 -4.715 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.804 -5.822 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.459 -7.538 1.858 1.00 0.00 H new ATOM 1164 N ILE A 79 0.439 -1.497 1.669 1.00 0.00 N ATOM 1165 CA ILE A 79 0.715 -1.077 0.300 1.00 0.00 C ATOM 1166 C ILE A 79 1.425 -2.179 -0.480 1.00 0.00 C ATOM 1167 O ILE A 79 2.609 -2.442 -0.265 1.00 0.00 O ATOM 1168 CB ILE A 79 1.577 0.198 0.266 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.952 1.287 1.141 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.739 0.690 -1.165 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.693 2.604 1.089 1.00 0.00 C ATOM 0 H ILE A 79 1.041 -1.068 2.371 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.248 -0.867 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 79 2.564 -0.039 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.079 1.447 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.920 0.938 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.351 1.592 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.224 -0.082 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.759 0.913 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.194 3.328 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.717 2.459 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.703 2.976 0.064 1.00 0.00 H new ATOM 1183 N LEU A 80 0.695 -2.818 -1.387 1.00 0.00 N ATOM 1184 CA LEU A 80 1.255 -3.890 -2.202 1.00 0.00 C ATOM 1185 C LEU A 80 2.172 -3.330 -3.284 1.00 0.00 C ATOM 1186 O LEU A 80 3.286 -3.814 -3.479 1.00 0.00 O ATOM 1187 CB LEU A 80 0.133 -4.709 -2.843 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.876 -5.335 -1.879 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.958 -6.078 -2.647 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.174 -6.269 -0.904 1.00 0.00 C ATOM 0 H LEU A 80 -0.286 -2.613 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 80 1.844 -4.537 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.408 -4.066 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.584 -5.506 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.348 -4.535 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.667 -6.517 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.481 -5.383 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.503 -6.868 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.907 -6.705 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.326 -7.064 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.563 -5.708 -0.329 1.00 0.00 H new ATOM 1202 N ALA A 81 1.696 -2.305 -3.984 1.00 0.00 N ATOM 1203 CA ALA A 81 2.475 -1.675 -5.043 1.00 0.00 C ATOM 1204 C ALA A 81 2.364 -0.156 -4.977 1.00 0.00 C ATOM 1205 O ALA A 81 1.368 0.383 -4.493 1.00 0.00 O ATOM 1206 CB ALA A 81 2.020 -2.181 -6.404 1.00 0.00 C ATOM 0 H ALA A 81 0.774 -1.893 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 81 3.522 -1.943 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.610 -1.703 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.158 -3.261 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.966 -1.942 -6.547 1.00 0.00 H new ATOM 1212 N ILE A 82 3.392 0.530 -5.466 1.00 0.00 N ATOM 1213 CA ILE A 82 3.409 1.987 -5.462 1.00 0.00 C ATOM 1214 C ILE A 82 3.824 2.535 -6.823 1.00 0.00 C ATOM 1215 O ILE A 82 4.966 2.368 -7.249 1.00 0.00 O ATOM 1216 CB ILE A 82 4.364 2.537 -4.386 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.914 2.086 -2.995 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.430 4.055 -4.462 1.00 0.00 C ATOM 1219 CD1 ILE A 82 4.944 2.337 -1.916 1.00 0.00 C ATOM 0 H ILE A 82 4.224 0.100 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 82 2.394 2.314 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 82 5.362 2.140 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.992 2.606 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.682 1.021 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.109 4.429 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.793 4.355 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.436 4.471 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.557 1.993 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.859 1.795 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.158 3.404 -1.859 1.00 0.00 H new ATOM 1231 N ASN A 83 2.889 3.193 -7.500 1.00 0.00 N ATOM 1232 CA ASN A 83 3.158 3.768 -8.813 1.00 0.00 C ATOM 1233 C ASN A 83 3.542 2.682 -9.814 1.00 0.00 C ATOM 1234 O ASN A 83 4.500 2.833 -10.573 1.00 0.00 O ATOM 1235 CB ASN A 83 4.276 4.808 -8.718 1.00 0.00 C ATOM 1236 CG ASN A 83 3.954 5.915 -7.733 1.00 0.00 C ATOM 1237 OD1 ASN A 83 2.865 6.488 -7.760 1.00 0.00 O ATOM 1238 ND2 ASN A 83 4.902 6.220 -6.855 1.00 0.00 N ATOM 0 H ASN A 83 1.938 3.341 -7.161 1.00 0.00 H new ATOM 0 HA ASN A 83 2.247 4.254 -9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.201 4.316 -8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.450 5.241 -9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.742 6.955 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.790 5.719 -6.869 1.00 0.00 H new ATOM 1245 N HIS A 84 2.788 1.588 -9.810 1.00 0.00 N ATOM 1246 CA HIS A 84 3.048 0.477 -10.719 1.00 0.00 C ATOM 1247 C HIS A 84 4.345 -0.236 -10.348 1.00 0.00 C ATOM 1248 O HIS A 84 5.145 -0.585 -11.217 1.00 0.00 O ATOM 1249 CB HIS A 84 3.122 0.977 -12.162 1.00 0.00 C ATOM 1250 CG HIS A 84 2.818 -0.081 -13.178 1.00 0.00 C ATOM 1251 ND1 HIS A 84 1.666 -0.089 -13.935 1.00 0.00 N ATOM 1252 CD2 HIS A 84 3.527 -1.168 -13.562 1.00 0.00 C ATOM 1253 CE1 HIS A 84 1.677 -1.137 -14.739 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.796 -1.808 -14.533 1.00 0.00 N ATOM 0 H HIS A 84 1.992 1.447 -9.188 1.00 0.00 H new ATOM 0 HA HIS A 84 2.225 -0.233 -10.630 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.422 1.803 -12.288 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.120 1.374 -12.350 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.488 -1.475 -13.177 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.903 -1.400 -15.445 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.072 -2.663 -15.016 1.00 0.00 H new ATOM 1263 N THR A 85 4.548 -0.448 -9.051 1.00 0.00 N ATOM 1264 CA THR A 85 5.749 -1.117 -8.565 1.00 0.00 C ATOM 1265 C THR A 85 5.481 -1.840 -7.251 1.00 0.00 C ATOM 1266 O THR A 85 5.368 -1.228 -6.189 1.00 0.00 O ATOM 1267 CB THR A 85 6.905 -0.119 -8.363 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.240 0.501 -9.609 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.129 -0.818 -7.793 1.00 0.00 C ATOM 0 H THR A 85 3.896 -0.166 -8.319 1.00 0.00 H new ATOM 0 HA THR A 85 6.036 -1.844 -9.325 1.00 0.00 H new ATOM 0 HB THR A 85 6.579 0.643 -7.655 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.974 1.135 -9.472 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.932 -0.094 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.878 -1.264 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.455 -1.598 -8.480 1.00 0.00 H new ATOM 1277 N PRO A 86 5.377 -3.176 -7.320 1.00 0.00 N ATOM 1278 CA PRO A 86 5.123 -4.012 -6.143 1.00 0.00 C ATOM 1279 C PRO A 86 6.316 -4.056 -5.194 1.00 0.00 C ATOM 1280 O PRO A 86 7.467 -4.103 -5.629 1.00 0.00 O ATOM 1281 CB PRO A 86 4.865 -5.397 -6.741 1.00 0.00 C ATOM 1282 CG PRO A 86 5.583 -5.386 -8.046 1.00 0.00 C ATOM 1283 CD PRO A 86 5.501 -3.973 -8.552 1.00 0.00 C ATOM 0 HA PRO A 86 4.297 -3.630 -5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.241 -6.186 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.799 -5.577 -6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.620 -5.697 -7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.124 -6.080 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.389 -3.698 -9.121 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.644 -3.831 -9.210 1.00 0.00 H new ATOM 1291 N LEU A 87 6.034 -4.040 -3.896 1.00 0.00 N ATOM 1292 CA LEU A 87 7.084 -4.078 -2.884 1.00 0.00 C ATOM 1293 C LEU A 87 7.381 -5.514 -2.462 1.00 0.00 C ATOM 1294 O LEU A 87 7.619 -5.788 -1.286 1.00 0.00 O ATOM 1295 CB LEU A 87 6.675 -3.250 -1.665 1.00 0.00 C ATOM 1296 CG LEU A 87 6.106 -1.861 -1.957 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.571 -1.225 -0.683 1.00 0.00 C ATOM 1298 CD2 LEU A 87 7.165 -0.974 -2.594 1.00 0.00 C ATOM 0 H LEU A 87 5.087 -4.001 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 87 7.989 -3.652 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.932 -3.814 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.546 -3.136 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 87 5.280 -1.968 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.170 -0.237 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.781 -1.851 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.378 -1.131 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.742 0.010 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.012 -0.874 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.501 -1.422 -3.529 1.00 0.00 H new ATOM 1310 N ASP A 88 7.368 -6.424 -3.429 1.00 0.00 N ATOM 1311 CA ASP A 88 7.640 -7.831 -3.158 1.00 0.00 C ATOM 1312 C ASP A 88 9.021 -8.008 -2.535 1.00 0.00 C ATOM 1313 O ASP A 88 9.747 -7.036 -2.328 1.00 0.00 O ATOM 1314 CB ASP A 88 7.539 -8.649 -4.447 1.00 0.00 C ATOM 1315 CG ASP A 88 8.518 -8.183 -5.506 1.00 0.00 C ATOM 1316 OD1 ASP A 88 8.589 -6.960 -5.753 1.00 0.00 O ATOM 1317 OD2 ASP A 88 9.215 -9.040 -6.088 1.00 0.00 O ATOM 0 H ASP A 88 7.172 -6.213 -4.408 1.00 0.00 H new ATOM 0 HA ASP A 88 6.894 -8.190 -2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.724 -9.700 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.524 -8.580 -4.839 1.00 0.00 H new ATOM 1322 N GLN A 89 9.375 -9.254 -2.238 1.00 0.00 N ATOM 1323 CA GLN A 89 10.668 -9.557 -1.637 1.00 0.00 C ATOM 1324 C GLN A 89 11.785 -8.779 -2.326 1.00 0.00 C ATOM 1325 O GLN A 89 12.797 -8.451 -1.709 1.00 0.00 O ATOM 1326 CB GLN A 89 10.953 -11.058 -1.717 1.00 0.00 C ATOM 1327 CG GLN A 89 11.243 -11.548 -3.127 1.00 0.00 C ATOM 1328 CD GLN A 89 12.096 -12.801 -3.144 1.00 0.00 C ATOM 1329 OE1 GLN A 89 11.579 -13.918 -3.107 1.00 0.00 O ATOM 1330 NE2 GLN A 89 13.410 -12.623 -3.202 1.00 0.00 N ATOM 0 H GLN A 89 8.785 -10.069 -2.404 1.00 0.00 H new ATOM 0 HA GLN A 89 10.632 -9.256 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.804 -11.292 -1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.097 -11.604 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.302 -11.747 -3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.750 -10.760 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.796 -11.679 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.034 -13.430 -3.217 1.00 0.00 H new ATOM 1339 N ASN A 90 11.592 -8.488 -3.608 1.00 0.00 N ATOM 1340 CA ASN A 90 12.584 -7.749 -4.381 1.00 0.00 C ATOM 1341 C ASN A 90 12.912 -6.417 -3.714 1.00 0.00 C ATOM 1342 O ASN A 90 14.068 -6.140 -3.393 1.00 0.00 O ATOM 1343 CB ASN A 90 12.075 -7.507 -5.804 1.00 0.00 C ATOM 1344 CG ASN A 90 12.318 -8.695 -6.715 1.00 0.00 C ATOM 1345 OD1 ASN A 90 11.380 -9.266 -7.271 1.00 0.00 O ATOM 1346 ND2 ASN A 90 13.581 -9.073 -6.870 1.00 0.00 N ATOM 0 H ASN A 90 10.759 -8.752 -4.133 1.00 0.00 H new ATOM 0 HA ASN A 90 13.494 -8.348 -4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.008 -7.289 -5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.568 -6.628 -6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.806 -9.867 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 90 14.327 -8.570 -6.389 1.00 0.00 H new ATOM 1353 N ILE A 91 11.887 -5.597 -3.506 1.00 0.00 N ATOM 1354 CA ILE A 91 12.067 -4.295 -2.875 1.00 0.00 C ATOM 1355 C ILE A 91 11.893 -4.389 -1.363 1.00 0.00 C ATOM 1356 O ILE A 91 11.061 -5.149 -0.869 1.00 0.00 O ATOM 1357 CB ILE A 91 11.073 -3.258 -3.431 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.669 -2.550 -4.650 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.702 -2.249 -2.354 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.792 -1.445 -5.196 1.00 0.00 C ATOM 0 H ILE A 91 10.924 -5.811 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 91 13.083 -3.971 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 91 10.166 -3.777 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.639 -2.133 -4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.846 -3.284 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.999 -1.523 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.241 -2.767 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.600 -1.733 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.277 -0.988 -6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.830 -1.860 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.636 -0.690 -4.425 1.00 0.00 H new ATOM 1372 N SER A 92 12.684 -3.609 -0.633 1.00 0.00 N ATOM 1373 CA SER A 92 12.620 -3.605 0.824 1.00 0.00 C ATOM 1374 C SER A 92 11.700 -2.496 1.324 1.00 0.00 C ATOM 1375 O SER A 92 11.173 -1.708 0.537 1.00 0.00 O ATOM 1376 CB SER A 92 14.019 -3.429 1.417 1.00 0.00 C ATOM 1377 OG SER A 92 14.700 -4.670 1.495 1.00 0.00 O ATOM 0 H SER A 92 13.377 -2.972 -1.027 1.00 0.00 H new ATOM 0 HA SER A 92 12.214 -4.563 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.592 -2.734 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.943 -2.989 2.411 1.00 0.00 H new ATOM 0 HG SER A 92 15.592 -4.530 1.876 1.00 0.00 H new ATOM 1383 N HIS A 93 11.511 -2.440 2.639 1.00 0.00 N ATOM 1384 CA HIS A 93 10.655 -1.427 3.246 1.00 0.00 C ATOM 1385 C HIS A 93 11.160 -0.024 2.921 1.00 0.00 C ATOM 1386 O HIS A 93 10.370 0.885 2.665 1.00 0.00 O ATOM 1387 CB HIS A 93 10.594 -1.622 4.761 1.00 0.00 C ATOM 1388 CG HIS A 93 11.639 -0.849 5.507 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.791 -1.424 5.999 1.00 0.00 N ATOM 1390 CD2 HIS A 93 11.700 0.461 5.841 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.516 -0.501 6.606 1.00 0.00 C ATOM 1392 NE2 HIS A 93 12.876 0.652 6.524 1.00 0.00 N ATOM 0 H HIS A 93 11.939 -3.084 3.304 1.00 0.00 H new ATOM 0 HA HIS A 93 9.653 -1.538 2.833 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.609 -1.323 5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.707 -2.682 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 93 10.962 1.215 5.613 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.469 -0.662 7.087 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.202 1.540 6.906 1.00 0.00 H new ATOM 1401 N GLN A 94 12.478 0.143 2.935 1.00 0.00 N ATOM 1402 CA GLN A 94 13.086 1.436 2.644 1.00 0.00 C ATOM 1403 C GLN A 94 12.732 1.899 1.234 1.00 0.00 C ATOM 1404 O GLN A 94 12.086 2.930 1.054 1.00 0.00 O ATOM 1405 CB GLN A 94 14.606 1.355 2.800 1.00 0.00 C ATOM 1406 CG GLN A 94 15.053 0.940 4.193 1.00 0.00 C ATOM 1407 CD GLN A 94 16.562 0.903 4.334 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.216 1.944 4.405 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.123 -0.299 4.377 1.00 0.00 N ATOM 0 H GLN A 94 13.145 -0.600 3.144 1.00 0.00 H new ATOM 0 HA GLN A 94 12.693 2.163 3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.000 0.644 2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.040 2.326 2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.640 1.634 4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.646 -0.045 4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.542 -1.135 4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.135 -0.386 4.472 1.00 0.00 H new ATOM 1418 N GLN A 95 13.161 1.129 0.239 1.00 0.00 N ATOM 1419 CA GLN A 95 12.890 1.462 -1.155 1.00 0.00 C ATOM 1420 C GLN A 95 11.437 1.888 -1.340 1.00 0.00 C ATOM 1421 O GLN A 95 11.147 2.842 -2.060 1.00 0.00 O ATOM 1422 CB GLN A 95 13.202 0.267 -2.056 1.00 0.00 C ATOM 1423 CG GLN A 95 14.636 0.244 -2.562 1.00 0.00 C ATOM 1424 CD GLN A 95 15.050 -1.118 -3.082 1.00 0.00 C ATOM 1425 OE1 GLN A 95 15.081 -1.351 -4.290 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.372 -2.027 -2.169 1.00 0.00 N ATOM 0 H GLN A 95 13.697 0.271 0.372 1.00 0.00 H new ATOM 0 HA GLN A 95 13.533 2.297 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 95 13.005 -0.653 -1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.524 0.280 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.749 0.982 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.307 0.540 -1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.332 -1.790 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.659 -2.962 -2.459 1.00 0.00 H new ATOM 1435 N ALA A 96 10.528 1.173 -0.685 1.00 0.00 N ATOM 1436 CA ALA A 96 9.106 1.477 -0.776 1.00 0.00 C ATOM 1437 C ALA A 96 8.831 2.932 -0.410 1.00 0.00 C ATOM 1438 O ALA A 96 8.145 3.647 -1.141 1.00 0.00 O ATOM 1439 CB ALA A 96 8.307 0.545 0.123 1.00 0.00 C ATOM 0 H ALA A 96 10.752 0.379 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 96 8.793 1.324 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.247 0.784 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.470 -0.487 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.631 0.669 1.156 1.00 0.00 H new ATOM 1445 N ILE A 97 9.370 3.363 0.726 1.00 0.00 N ATOM 1446 CA ILE A 97 9.183 4.733 1.188 1.00 0.00 C ATOM 1447 C ILE A 97 9.685 5.735 0.154 1.00 0.00 C ATOM 1448 O ILE A 97 9.017 6.726 -0.140 1.00 0.00 O ATOM 1449 CB ILE A 97 9.910 4.981 2.523 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.519 3.914 3.548 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.591 6.372 3.050 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.220 4.069 4.879 1.00 0.00 C ATOM 0 H ILE A 97 9.939 2.784 1.343 1.00 0.00 H new ATOM 0 HA ILE A 97 8.112 4.873 1.336 1.00 0.00 H new ATOM 0 HB ILE A 97 10.985 4.917 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.441 3.953 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.746 2.929 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.112 6.532 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.915 7.119 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.517 6.463 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 97 9.895 3.279 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.298 4.000 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 97 9.973 5.040 5.309 1.00 0.00 H new ATOM 1464 N ALA A 98 10.866 5.469 -0.395 1.00 0.00 N ATOM 1465 CA ALA A 98 11.456 6.346 -1.399 1.00 0.00 C ATOM 1466 C ALA A 98 10.447 6.687 -2.491 1.00 0.00 C ATOM 1467 O ALA A 98 10.105 7.853 -2.691 1.00 0.00 O ATOM 1468 CB ALA A 98 12.693 5.698 -2.003 1.00 0.00 C ATOM 0 H ALA A 98 11.433 4.654 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 98 11.748 7.275 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.124 6.363 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.426 5.512 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.417 4.754 -2.473 1.00 0.00 H new ATOM 1474 N LEU A 99 9.976 5.664 -3.194 1.00 0.00 N ATOM 1475 CA LEU A 99 9.006 5.855 -4.267 1.00 0.00 C ATOM 1476 C LEU A 99 8.034 6.981 -3.928 1.00 0.00 C ATOM 1477 O LEU A 99 7.694 7.800 -4.782 1.00 0.00 O ATOM 1478 CB LEU A 99 8.235 4.559 -4.522 1.00 0.00 C ATOM 1479 CG LEU A 99 9.082 3.301 -4.714 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.193 2.074 -4.844 1.00 0.00 C ATOM 1481 CD2 LEU A 99 9.979 3.443 -5.934 1.00 0.00 C ATOM 0 H LEU A 99 10.250 4.693 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 99 9.550 6.129 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.557 4.392 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.617 4.696 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 99 9.715 3.175 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.813 1.188 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.593 1.962 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.534 2.191 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.575 2.538 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.365 3.595 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.641 4.298 -5.801 1.00 0.00 H new ATOM 1493 N LEU A 100 7.592 7.016 -2.676 1.00 0.00 N ATOM 1494 CA LEU A 100 6.660 8.043 -2.222 1.00 0.00 C ATOM 1495 C LEU A 100 7.338 9.408 -2.168 1.00 0.00 C ATOM 1496 O LEU A 100 6.797 10.400 -2.655 1.00 0.00 O ATOM 1497 CB LEU A 100 6.103 7.682 -0.844 1.00 0.00 C ATOM 1498 CG LEU A 100 5.548 6.265 -0.695 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.351 5.921 0.773 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.239 6.123 -1.458 1.00 0.00 C ATOM 0 H LEU A 100 7.864 6.345 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 100 5.838 8.094 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.894 7.820 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.311 8.389 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 100 6.270 5.566 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.955 4.909 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.307 5.983 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.649 6.624 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.858 5.108 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.510 6.832 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.410 6.327 -2.515 1.00 0.00 H new ATOM 1512 N GLN A 101 8.526 9.449 -1.573 1.00 0.00 N ATOM 1513 CA GLN A 101 9.279 10.693 -1.457 1.00 0.00 C ATOM 1514 C GLN A 101 9.782 11.154 -2.821 1.00 0.00 C ATOM 1515 O GLN A 101 10.114 12.325 -3.006 1.00 0.00 O ATOM 1516 CB GLN A 101 10.458 10.512 -0.500 1.00 0.00 C ATOM 1517 CG GLN A 101 10.044 10.114 0.908 1.00 0.00 C ATOM 1518 CD GLN A 101 11.019 10.599 1.962 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.474 11.743 1.925 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.346 9.730 2.912 1.00 0.00 N ATOM 0 H GLN A 101 8.987 8.636 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 101 8.611 11.457 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.127 9.751 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.024 11.442 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 101 9.055 10.519 1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.963 9.029 0.966 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.946 8.792 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.998 10.001 3.649 1.00 0.00 H new ATOM 1529 N GLN A 102 9.835 10.227 -3.771 1.00 0.00 N ATOM 1530 CA GLN A 102 10.299 10.540 -5.118 1.00 0.00 C ATOM 1531 C GLN A 102 9.165 10.406 -6.129 1.00 0.00 C ATOM 1532 O GLN A 102 9.311 9.746 -7.158 1.00 0.00 O ATOM 1533 CB GLN A 102 11.457 9.619 -5.508 1.00 0.00 C ATOM 1534 CG GLN A 102 11.066 8.153 -5.593 1.00 0.00 C ATOM 1535 CD GLN A 102 11.920 7.377 -6.576 1.00 0.00 C ATOM 1536 OE1 GLN A 102 12.008 7.730 -7.753 1.00 0.00 O ATOM 1537 NE2 GLN A 102 12.556 6.313 -6.099 1.00 0.00 N ATOM 0 H GLN A 102 9.563 9.254 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 102 10.647 11.573 -5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.854 9.937 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.260 9.731 -4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.153 7.700 -4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.019 8.077 -5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.455 6.056 -5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.145 5.753 -6.715 1.00 0.00 H new ATOM 1546 N THR A 103 8.034 11.037 -5.829 1.00 0.00 N ATOM 1547 CA THR A 103 6.874 10.987 -6.710 1.00 0.00 C ATOM 1548 C THR A 103 5.929 12.152 -6.441 1.00 0.00 C ATOM 1549 O THR A 103 5.279 12.210 -5.396 1.00 0.00 O ATOM 1550 CB THR A 103 6.101 9.665 -6.547 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.908 8.568 -6.986 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.803 9.696 -7.340 1.00 0.00 C ATOM 0 H THR A 103 7.897 11.589 -4.982 1.00 0.00 H new ATOM 0 HA THR A 103 7.249 11.056 -7.731 1.00 0.00 H new ATOM 0 HB THR A 103 5.861 9.538 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.485 8.272 -6.252 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.274 8.752 -7.210 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.178 10.514 -6.983 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.026 9.844 -8.397 1.00 0.00 H new ATOM 1560 N THR A 104 5.856 13.081 -7.390 1.00 0.00 N ATOM 1561 CA THR A 104 4.990 14.245 -7.255 1.00 0.00 C ATOM 1562 C THR A 104 3.916 14.260 -8.337 1.00 0.00 C ATOM 1563 O THR A 104 4.046 13.596 -9.364 1.00 0.00 O ATOM 1564 CB THR A 104 5.795 15.556 -7.329 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.099 15.362 -6.771 1.00 0.00 O ATOM 1566 CG2 THR A 104 5.080 16.673 -6.585 1.00 0.00 C ATOM 0 H THR A 104 6.387 13.049 -8.260 1.00 0.00 H new ATOM 0 HA THR A 104 4.515 14.173 -6.276 1.00 0.00 H new ATOM 0 HB THR A 104 5.888 15.841 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.605 16.200 -6.823 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.668 17.589 -6.651 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.099 16.838 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.960 16.394 -5.538 1.00 0.00 H new ATOM 1574 N GLY A 105 2.853 15.023 -8.099 1.00 0.00 N ATOM 1575 CA GLY A 105 1.772 15.111 -9.063 1.00 0.00 C ATOM 1576 C GLY A 105 0.704 14.059 -8.834 1.00 0.00 C ATOM 1577 O GLY A 105 -0.453 14.386 -8.573 1.00 0.00 O ATOM 0 H GLY A 105 2.722 15.582 -7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.320 16.101 -9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.177 15.001 -10.069 1.00 0.00 H new ATOM 1581 N SER A 106 1.093 12.792 -8.933 1.00 0.00 N ATOM 1582 CA SER A 106 0.160 11.688 -8.740 1.00 0.00 C ATOM 1583 C SER A 106 0.841 10.516 -8.040 1.00 0.00 C ATOM 1584 O SER A 106 1.977 10.163 -8.358 1.00 0.00 O ATOM 1585 CB SER A 106 -0.409 11.233 -10.085 1.00 0.00 C ATOM 1586 OG SER A 106 -1.345 12.172 -10.587 1.00 0.00 O ATOM 0 H SER A 106 2.048 12.504 -9.146 1.00 0.00 H new ATOM 0 HA SER A 106 -0.656 12.040 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.402 11.105 -10.802 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.890 10.261 -9.970 1.00 0.00 H new ATOM 0 HG SER A 106 -1.693 11.859 -11.448 1.00 0.00 H new ATOM 1592 N LEU A 107 0.139 9.917 -7.085 1.00 0.00 N ATOM 1593 CA LEU A 107 0.674 8.784 -6.338 1.00 0.00 C ATOM 1594 C LEU A 107 -0.349 7.656 -6.252 1.00 0.00 C ATOM 1595 O LEU A 107 -1.279 7.709 -5.446 1.00 0.00 O ATOM 1596 CB LEU A 107 1.087 9.223 -4.932 1.00 0.00 C ATOM 1597 CG LEU A 107 1.763 8.159 -4.068 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.090 7.738 -4.679 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.965 8.673 -2.650 1.00 0.00 C ATOM 0 H LEU A 107 -0.802 10.197 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 107 1.552 8.413 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.764 10.073 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.199 9.577 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 107 1.113 7.285 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.556 6.980 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.919 7.328 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.748 8.604 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.448 7.902 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.594 9.563 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.998 8.922 -2.212 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.170 6.636 -7.085 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.078 5.495 -7.101 1.00 0.00 C ATOM 1613 C ARG A 108 -0.588 4.397 -6.161 1.00 0.00 C ATOM 1614 O ARG A 108 0.365 3.680 -6.470 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.211 4.943 -8.522 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.445 4.080 -8.726 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.178 2.629 -8.355 1.00 0.00 C ATOM 1618 NE ARG A 108 -2.993 1.705 -9.140 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.655 1.275 -10.351 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -1.526 1.682 -10.912 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -3.449 0.434 -11.002 1.00 0.00 N ATOM 0 H ARG A 108 0.595 6.576 -7.757 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.055 5.834 -6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.240 5.775 -9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.324 4.356 -8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -3.265 4.467 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -2.763 4.138 -9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.123 2.403 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.383 2.482 -7.295 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.869 1.372 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.913 2.328 -10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.270 1.350 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.319 0.118 -10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.190 0.104 -11.932 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.245 4.272 -5.014 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.877 3.262 -4.028 1.00 0.00 C ATOM 1637 C LEU A 109 -1.904 2.135 -3.993 1.00 0.00 C ATOM 1638 O LEU A 109 -3.078 2.361 -3.700 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.751 3.896 -2.641 1.00 0.00 C ATOM 1640 CG LEU A 109 0.157 5.122 -2.544 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.082 5.732 -1.153 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.592 4.752 -2.889 1.00 0.00 C ATOM 0 H LEU A 109 -2.035 4.857 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 109 0.086 2.842 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.747 4.179 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.381 3.139 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.189 5.864 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.735 6.604 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.944 6.034 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.402 4.996 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.224 5.637 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.949 3.992 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.633 4.362 -3.906 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.453 0.921 -4.292 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.333 -0.242 -4.291 1.00 0.00 C ATOM 1656 C ILE A 110 -2.237 -1.003 -2.974 1.00 0.00 C ATOM 1657 O ILE A 110 -1.265 -1.717 -2.726 1.00 0.00 O ATOM 1658 CB ILE A 110 -2.000 -1.200 -5.450 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.144 -0.480 -6.793 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.901 -2.424 -5.400 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.561 -1.250 -7.957 1.00 0.00 C ATOM 0 H ILE A 110 -0.484 0.717 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.349 0.131 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.966 -1.529 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.201 -0.293 -6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.655 0.492 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.654 -3.092 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.754 -2.946 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.942 -2.113 -5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.699 -0.680 -8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.497 -1.414 -7.788 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.067 -2.211 -8.047 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.253 -0.847 -2.131 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.285 -1.522 -0.839 1.00 0.00 C ATOM 1675 C VAL A 111 -4.261 -2.693 -0.855 1.00 0.00 C ATOM 1676 O VAL A 111 -5.071 -2.827 -1.772 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.681 -0.553 0.291 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.768 0.664 0.295 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.137 -0.138 0.150 1.00 0.00 C ATOM 0 H VAL A 111 -4.065 -0.259 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.278 -1.895 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.565 -1.067 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.063 1.337 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.737 0.345 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.849 1.183 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.400 0.547 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.283 0.359 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.774 -1.021 0.202 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.179 -3.539 0.167 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.057 -4.698 0.272 1.00 0.00 C ATOM 1691 C ALA A 112 -5.964 -4.590 1.493 1.00 0.00 C ATOM 1692 O ALA A 112 -5.753 -3.744 2.362 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.236 -5.978 0.333 1.00 0.00 C ATOM 0 H ALA A 112 -3.513 -3.443 0.934 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.689 -4.727 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.904 -6.836 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.635 -6.068 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.580 -5.949 1.203 1.00 0.00 H new ATOM 1699 N ARG A 113 -6.974 -5.452 1.552 1.00 0.00 N ATOM 1700 CA ARG A 113 -7.914 -5.452 2.666 1.00 0.00 C ATOM 1701 C ARG A 113 -8.364 -6.872 2.998 1.00 0.00 C ATOM 1702 O ARG A 113 -8.360 -7.751 2.137 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.130 -4.585 2.334 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.771 -3.235 1.735 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.889 -2.224 1.930 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.644 -0.988 1.192 1.00 0.00 N ATOM 1707 CZ ARG A 113 -8.923 0.022 1.667 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -8.379 -0.058 2.874 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -8.745 1.114 0.935 1.00 0.00 N ATOM 0 H ARG A 113 -7.162 -6.159 0.841 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.407 -5.037 3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.770 -5.124 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.712 -4.427 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.857 -2.862 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.565 -3.351 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.833 -2.660 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.992 -1.998 2.991 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.049 -0.895 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.514 -0.896 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.826 0.719 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.162 1.179 0.006 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.191 1.889 1.301 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.749 -7.087 4.252 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.200 -8.401 4.697 1.00 0.00 C ATOM 1725 C GLU A 114 -10.665 -8.625 4.334 1.00 0.00 C ATOM 1726 O GLU A 114 -11.518 -7.759 4.529 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.009 -8.545 6.208 1.00 0.00 C ATOM 1728 CG GLU A 114 -7.629 -9.043 6.602 1.00 0.00 C ATOM 1729 CD GLU A 114 -7.193 -8.535 7.963 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -6.980 -7.313 8.101 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -7.066 -9.362 8.891 1.00 0.00 O ATOM 0 H GLU A 114 -8.758 -6.370 4.977 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.599 -9.155 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.187 -7.580 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.759 -9.234 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.628 -10.133 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.905 -8.727 5.851 1.00 0.00 H new ATOM 1738 N PRO A 115 -10.965 -9.815 3.793 1.00 0.00 N ATOM 1739 CA PRO A 115 -12.326 -10.182 3.392 1.00 0.00 C ATOM 1740 C PRO A 115 -13.250 -10.383 4.589 1.00 0.00 C ATOM 1741 O PRO A 115 -12.815 -10.314 5.738 1.00 0.00 O ATOM 1742 CB PRO A 115 -12.131 -11.500 2.639 1.00 0.00 C ATOM 1743 CG PRO A 115 -10.872 -12.071 3.195 1.00 0.00 C ATOM 1744 CD PRO A 115 -9.998 -10.895 3.532 1.00 0.00 C ATOM 0 HA PRO A 115 -12.799 -9.401 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.974 -12.173 2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.050 -11.334 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.074 -12.673 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.386 -12.724 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.374 -11.095 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.327 -10.644 2.710 1.00 0.00 H new ATOM 1752 N VAL A 116 -14.525 -10.633 4.311 1.00 0.00 N ATOM 1753 CA VAL A 116 -15.510 -10.846 5.365 1.00 0.00 C ATOM 1754 C VAL A 116 -16.502 -11.936 4.978 1.00 0.00 C ATOM 1755 O VAL A 116 -17.157 -11.854 3.938 1.00 0.00 O ATOM 1756 CB VAL A 116 -16.283 -9.552 5.681 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -17.379 -9.820 6.701 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -15.333 -8.472 6.179 1.00 0.00 C ATOM 0 H VAL A 116 -14.901 -10.693 3.365 1.00 0.00 H new ATOM 0 HA VAL A 116 -14.960 -11.158 6.253 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.752 -9.197 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -17.914 -8.894 6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -18.074 -10.559 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -16.935 -10.200 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -15.896 -7.565 6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -14.834 -8.816 7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -14.588 -8.261 5.412 1.00 0.00 H new ATOM 1768 N HIS A 117 -16.610 -12.958 5.822 1.00 0.00 N ATOM 1769 CA HIS A 117 -17.525 -14.065 5.568 1.00 0.00 C ATOM 1770 C HIS A 117 -18.667 -14.069 6.580 1.00 0.00 C ATOM 1771 O HIS A 117 -19.841 -14.065 6.207 1.00 0.00 O ATOM 1772 CB HIS A 117 -16.775 -15.397 5.624 1.00 0.00 C ATOM 1773 CG HIS A 117 -17.464 -16.503 4.887 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -17.383 -17.826 5.269 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -18.252 -16.478 3.787 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -18.090 -18.567 4.434 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -18.628 -17.773 3.525 1.00 0.00 N ATOM 0 H HIS A 117 -16.076 -13.042 6.687 1.00 0.00 H new ATOM 0 HA HIS A 117 -17.946 -13.935 4.571 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -15.777 -15.260 5.208 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -16.648 -15.690 6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -18.533 -15.603 3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -18.208 -19.639 4.486 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -19.225 -18.073 2.754 1.00 0.00 H new ATOM 1786 N THR A 118 -18.316 -14.077 7.862 1.00 0.00 N ATOM 1787 CA THR A 118 -19.311 -14.083 8.927 1.00 0.00 C ATOM 1788 C THR A 118 -20.327 -12.963 8.736 1.00 0.00 C ATOM 1789 O THR A 118 -20.043 -11.956 8.087 1.00 0.00 O ATOM 1790 CB THR A 118 -18.653 -13.933 10.311 1.00 0.00 C ATOM 1791 OG1 THR A 118 -17.932 -12.698 10.380 1.00 0.00 O ATOM 1792 CG2 THR A 118 -17.709 -15.093 10.590 1.00 0.00 C ATOM 0 H THR A 118 -17.350 -14.079 8.188 1.00 0.00 H new ATOM 0 HA THR A 118 -19.821 -15.045 8.878 1.00 0.00 H new ATOM 0 HB THR A 118 -19.440 -13.936 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.518 -12.610 11.264 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.256 -14.965 11.573 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.266 -16.029 10.566 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.927 -15.117 9.831 1.00 0.00 H new ATOM 1800 N LYS A 119 -21.514 -13.143 9.307 1.00 0.00 N ATOM 1801 CA LYS A 119 -22.573 -12.147 9.202 1.00 0.00 C ATOM 1802 C LYS A 119 -22.384 -11.041 10.234 1.00 0.00 C ATOM 1803 O LYS A 119 -22.373 -9.857 9.895 1.00 0.00 O ATOM 1804 CB LYS A 119 -23.941 -12.806 9.390 1.00 0.00 C ATOM 1805 CG LYS A 119 -25.108 -11.859 9.169 1.00 0.00 C ATOM 1806 CD LYS A 119 -26.350 -12.602 8.706 1.00 0.00 C ATOM 1807 CE LYS A 119 -27.438 -11.641 8.252 1.00 0.00 C ATOM 1808 NZ LYS A 119 -28.348 -12.266 7.253 1.00 0.00 N ATOM 0 H LYS A 119 -21.766 -13.970 9.848 1.00 0.00 H new ATOM 0 HA LYS A 119 -22.523 -11.704 8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -24.029 -13.645 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -24.002 -13.215 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -25.326 -11.326 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -24.834 -11.109 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -26.090 -13.272 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -26.728 -13.223 9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -28.017 -11.313 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -26.980 -10.752 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -29.075 -11.579 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -27.800 -12.556 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -28.805 -13.100 7.674 1.00 0.00 H new ATOM 1822 N SER A 120 -22.233 -11.434 11.495 1.00 0.00 N ATOM 1823 CA SER A 120 -22.046 -10.474 12.578 1.00 0.00 C ATOM 1824 C SER A 120 -20.707 -9.756 12.442 1.00 0.00 C ATOM 1825 O SER A 120 -19.682 -10.378 12.163 1.00 0.00 O ATOM 1826 CB SER A 120 -22.124 -11.181 13.932 1.00 0.00 C ATOM 1827 OG SER A 120 -21.113 -12.168 14.051 1.00 0.00 O ATOM 0 H SER A 120 -22.236 -12.410 11.792 1.00 0.00 H new ATOM 0 HA SER A 120 -22.843 -9.733 12.516 1.00 0.00 H new ATOM 0 HB2 SER A 120 -22.019 -10.450 14.734 1.00 0.00 H new ATOM 0 HB3 SER A 120 -23.104 -11.644 14.048 1.00 0.00 H new ATOM 0 HG SER A 120 -20.339 -11.911 13.507 1.00 0.00 H new ATOM 1833 N SER A 121 -20.725 -8.442 12.640 1.00 0.00 N ATOM 1834 CA SER A 121 -19.514 -7.636 12.536 1.00 0.00 C ATOM 1835 C SER A 121 -19.360 -6.727 13.752 1.00 0.00 C ATOM 1836 O SER A 121 -20.319 -6.484 14.486 1.00 0.00 O ATOM 1837 CB SER A 121 -19.543 -6.797 11.258 1.00 0.00 C ATOM 1838 OG SER A 121 -20.750 -6.061 11.158 1.00 0.00 O ATOM 0 H SER A 121 -21.565 -7.913 12.873 1.00 0.00 H new ATOM 0 HA SER A 121 -18.659 -8.312 12.499 1.00 0.00 H new ATOM 0 HB2 SER A 121 -18.694 -6.113 11.249 1.00 0.00 H new ATOM 0 HB3 SER A 121 -19.437 -7.447 10.390 1.00 0.00 H new ATOM 0 HG SER A 121 -20.743 -5.532 10.333 1.00 0.00 H new ATOM 1844 N THR A 122 -18.146 -6.227 13.959 1.00 0.00 N ATOM 1845 CA THR A 122 -17.865 -5.346 15.085 1.00 0.00 C ATOM 1846 C THR A 122 -17.719 -3.899 14.629 1.00 0.00 C ATOM 1847 O THR A 122 -16.664 -3.496 14.138 1.00 0.00 O ATOM 1848 CB THR A 122 -16.581 -5.771 15.824 1.00 0.00 C ATOM 1849 OG1 THR A 122 -16.718 -7.110 16.313 1.00 0.00 O ATOM 1850 CG2 THR A 122 -16.287 -4.830 16.983 1.00 0.00 C ATOM 0 H THR A 122 -17.342 -6.417 13.361 1.00 0.00 H new ATOM 0 HA THR A 122 -18.712 -5.425 15.767 1.00 0.00 H new ATOM 0 HB THR A 122 -15.750 -5.725 15.120 1.00 0.00 H new ATOM 0 HG1 THR A 122 -15.898 -7.373 16.780 1.00 0.00 H new ATOM 0 HG21 THR A 122 -15.376 -5.150 17.489 1.00 0.00 H new ATOM 0 HG22 THR A 122 -16.155 -3.817 16.604 1.00 0.00 H new ATOM 0 HG23 THR A 122 -17.119 -4.848 17.687 1.00 0.00 H new ATOM 1858 N SER A 123 -18.784 -3.121 14.794 1.00 0.00 N ATOM 1859 CA SER A 123 -18.775 -1.718 14.395 1.00 0.00 C ATOM 1860 C SER A 123 -18.434 -0.819 15.579 1.00 0.00 C ATOM 1861 O SER A 123 -18.384 -1.271 16.722 1.00 0.00 O ATOM 1862 CB SER A 123 -20.134 -1.323 13.814 1.00 0.00 C ATOM 1863 OG SER A 123 -21.180 -1.608 14.726 1.00 0.00 O ATOM 0 H SER A 123 -19.664 -3.438 15.201 1.00 0.00 H new ATOM 0 HA SER A 123 -18.009 -1.588 13.630 1.00 0.00 H new ATOM 0 HB2 SER A 123 -20.136 -0.260 13.575 1.00 0.00 H new ATOM 0 HB3 SER A 123 -20.304 -1.860 12.881 1.00 0.00 H new ATOM 0 HG SER A 123 -22.038 -1.345 14.332 1.00 0.00 H new ATOM 1869 N GLY A 124 -18.199 0.459 15.296 1.00 0.00 N ATOM 1870 CA GLY A 124 -17.865 1.402 16.347 1.00 0.00 C ATOM 1871 C GLY A 124 -18.594 2.723 16.193 1.00 0.00 C ATOM 1872 O GLY A 124 -18.854 3.187 15.083 1.00 0.00 O ATOM 0 H GLY A 124 -18.234 0.858 14.358 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -18.111 0.965 17.315 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -16.790 1.581 16.342 1.00 0.00 H new ATOM 1876 N PRO A 125 -18.937 3.349 17.329 1.00 0.00 N ATOM 1877 CA PRO A 125 -19.647 4.632 17.342 1.00 0.00 C ATOM 1878 C PRO A 125 -18.772 5.782 16.857 1.00 0.00 C ATOM 1879 O PRO A 125 -17.546 5.677 16.835 1.00 0.00 O ATOM 1880 CB PRO A 125 -20.010 4.821 18.817 1.00 0.00 C ATOM 1881 CG PRO A 125 -18.991 4.029 19.562 1.00 0.00 C ATOM 1882 CD PRO A 125 -18.660 2.853 18.687 1.00 0.00 C ATOM 0 HA PRO A 125 -20.508 4.629 16.674 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.979 5.873 19.101 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -21.019 4.464 19.025 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.103 4.628 19.764 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.380 3.701 20.526 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -17.619 2.549 18.799 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -19.273 1.986 18.931 1.00 0.00 H new ATOM 1890 N SER A 126 -19.410 6.882 16.468 1.00 0.00 N ATOM 1891 CA SER A 126 -18.690 8.052 15.980 1.00 0.00 C ATOM 1892 C SER A 126 -18.922 9.252 16.892 1.00 0.00 C ATOM 1893 O SER A 126 -19.765 9.211 17.788 1.00 0.00 O ATOM 1894 CB SER A 126 -19.128 8.388 14.553 1.00 0.00 C ATOM 1895 OG SER A 126 -20.430 8.948 14.538 1.00 0.00 O ATOM 0 H SER A 126 -20.425 6.987 16.482 1.00 0.00 H new ATOM 0 HA SER A 126 -17.625 7.819 15.980 1.00 0.00 H new ATOM 0 HB2 SER A 126 -18.422 9.089 14.108 1.00 0.00 H new ATOM 0 HB3 SER A 126 -19.110 7.486 13.942 1.00 0.00 H new ATOM 0 HG SER A 126 -20.686 9.156 13.615 1.00 0.00 H new ATOM 1901 N SER A 127 -18.168 10.321 16.656 1.00 0.00 N ATOM 1902 CA SER A 127 -18.289 11.534 17.458 1.00 0.00 C ATOM 1903 C SER A 127 -19.193 12.552 16.771 1.00 0.00 C ATOM 1904 O SER A 127 -19.442 12.467 15.569 1.00 0.00 O ATOM 1905 CB SER A 127 -16.908 12.146 17.705 1.00 0.00 C ATOM 1906 OG SER A 127 -16.877 12.854 18.931 1.00 0.00 O ATOM 0 H SER A 127 -17.467 10.372 15.917 1.00 0.00 H new ATOM 0 HA SER A 127 -18.737 11.265 18.415 1.00 0.00 H new ATOM 0 HB2 SER A 127 -16.154 11.358 17.717 1.00 0.00 H new ATOM 0 HB3 SER A 127 -16.653 12.819 16.886 1.00 0.00 H new ATOM 0 HG SER A 127 -15.984 13.234 19.067 1.00 0.00 H new ATOM 1912 N GLY A 128 -19.683 13.516 17.544 1.00 0.00 N ATOM 1913 CA GLY A 128 -20.555 14.537 16.995 1.00 0.00 C ATOM 1914 C GLY A 128 -20.155 14.947 15.591 1.00 0.00 C ATOM 1915 O GLY A 128 -20.803 15.794 14.976 1.00 0.00 O ATOM 0 H GLY A 128 -19.491 13.608 18.542 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -21.580 14.167 16.984 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -20.539 15.412 17.644 1.00 0.00 H new TER 1919 GLY A 128