USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 5 ASN : amide:sc= -6.52! C(o=-6.5!,f=-19!) USER MOD Set 1.2: A 7 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0204) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00832) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.401 (180deg=-0.856) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= -2.37! (180deg=-2.5!) USER MOD Single : A 16 SER OG : rot 91:sc= 1.1 USER MOD Single : A 17 GLN : amide:sc= -0.242! C(o=-0.24!,f=-5.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.155 USER MOD Single : A 29 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.62) USER MOD Single : A 30 THR OG1 : rot 99:sc= 0.865 USER MOD Single : A 32 ASN : amide:sc= 0.225! K(o=0.22!,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.0761 (180deg=-0.623) USER MOD Single : A 37 ASN : amide:sc= -0.856 K(o=-0.86,f=-2.5!) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.0218 (180deg=-0.293) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.555 K(o=-0.55,f=-1.4) USER MOD Single : A 42 SER OG : rot 180:sc= -0.37 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0928) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -29:sc= 0.638 USER MOD Single : A 54 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.42) USER MOD Single : A 55 THR OG1 : rot 130:sc= -0.105 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -5.505 -3.680 7.443 1.00 0.00 N ATOM 71 CA ASN A 5 -4.137 -3.464 7.891 1.00 0.00 C ATOM 72 C ASN A 5 -3.162 -4.131 6.940 1.00 0.00 C ATOM 73 O ASN A 5 -3.454 -5.188 6.383 1.00 0.00 O ATOM 74 CB ASN A 5 -3.965 -4.011 9.319 1.00 0.00 C ATOM 75 CG ASN A 5 -2.548 -3.786 9.853 1.00 0.00 C ATOM 76 OD1 ASN A 5 -1.568 -4.021 9.152 1.00 0.00 O ATOM 77 ND2 ASN A 5 -2.378 -3.360 11.064 1.00 0.00 N ATOM 0 HA ASN A 5 -3.927 -2.394 7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.683 -3.527 9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.191 -5.077 9.328 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.435 -3.222 11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.187 -3.162 11.653 1.00 0.00 H new ATOM 84 N LEU A 6 -1.985 -3.560 6.811 1.00 0.00 N ATOM 85 CA LEU A 6 -0.970 -4.128 5.942 1.00 0.00 C ATOM 86 C LEU A 6 -0.586 -5.529 6.384 1.00 0.00 C ATOM 87 O LEU A 6 -0.393 -6.412 5.548 1.00 0.00 O ATOM 88 CB LEU A 6 0.253 -3.217 5.829 1.00 0.00 C ATOM 89 CG LEU A 6 -0.136 -1.948 5.048 1.00 0.00 C ATOM 90 CD1 LEU A 6 1.015 -0.952 5.067 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.460 -2.314 3.594 1.00 0.00 C ATOM 0 H LEU A 6 -1.705 -2.706 7.293 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.402 -4.207 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.617 -2.951 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.064 -3.738 5.321 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.011 -1.500 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.731 -0.058 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.246 -0.682 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.893 -1.402 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.735 -1.414 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.415 -2.769 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.291 -3.020 3.573 1.00 0.00 H new ATOM 103 N LYS A 7 -0.551 -5.771 7.687 1.00 0.00 N ATOM 104 CA LYS A 7 -0.288 -7.130 8.137 1.00 0.00 C ATOM 105 C LYS A 7 -1.353 -8.060 7.581 1.00 0.00 C ATOM 106 O LYS A 7 -1.052 -9.146 7.105 1.00 0.00 O ATOM 107 CB LYS A 7 -0.209 -7.253 9.673 1.00 0.00 C ATOM 108 CG LYS A 7 -1.595 -7.082 10.332 1.00 0.00 C ATOM 109 CD LYS A 7 -1.503 -7.547 11.793 1.00 0.00 C ATOM 110 CE LYS A 7 -2.851 -7.384 12.499 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.056 -5.955 12.831 1.00 0.00 N ATOM 0 H LYS A 7 -0.694 -5.079 8.422 1.00 0.00 H new ATOM 0 HA LYS A 7 0.693 -7.416 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.203 -8.226 9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.475 -6.500 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.910 -6.040 10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.344 -7.665 9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.192 -8.591 11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.741 -6.970 12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.657 -7.740 11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.876 -7.988 13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.705 -5.876 13.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.143 -5.521 13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.464 -5.463 12.011 1.00 0.00 H new ATOM 125 N LEU A 8 -2.588 -7.573 7.541 1.00 0.00 N ATOM 126 CA LEU A 8 -3.675 -8.325 6.938 1.00 0.00 C ATOM 127 C LEU A 8 -3.395 -8.500 5.456 1.00 0.00 C ATOM 128 O LEU A 8 -3.580 -9.581 4.898 1.00 0.00 O ATOM 129 CB LEU A 8 -5.031 -7.647 7.167 1.00 0.00 C ATOM 130 CG LEU A 8 -5.342 -7.612 8.675 1.00 0.00 C ATOM 131 CD1 LEU A 8 -6.678 -6.907 8.915 1.00 0.00 C ATOM 132 CD2 LEU A 8 -5.391 -9.037 9.247 1.00 0.00 C ATOM 0 H LEU A 8 -2.858 -6.664 7.918 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.731 -9.304 7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.015 -6.634 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.814 -8.188 6.636 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.550 -7.061 9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.891 -6.886 9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.624 -5.887 8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.472 -7.445 8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.612 -8.994 10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.169 -9.607 8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.427 -9.523 9.096 1.00 0.00 H new ATOM 144 N ILE A 9 -2.829 -7.464 4.842 1.00 0.00 N ATOM 145 CA ILE A 9 -2.404 -7.564 3.457 1.00 0.00 C ATOM 146 C ILE A 9 -1.335 -8.647 3.376 1.00 0.00 C ATOM 147 O ILE A 9 -1.375 -9.505 2.497 1.00 0.00 O ATOM 148 CB ILE A 9 -1.865 -6.221 2.913 1.00 0.00 C ATOM 149 CG1 ILE A 9 -2.996 -5.182 2.862 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.308 -6.418 1.490 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.114 -5.642 1.920 1.00 0.00 C ATOM 0 H ILE A 9 -2.657 -6.558 5.279 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.262 -7.821 2.836 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.073 -5.870 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.398 -5.026 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.601 -4.224 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.930 -5.468 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.498 -7.147 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.101 -6.778 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.904 -4.891 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.712 -5.774 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.522 -6.589 2.275 1.00 0.00 H new ATOM 163 N ARG A 10 -0.426 -8.656 4.346 1.00 0.00 N ATOM 164 CA ARG A 10 0.578 -9.705 4.392 1.00 0.00 C ATOM 165 C ARG A 10 -0.130 -11.055 4.454 1.00 0.00 C ATOM 166 O ARG A 10 0.247 -11.993 3.751 1.00 0.00 O ATOM 167 CB ARG A 10 1.486 -9.559 5.622 1.00 0.00 C ATOM 168 CG ARG A 10 2.598 -10.612 5.539 1.00 0.00 C ATOM 169 CD ARG A 10 3.481 -10.565 6.789 1.00 0.00 C ATOM 170 NE ARG A 10 2.704 -10.932 7.979 1.00 0.00 N ATOM 171 CZ ARG A 10 2.535 -12.210 8.369 1.00 0.00 C ATOM 172 NH1 ARG A 10 2.982 -13.192 7.633 1.00 0.00 N ATOM 173 NH2 ARG A 10 1.887 -12.472 9.468 1.00 0.00 N ATOM 0 H ARG A 10 -0.366 -7.964 5.093 1.00 0.00 H new ATOM 0 HA ARG A 10 1.199 -9.630 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.915 -8.558 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.908 -9.691 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.159 -11.604 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.206 -10.437 4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.323 -11.247 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.895 -9.564 6.912 1.00 0.00 H new ATOM 0 HE ARG A 10 2.275 -10.190 8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.463 -12.994 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.850 -14.157 7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.509 -11.710 10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.758 -13.439 9.766 1.00 0.00 H new ATOM 187 N GLU A 11 -1.181 -11.131 5.271 1.00 0.00 N ATOM 188 CA GLU A 11 -1.967 -12.354 5.378 1.00 0.00 C ATOM 189 C GLU A 11 -2.601 -12.655 4.025 1.00 0.00 C ATOM 190 O GLU A 11 -2.541 -13.783 3.532 1.00 0.00 O ATOM 191 CB GLU A 11 -3.073 -12.198 6.441 1.00 0.00 C ATOM 192 CG GLU A 11 -2.447 -11.963 7.825 1.00 0.00 C ATOM 193 CD GLU A 11 -1.655 -13.164 8.297 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.889 -14.253 7.811 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.823 -12.986 9.148 1.00 0.00 O ATOM 0 H GLU A 11 -1.503 -10.365 5.863 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.312 -13.172 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.723 -11.363 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.696 -13.092 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.795 -11.091 7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.233 -11.740 8.546 1.00 0.00 H new ATOM 202 N LYS A 12 -3.099 -11.609 3.380 1.00 0.00 N ATOM 203 CA LYS A 12 -3.636 -11.720 2.030 1.00 0.00 C ATOM 204 C LYS A 12 -2.539 -12.162 1.074 1.00 0.00 C ATOM 205 O LYS A 12 -2.766 -12.991 0.192 1.00 0.00 O ATOM 206 CB LYS A 12 -4.197 -10.368 1.575 1.00 0.00 C ATOM 207 CG LYS A 12 -5.502 -10.053 2.326 1.00 0.00 C ATOM 208 CD LYS A 12 -5.927 -8.584 2.086 1.00 0.00 C ATOM 209 CE LYS A 12 -5.760 -8.191 0.610 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.723 -8.938 -0.231 1.00 0.00 N ATOM 0 H LYS A 12 -3.142 -10.669 3.772 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.437 -12.459 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.465 -9.582 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.382 -10.386 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.292 -10.725 1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.365 -10.228 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.966 -8.450 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.327 -7.922 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.918 -7.119 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.742 -8.401 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.623 -8.639 -1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.531 -9.957 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.692 -8.743 0.094 1.00 0.00 H new ATOM 224 N LYS A 13 -1.353 -11.603 1.254 1.00 0.00 N ATOM 225 CA LYS A 13 -0.211 -11.944 0.419 1.00 0.00 C ATOM 226 C LYS A 13 0.365 -13.301 0.814 1.00 0.00 C ATOM 227 O LYS A 13 1.143 -13.906 0.059 1.00 0.00 O ATOM 228 CB LYS A 13 0.869 -10.868 0.549 1.00 0.00 C ATOM 229 CG LYS A 13 0.411 -9.550 -0.083 1.00 0.00 C ATOM 230 CD LYS A 13 0.384 -9.693 -1.607 1.00 0.00 C ATOM 231 CE LYS A 13 0.002 -8.358 -2.235 1.00 0.00 C ATOM 232 NZ LYS A 13 0.115 -8.466 -3.708 1.00 0.00 N ATOM 0 H LYS A 13 -1.155 -10.908 1.974 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.548 -11.999 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.103 -10.708 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.785 -11.208 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.580 -9.284 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.085 -8.743 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.361 -10.012 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.331 -10.462 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.016 -8.088 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.655 -7.568 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.405 -7.684 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.117 -8.418 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.287 -9.372 -4.021 1.00 0.00 H new ATOM 246 N LYS A 14 -0.050 -13.806 1.966 1.00 0.00 N ATOM 247 CA LYS A 14 0.422 -15.099 2.457 1.00 0.00 C ATOM 248 C LYS A 14 1.940 -15.092 2.540 1.00 0.00 C ATOM 249 O LYS A 14 2.611 -16.006 2.048 1.00 0.00 O ATOM 250 CB LYS A 14 -0.042 -16.239 1.535 1.00 0.00 C ATOM 251 CG LYS A 14 -1.450 -15.942 0.996 1.00 0.00 C ATOM 252 CD LYS A 14 -1.878 -17.059 0.034 1.00 0.00 C ATOM 253 CE LYS A 14 -1.032 -17.023 -1.260 1.00 0.00 C ATOM 254 NZ LYS A 14 -0.354 -15.695 -1.425 1.00 0.00 N ATOM 0 H LYS A 14 -0.715 -13.340 2.583 1.00 0.00 H new ATOM 0 HA LYS A 14 0.001 -15.266 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.656 -16.354 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.045 -17.182 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.158 -15.867 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.458 -14.981 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.765 -18.028 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.934 -16.948 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.284 -17.816 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.671 -17.218 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.123 -15.661 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.062 -14.935 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.347 -15.567 -0.668 1.00 0.00 H new ATOM 268 N ILE A 15 2.477 -14.040 3.113 1.00 0.00 N ATOM 269 CA ILE A 15 3.919 -13.880 3.208 1.00 0.00 C ATOM 270 C ILE A 15 4.379 -14.341 4.580 1.00 0.00 C ATOM 271 O ILE A 15 4.007 -13.740 5.594 1.00 0.00 O ATOM 272 CB ILE A 15 4.252 -12.395 3.041 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.690 -11.882 1.724 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.760 -12.156 3.076 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.906 -10.368 1.650 1.00 0.00 C ATOM 0 H ILE A 15 1.939 -13.277 3.523 1.00 0.00 H new ATOM 0 HA ILE A 15 4.417 -14.468 2.437 1.00 0.00 H new ATOM 0 HB ILE A 15 3.798 -11.856 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.183 -12.375 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.628 -12.115 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.963 -11.092 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.160 -12.495 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.235 -12.710 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.507 -9.989 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.393 -9.886 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.972 -10.149 1.706 1.00 0.00 H new ATOM 287 N SER A 16 5.214 -15.366 4.616 1.00 0.00 N ATOM 288 CA SER A 16 5.711 -15.877 5.877 1.00 0.00 C ATOM 289 C SER A 16 6.921 -15.085 6.343 1.00 0.00 C ATOM 290 O SER A 16 7.315 -14.099 5.711 1.00 0.00 O ATOM 291 CB SER A 16 6.039 -17.367 5.770 1.00 0.00 C ATOM 292 OG SER A 16 5.326 -17.938 4.665 1.00 0.00 O ATOM 0 H SER A 16 5.559 -15.856 3.791 1.00 0.00 H new ATOM 0 HA SER A 16 4.925 -15.759 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.112 -17.505 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.767 -17.877 6.694 1.00 0.00 H new ATOM 0 HG SER A 16 5.877 -17.882 3.856 1.00 0.00 H new ATOM 298 N GLN A 17 7.460 -15.470 7.483 1.00 0.00 N ATOM 299 CA GLN A 17 8.555 -14.736 8.091 1.00 0.00 C ATOM 300 C GLN A 17 9.742 -14.615 7.159 1.00 0.00 C ATOM 301 O GLN A 17 10.310 -13.542 7.023 1.00 0.00 O ATOM 302 CB GLN A 17 8.971 -15.405 9.392 1.00 0.00 C ATOM 303 CG GLN A 17 7.739 -15.535 10.283 1.00 0.00 C ATOM 304 CD GLN A 17 7.109 -16.889 10.048 1.00 0.00 C ATOM 305 OE1 GLN A 17 6.273 -17.039 9.152 1.00 0.00 O ATOM 306 NE2 GLN A 17 7.478 -17.885 10.758 1.00 0.00 N ATOM 0 H GLN A 17 7.157 -16.290 8.009 1.00 0.00 H new ATOM 0 HA GLN A 17 8.201 -13.726 8.300 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.400 -16.387 9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.740 -14.816 9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.018 -15.425 11.331 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.025 -14.742 10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.169 -17.756 11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.082 -18.809 10.586 1.00 0.00 H new ATOM 315 N SER A 18 10.106 -15.700 6.492 1.00 0.00 N ATOM 316 CA SER A 18 11.247 -15.645 5.591 1.00 0.00 C ATOM 317 C SER A 18 10.988 -14.602 4.519 1.00 0.00 C ATOM 318 O SER A 18 11.845 -13.756 4.231 1.00 0.00 O ATOM 319 CB SER A 18 11.466 -17.005 4.934 1.00 0.00 C ATOM 320 OG SER A 18 11.444 -18.018 5.937 1.00 0.00 O ATOM 0 H SER A 18 9.642 -16.606 6.554 1.00 0.00 H new ATOM 0 HA SER A 18 12.138 -15.379 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.690 -17.193 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.420 -17.019 4.407 1.00 0.00 H new ATOM 0 HG SER A 18 11.583 -18.894 5.520 1.00 0.00 H new ATOM 326 N GLU A 19 9.788 -14.631 3.972 1.00 0.00 N ATOM 327 CA GLU A 19 9.390 -13.670 2.967 1.00 0.00 C ATOM 328 C GLU A 19 9.235 -12.283 3.588 1.00 0.00 C ATOM 329 O GLU A 19 9.703 -11.288 3.035 1.00 0.00 O ATOM 330 CB GLU A 19 8.076 -14.103 2.317 1.00 0.00 C ATOM 331 CG GLU A 19 8.185 -15.546 1.815 1.00 0.00 C ATOM 332 CD GLU A 19 7.699 -16.492 2.894 1.00 0.00 C ATOM 333 OE1 GLU A 19 8.493 -16.877 3.722 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.536 -16.813 2.883 1.00 0.00 O ATOM 0 H GLU A 19 9.069 -15.315 4.210 1.00 0.00 H new ATOM 0 HA GLU A 19 10.166 -13.625 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.261 -14.021 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.836 -13.439 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.591 -15.674 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.218 -15.775 1.554 1.00 0.00 H new ATOM 341 N LEU A 20 8.628 -12.226 4.773 1.00 0.00 N ATOM 342 CA LEU A 20 8.474 -10.954 5.464 1.00 0.00 C ATOM 343 C LEU A 20 9.846 -10.401 5.790 1.00 0.00 C ATOM 344 O LEU A 20 10.137 -9.232 5.533 1.00 0.00 O ATOM 345 CB LEU A 20 7.626 -11.095 6.740 1.00 0.00 C ATOM 346 CG LEU A 20 7.442 -9.707 7.394 1.00 0.00 C ATOM 347 CD1 LEU A 20 6.744 -8.754 6.415 1.00 0.00 C ATOM 348 CD2 LEU A 20 6.589 -9.835 8.660 1.00 0.00 C ATOM 0 H LEU A 20 8.242 -13.032 5.265 1.00 0.00 H new ATOM 0 HA LEU A 20 7.944 -10.263 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.655 -11.526 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.112 -11.776 7.439 1.00 0.00 H new ATOM 0 HG LEU A 20 8.424 -9.310 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.618 -7.778 6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.350 -8.649 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.767 -9.157 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.464 -8.853 9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.612 -10.242 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.084 -10.502 9.366 1.00 0.00 H new ATOM 360 N ALA A 21 10.726 -11.275 6.252 1.00 0.00 N ATOM 361 CA ALA A 21 12.098 -10.891 6.507 1.00 0.00 C ATOM 362 C ALA A 21 12.697 -10.347 5.228 1.00 0.00 C ATOM 363 O ALA A 21 13.427 -9.359 5.246 1.00 0.00 O ATOM 364 CB ALA A 21 12.921 -12.085 7.009 1.00 0.00 C ATOM 0 H ALA A 21 10.512 -12.251 6.456 1.00 0.00 H new ATOM 0 HA ALA A 21 12.116 -10.126 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.948 -11.768 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.487 -12.463 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.914 -12.874 6.257 1.00 0.00 H new ATOM 370 N ALA A 22 12.311 -10.944 4.105 1.00 0.00 N ATOM 371 CA ALA A 22 12.734 -10.449 2.808 1.00 0.00 C ATOM 372 C ALA A 22 12.194 -9.041 2.602 1.00 0.00 C ATOM 373 O ALA A 22 12.902 -8.163 2.120 1.00 0.00 O ATOM 374 CB ALA A 22 12.246 -11.371 1.678 1.00 0.00 C ATOM 0 H ALA A 22 11.709 -11.767 4.071 1.00 0.00 H new ATOM 0 HA ALA A 22 13.824 -10.431 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.577 -10.976 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.657 -12.370 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.157 -11.421 1.694 1.00 0.00 H new ATOM 380 N LEU A 23 10.949 -8.826 3.002 1.00 0.00 N ATOM 381 CA LEU A 23 10.332 -7.498 2.935 1.00 0.00 C ATOM 382 C LEU A 23 11.042 -6.546 3.892 1.00 0.00 C ATOM 383 O LEU A 23 11.215 -5.360 3.609 1.00 0.00 O ATOM 384 CB LEU A 23 8.846 -7.577 3.293 1.00 0.00 C ATOM 385 CG LEU A 23 8.099 -8.416 2.243 1.00 0.00 C ATOM 386 CD1 LEU A 23 6.640 -8.574 2.654 1.00 0.00 C ATOM 387 CD2 LEU A 23 8.171 -7.738 0.870 1.00 0.00 C ATOM 0 H LEU A 23 10.340 -9.553 3.378 1.00 0.00 H new ATOM 0 HA LEU A 23 10.427 -7.123 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.724 -8.022 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.420 -6.575 3.340 1.00 0.00 H new ATOM 0 HG LEU A 23 8.570 -9.397 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.114 -9.169 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.586 -9.075 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.174 -7.591 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.638 -8.343 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.713 -6.751 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.214 -7.637 0.568 1.00 0.00 H new ATOM 399 N LEU A 24 11.397 -7.081 5.049 1.00 0.00 N ATOM 400 CA LEU A 24 12.033 -6.334 6.138 1.00 0.00 C ATOM 401 C LEU A 24 13.346 -5.636 5.768 1.00 0.00 C ATOM 402 O LEU A 24 14.137 -5.327 6.650 1.00 0.00 O ATOM 403 CB LEU A 24 12.171 -7.172 7.422 1.00 0.00 C ATOM 404 CG LEU A 24 10.786 -7.323 8.090 1.00 0.00 C ATOM 405 CD1 LEU A 24 10.848 -8.337 9.234 1.00 0.00 C ATOM 406 CD2 LEU A 24 10.317 -5.964 8.635 1.00 0.00 C ATOM 0 H LEU A 24 11.251 -8.066 5.268 1.00 0.00 H new ATOM 0 HA LEU A 24 11.337 -5.521 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.582 -8.154 7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.868 -6.692 8.109 1.00 0.00 H new ATOM 0 HG LEU A 24 10.079 -7.680 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.863 -8.430 9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.160 -9.306 8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.565 -7.999 9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.340 -6.078 9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.033 -5.601 9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.245 -5.249 7.816 1.00 0.00 H new ATOM 418 N GLU A 25 13.595 -5.392 4.482 1.00 0.00 N ATOM 419 CA GLU A 25 14.819 -4.684 4.068 1.00 0.00 C ATOM 420 C GLU A 25 14.941 -3.316 4.767 1.00 0.00 C ATOM 421 O GLU A 25 15.919 -2.583 4.559 1.00 0.00 O ATOM 422 CB GLU A 25 14.883 -4.502 2.544 1.00 0.00 C ATOM 423 CG GLU A 25 15.054 -5.866 1.864 1.00 0.00 C ATOM 424 CD GLU A 25 15.122 -5.720 0.351 1.00 0.00 C ATOM 425 OE1 GLU A 25 14.986 -4.622 -0.136 1.00 0.00 O ATOM 426 OE2 GLU A 25 15.337 -6.706 -0.299 1.00 0.00 O ATOM 0 H GLU A 25 12.981 -5.666 3.715 1.00 0.00 H new ATOM 0 HA GLU A 25 15.660 -5.307 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.973 -4.019 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.714 -3.848 2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.963 -6.345 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.222 -6.516 2.133 1.00 0.00 H new ATOM 433 N VAL A 26 13.973 -2.999 5.614 1.00 0.00 N ATOM 434 CA VAL A 26 13.990 -1.784 6.410 1.00 0.00 C ATOM 435 C VAL A 26 14.147 -2.164 7.882 1.00 0.00 C ATOM 436 O VAL A 26 13.891 -3.305 8.259 1.00 0.00 O ATOM 437 CB VAL A 26 12.683 -1.004 6.202 1.00 0.00 C ATOM 438 CG1 VAL A 26 12.627 -0.461 4.770 1.00 0.00 C ATOM 439 CG2 VAL A 26 11.483 -1.938 6.426 1.00 0.00 C ATOM 0 H VAL A 26 13.150 -3.581 5.768 1.00 0.00 H new ATOM 0 HA VAL A 26 14.823 -1.151 6.103 1.00 0.00 H new ATOM 0 HB VAL A 26 12.647 -0.177 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.698 0.092 4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.474 0.203 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.668 -1.291 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.557 -1.382 6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.528 -2.764 5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.512 -2.330 7.443 1.00 0.00 H new ATOM 449 N SER A 27 14.608 -1.241 8.701 1.00 0.00 N ATOM 450 CA SER A 27 14.837 -1.552 10.106 1.00 0.00 C ATOM 451 C SER A 27 13.574 -2.169 10.728 1.00 0.00 C ATOM 452 O SER A 27 12.515 -1.526 10.778 1.00 0.00 O ATOM 453 CB SER A 27 15.223 -0.268 10.838 1.00 0.00 C ATOM 454 OG SER A 27 15.342 0.790 9.877 1.00 0.00 O ATOM 0 H SER A 27 14.830 -0.283 8.429 1.00 0.00 H new ATOM 0 HA SER A 27 15.645 -2.278 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.470 -0.017 11.585 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.165 -0.404 11.369 1.00 0.00 H new ATOM 0 HG SER A 27 15.588 1.621 10.334 1.00 0.00 H new ATOM 460 N ARG A 28 13.686 -3.407 11.206 1.00 0.00 N ATOM 461 CA ARG A 28 12.549 -4.091 11.809 1.00 0.00 C ATOM 462 C ARG A 28 12.158 -3.393 13.103 1.00 0.00 C ATOM 463 O ARG A 28 10.980 -3.276 13.437 1.00 0.00 O ATOM 464 CB ARG A 28 12.872 -5.570 12.100 1.00 0.00 C ATOM 465 CG ARG A 28 13.139 -6.331 10.794 1.00 0.00 C ATOM 466 CD ARG A 28 13.377 -7.819 11.109 1.00 0.00 C ATOM 467 NE ARG A 28 14.622 -8.019 11.850 1.00 0.00 N ATOM 468 CZ ARG A 28 14.949 -9.218 12.358 1.00 0.00 C ATOM 469 NH1 ARG A 28 14.105 -10.215 12.272 1.00 0.00 N ATOM 470 NH2 ARG A 28 16.100 -9.384 12.947 1.00 0.00 N ATOM 0 H ARG A 28 14.548 -3.952 11.187 1.00 0.00 H new ATOM 0 HA ARG A 28 11.721 -4.056 11.102 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.744 -5.636 12.751 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.041 -6.032 12.633 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.292 -6.222 10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.008 -5.912 10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.540 -8.207 11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.410 -8.388 10.180 1.00 0.00 H new ATOM 0 HE ARG A 28 15.255 -7.231 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.201 -10.080 11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.352 -11.127 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.752 -8.603 13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.349 -10.295 13.333 1.00 0.00 H new ATOM 484 N GLN A 29 13.169 -2.949 13.835 1.00 0.00 N ATOM 485 CA GLN A 29 12.977 -2.329 15.144 1.00 0.00 C ATOM 486 C GLN A 29 11.941 -1.216 15.095 1.00 0.00 C ATOM 487 O GLN A 29 11.324 -0.890 16.107 1.00 0.00 O ATOM 488 CB GLN A 29 14.302 -1.801 15.690 1.00 0.00 C ATOM 489 CG GLN A 29 15.285 -2.969 15.857 1.00 0.00 C ATOM 490 CD GLN A 29 14.751 -3.960 16.875 1.00 0.00 C ATOM 491 OE1 GLN A 29 14.061 -4.915 16.509 1.00 0.00 O ATOM 492 NE2 GLN A 29 15.004 -3.791 18.128 1.00 0.00 N ATOM 0 H GLN A 29 14.144 -3.007 13.542 1.00 0.00 H new ATOM 0 HA GLN A 29 12.602 -3.100 15.817 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.717 -1.056 15.011 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.142 -1.306 16.648 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.437 -3.466 14.899 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.256 -2.594 16.179 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.574 -3.002 18.431 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.634 -4.447 18.816 1.00 0.00 H new ATOM 501 N THR A 30 11.725 -0.672 13.920 1.00 0.00 N ATOM 502 CA THR A 30 10.723 0.361 13.732 1.00 0.00 C ATOM 503 C THR A 30 9.345 -0.199 14.106 1.00 0.00 C ATOM 504 O THR A 30 8.540 0.472 14.770 1.00 0.00 O ATOM 505 CB THR A 30 10.751 0.835 12.286 1.00 0.00 C ATOM 506 OG1 THR A 30 12.112 1.013 11.906 1.00 0.00 O ATOM 507 CG2 THR A 30 10.028 2.180 12.169 1.00 0.00 C ATOM 0 H THR A 30 12.232 -0.927 13.072 1.00 0.00 H new ATOM 0 HA THR A 30 10.935 1.215 14.375 1.00 0.00 H new ATOM 0 HB THR A 30 10.259 0.104 11.644 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.418 0.226 11.408 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.050 2.516 11.132 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.993 2.066 12.491 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.525 2.917 12.800 1.00 0.00 H new ATOM 515 N ILE A 31 9.126 -1.465 13.761 1.00 0.00 N ATOM 516 CA ILE A 31 7.902 -2.162 14.112 1.00 0.00 C ATOM 517 C ILE A 31 7.760 -2.180 15.627 1.00 0.00 C ATOM 518 O ILE A 31 6.689 -1.918 16.151 1.00 0.00 O ATOM 519 CB ILE A 31 7.926 -3.606 13.535 1.00 0.00 C ATOM 520 CG1 ILE A 31 7.560 -3.570 12.048 1.00 0.00 C ATOM 521 CG2 ILE A 31 6.915 -4.498 14.266 1.00 0.00 C ATOM 522 CD1 ILE A 31 8.826 -3.579 11.193 1.00 0.00 C ATOM 0 H ILE A 31 9.791 -2.030 13.233 1.00 0.00 H new ATOM 0 HA ILE A 31 7.043 -1.646 13.683 1.00 0.00 H new ATOM 0 HB ILE A 31 8.928 -4.012 13.670 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.938 -4.429 11.798 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.973 -2.677 11.832 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.948 -5.504 13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.165 -4.538 15.326 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.913 -4.087 14.145 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.553 -3.553 10.138 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.433 -2.706 11.432 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.397 -4.485 11.398 1.00 0.00 H new ATOM 534 N ASN A 32 8.865 -2.436 16.322 1.00 0.00 N ATOM 535 CA ASN A 32 8.871 -2.446 17.792 1.00 0.00 C ATOM 536 C ASN A 32 8.050 -1.292 18.361 1.00 0.00 C ATOM 537 O ASN A 32 7.512 -1.391 19.461 1.00 0.00 O ATOM 538 CB ASN A 32 10.307 -2.369 18.329 1.00 0.00 C ATOM 539 CG ASN A 32 10.365 -2.903 19.755 1.00 0.00 C ATOM 540 OD1 ASN A 32 11.210 -3.753 20.069 1.00 0.00 O ATOM 541 ND2 ASN A 32 9.515 -2.473 20.634 1.00 0.00 N ATOM 0 H ASN A 32 9.769 -2.640 15.897 1.00 0.00 H new ATOM 0 HA ASN A 32 8.417 -3.384 18.112 1.00 0.00 H new ATOM 0 HB2 ASN A 32 10.974 -2.947 17.689 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.657 -1.337 18.305 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.540 -2.834 21.587 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.821 -1.773 20.372 1.00 0.00 H new ATOM 548 N GLY A 33 7.904 -0.230 17.590 1.00 0.00 N ATOM 549 CA GLY A 33 7.087 0.897 18.011 1.00 0.00 C ATOM 550 C GLY A 33 5.658 0.453 18.292 1.00 0.00 C ATOM 551 O GLY A 33 4.934 1.105 19.046 1.00 0.00 O ATOM 0 H GLY A 33 8.338 -0.123 16.673 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.515 1.348 18.906 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.089 1.663 17.236 1.00 0.00 H new ATOM 555 N ILE A 34 5.258 -0.678 17.705 1.00 0.00 N ATOM 556 CA ILE A 34 3.911 -1.204 17.878 1.00 0.00 C ATOM 557 C ILE A 34 3.527 -1.298 19.339 1.00 0.00 C ATOM 558 O ILE A 34 2.347 -1.234 19.670 1.00 0.00 O ATOM 559 CB ILE A 34 3.723 -2.546 17.147 1.00 0.00 C ATOM 560 CG1 ILE A 34 4.702 -3.603 17.682 1.00 0.00 C ATOM 561 CG2 ILE A 34 3.929 -2.356 15.636 1.00 0.00 C ATOM 562 CD1 ILE A 34 4.533 -4.894 16.877 1.00 0.00 C ATOM 0 H ILE A 34 5.855 -1.246 17.104 1.00 0.00 H new ATOM 0 HA ILE A 34 3.228 -0.492 17.415 1.00 0.00 H new ATOM 0 HB ILE A 34 2.707 -2.896 17.329 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.727 -3.241 17.602 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.512 -3.791 18.739 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.794 -3.311 15.128 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.202 -1.637 15.257 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.937 -1.985 15.450 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.225 -5.649 17.251 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.510 -5.256 16.980 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.744 -4.698 15.826 1.00 0.00 H new ATOM 574 N GLU A 35 4.522 -1.314 20.219 1.00 0.00 N ATOM 575 CA GLU A 35 4.238 -1.253 21.639 1.00 0.00 C ATOM 576 C GLU A 35 3.268 -0.099 21.877 1.00 0.00 C ATOM 577 O GLU A 35 2.159 -0.297 22.394 1.00 0.00 O ATOM 578 CB GLU A 35 5.536 -0.975 22.409 1.00 0.00 C ATOM 579 CG GLU A 35 6.494 -2.179 22.327 1.00 0.00 C ATOM 580 CD GLU A 35 7.835 -1.836 22.980 1.00 0.00 C ATOM 581 OE1 GLU A 35 8.026 -0.688 23.344 1.00 0.00 O ATOM 582 OE2 GLU A 35 8.663 -2.719 23.099 1.00 0.00 O ATOM 0 H GLU A 35 5.511 -1.368 19.977 1.00 0.00 H new ATOM 0 HA GLU A 35 3.810 -2.196 21.978 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.023 -0.089 22.001 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.305 -0.759 23.452 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.049 -3.041 22.825 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.650 -2.458 21.285 1.00 0.00 H new ATOM 589 N LYS A 36 3.645 1.081 21.374 1.00 0.00 N ATOM 590 CA LYS A 36 2.762 2.247 21.375 1.00 0.00 C ATOM 591 C LYS A 36 2.110 2.467 20.009 1.00 0.00 C ATOM 592 O LYS A 36 1.168 3.242 19.882 1.00 0.00 O ATOM 593 CB LYS A 36 3.496 3.504 21.846 1.00 0.00 C ATOM 594 CG LYS A 36 3.849 3.349 23.335 1.00 0.00 C ATOM 595 CD LYS A 36 4.589 4.596 23.826 1.00 0.00 C ATOM 596 CE LYS A 36 4.984 4.410 25.295 1.00 0.00 C ATOM 597 NZ LYS A 36 3.763 4.177 26.114 1.00 0.00 N ATOM 0 H LYS A 36 4.561 1.252 20.959 1.00 0.00 H new ATOM 0 HA LYS A 36 1.963 2.042 22.087 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.401 3.654 21.258 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.870 4.384 21.697 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.941 3.200 23.920 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.470 2.465 23.481 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.477 4.768 23.218 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.954 5.475 23.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.667 3.567 25.394 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.513 5.293 25.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.847 4.688 27.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.928 4.520 25.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.660 3.159 26.302 1.00 0.00 H new ATOM 611 N ASN A 37 2.646 1.824 18.981 1.00 0.00 N ATOM 612 CA ASN A 37 2.119 1.963 17.620 1.00 0.00 C ATOM 613 C ASN A 37 1.090 0.883 17.330 1.00 0.00 C ATOM 614 O ASN A 37 0.797 0.598 16.179 1.00 0.00 O ATOM 615 CB ASN A 37 3.237 1.919 16.556 1.00 0.00 C ATOM 616 CG ASN A 37 4.078 3.184 16.592 1.00 0.00 C ATOM 617 OD1 ASN A 37 5.308 3.112 16.519 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.501 4.341 16.679 1.00 0.00 N ATOM 0 H ASN A 37 3.448 1.198 19.059 1.00 0.00 H new ATOM 0 HA ASN A 37 1.642 2.942 17.563 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.873 1.051 16.728 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.796 1.800 15.566 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.063 5.192 16.687 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.485 4.401 16.739 1.00 0.00 H new ATOM 625 N LYS A 38 0.602 0.232 18.383 1.00 0.00 N ATOM 626 CA LYS A 38 -0.357 -0.866 18.235 1.00 0.00 C ATOM 627 C LYS A 38 -1.603 -0.395 17.490 1.00 0.00 C ATOM 628 O LYS A 38 -2.430 -1.208 17.054 1.00 0.00 O ATOM 629 CB LYS A 38 -0.729 -1.474 19.600 1.00 0.00 C ATOM 630 CG LYS A 38 -0.928 -2.996 19.452 1.00 0.00 C ATOM 631 CD LYS A 38 0.428 -3.680 19.183 1.00 0.00 C ATOM 632 CE LYS A 38 0.235 -5.201 19.077 1.00 0.00 C ATOM 633 NZ LYS A 38 -0.583 -5.516 17.873 1.00 0.00 N ATOM 0 H LYS A 38 0.853 0.444 19.349 1.00 0.00 H new ATOM 0 HA LYS A 38 0.120 -1.649 17.645 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.057 -1.269 20.327 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.641 -1.013 19.978 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.377 -3.403 20.358 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.618 -3.203 18.634 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.863 -3.295 18.261 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.128 -3.449 19.986 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.203 -5.697 19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.257 -5.579 19.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.477 -6.523 17.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.583 -5.310 18.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.260 -4.936 17.073 1.00 0.00 H new ATOM 647 N TYR A 39 -1.680 0.904 17.262 1.00 0.00 N ATOM 648 CA TYR A 39 -2.716 1.475 16.425 1.00 0.00 C ATOM 649 C TYR A 39 -2.539 0.901 15.027 1.00 0.00 C ATOM 650 O TYR A 39 -1.550 0.207 14.764 1.00 0.00 O ATOM 651 CB TYR A 39 -2.545 3.002 16.344 1.00 0.00 C ATOM 652 CG TYR A 39 -2.606 3.632 17.721 1.00 0.00 C ATOM 653 CD1 TYR A 39 -3.844 3.872 18.331 1.00 0.00 C ATOM 654 CD2 TYR A 39 -1.423 3.986 18.382 1.00 0.00 C ATOM 655 CE1 TYR A 39 -3.896 4.460 19.596 1.00 0.00 C ATOM 656 CE2 TYR A 39 -1.480 4.574 19.647 1.00 0.00 C ATOM 657 CZ TYR A 39 -2.717 4.810 20.256 1.00 0.00 C ATOM 658 OH TYR A 39 -2.772 5.392 21.503 1.00 0.00 O ATOM 0 H TYR A 39 -1.030 1.588 17.650 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.699 1.244 16.836 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.591 3.240 15.874 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.326 3.425 15.712 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.758 3.602 17.823 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.467 3.804 17.913 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.851 4.645 20.065 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.568 4.847 20.156 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.862 5.571 21.821 1.00 0.00 H new ATOM 668 N ASN A 40 -3.396 1.282 14.096 1.00 0.00 N ATOM 669 CA ASN A 40 -3.147 0.888 12.719 1.00 0.00 C ATOM 670 C ASN A 40 -1.816 1.507 12.330 1.00 0.00 C ATOM 671 O ASN A 40 -1.531 2.636 12.742 1.00 0.00 O ATOM 672 CB ASN A 40 -4.256 1.386 11.784 1.00 0.00 C ATOM 673 CG ASN A 40 -4.229 0.598 10.475 1.00 0.00 C ATOM 674 OD1 ASN A 40 -3.406 0.878 9.597 1.00 0.00 O ATOM 675 ND2 ASN A 40 -5.069 -0.376 10.290 1.00 0.00 N ATOM 0 H ASN A 40 -4.235 1.839 14.255 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.128 -0.198 12.631 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.227 1.273 12.266 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.122 2.449 11.581 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.049 -0.909 9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.749 -0.608 11.014 1.00 0.00 H new ATOM 682 N PRO A 41 -0.920 0.746 11.751 1.00 0.00 N ATOM 683 CA PRO A 41 0.489 1.228 11.590 1.00 0.00 C ATOM 684 C PRO A 41 0.544 2.565 10.882 1.00 0.00 C ATOM 685 O PRO A 41 -0.219 2.820 9.947 1.00 0.00 O ATOM 686 CB PRO A 41 1.160 0.144 10.738 1.00 0.00 C ATOM 687 CG PRO A 41 0.328 -1.073 10.956 1.00 0.00 C ATOM 688 CD PRO A 41 -1.104 -0.570 11.108 1.00 0.00 C ATOM 0 HA PRO A 41 0.979 1.381 12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.183 0.425 9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.192 -0.021 11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.414 -1.762 10.116 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.650 -1.614 11.846 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.607 -0.483 10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.705 -1.240 11.722 1.00 0.00 H new ATOM 696 N SER A 42 1.441 3.421 11.335 1.00 0.00 N ATOM 697 CA SER A 42 1.581 4.735 10.758 1.00 0.00 C ATOM 698 C SER A 42 2.031 4.617 9.322 1.00 0.00 C ATOM 699 O SER A 42 2.532 3.570 8.906 1.00 0.00 O ATOM 700 CB SER A 42 2.575 5.571 11.578 1.00 0.00 C ATOM 701 OG SER A 42 3.748 4.804 11.835 1.00 0.00 O ATOM 0 H SER A 42 2.083 3.224 12.103 1.00 0.00 H new ATOM 0 HA SER A 42 0.616 5.242 10.778 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.835 6.480 11.036 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.117 5.880 12.518 1.00 0.00 H new ATOM 0 HG SER A 42 4.381 5.340 12.357 1.00 0.00 H new ATOM 707 N LEU A 43 1.857 5.674 8.563 1.00 0.00 N ATOM 708 CA LEU A 43 2.220 5.643 7.166 1.00 0.00 C ATOM 709 C LEU A 43 3.697 5.362 7.033 1.00 0.00 C ATOM 710 O LEU A 43 4.102 4.525 6.242 1.00 0.00 O ATOM 711 CB LEU A 43 1.847 6.961 6.475 1.00 0.00 C ATOM 712 CG LEU A 43 0.352 6.949 6.073 1.00 0.00 C ATOM 713 CD1 LEU A 43 0.143 6.034 4.860 1.00 0.00 C ATOM 714 CD2 LEU A 43 -0.521 6.455 7.240 1.00 0.00 C ATOM 0 H LEU A 43 1.469 6.560 8.887 1.00 0.00 H new ATOM 0 HA LEU A 43 1.664 4.845 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.045 7.799 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.468 7.105 5.591 1.00 0.00 H new ATOM 0 HG LEU A 43 0.059 7.968 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.911 6.031 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.737 6.399 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.455 5.020 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.568 6.454 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.222 5.443 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.392 7.117 8.096 1.00 0.00 H new ATOM 726 N GLN A 44 4.483 5.958 7.904 1.00 0.00 N ATOM 727 CA GLN A 44 5.908 5.690 7.906 1.00 0.00 C ATOM 728 C GLN A 44 6.157 4.201 8.138 1.00 0.00 C ATOM 729 O GLN A 44 6.885 3.566 7.379 1.00 0.00 O ATOM 730 CB GLN A 44 6.591 6.513 8.996 1.00 0.00 C ATOM 731 CG GLN A 44 6.502 8.001 8.635 1.00 0.00 C ATOM 732 CD GLN A 44 7.091 8.841 9.754 1.00 0.00 C ATOM 733 OE1 GLN A 44 8.168 8.525 10.274 1.00 0.00 O ATOM 734 NE2 GLN A 44 6.462 9.890 10.159 1.00 0.00 N ATOM 0 H GLN A 44 4.167 6.622 8.611 1.00 0.00 H new ATOM 0 HA GLN A 44 6.325 5.971 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.114 6.331 9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.634 6.212 9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.038 8.191 7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.462 8.282 8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.574 10.150 9.730 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.852 10.461 10.909 1.00 0.00 H new ATOM 743 N LEU A 45 5.455 3.620 9.107 1.00 0.00 N ATOM 744 CA LEU A 45 5.537 2.177 9.315 1.00 0.00 C ATOM 745 C LEU A 45 4.985 1.432 8.102 1.00 0.00 C ATOM 746 O LEU A 45 5.550 0.422 7.666 1.00 0.00 O ATOM 747 CB LEU A 45 4.748 1.750 10.568 1.00 0.00 C ATOM 748 CG LEU A 45 5.443 2.249 11.848 1.00 0.00 C ATOM 749 CD1 LEU A 45 4.567 1.930 13.066 1.00 0.00 C ATOM 750 CD2 LEU A 45 6.791 1.546 12.010 1.00 0.00 C ATOM 0 H LEU A 45 4.835 4.114 9.749 1.00 0.00 H new ATOM 0 HA LEU A 45 6.588 1.925 9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.735 2.150 10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.661 0.664 10.596 1.00 0.00 H new ATOM 0 HG LEU A 45 5.596 3.326 11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.060 2.284 13.971 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.602 2.427 12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.415 0.853 13.133 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.280 1.902 12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.634 0.470 12.081 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.421 1.765 11.148 1.00 0.00 H new ATOM 762 N ALA A 46 3.848 1.907 7.600 1.00 0.00 N ATOM 763 CA ALA A 46 3.156 1.258 6.492 1.00 0.00 C ATOM 764 C ALA A 46 3.925 1.372 5.186 1.00 0.00 C ATOM 765 O ALA A 46 3.982 0.421 4.409 1.00 0.00 O ATOM 766 CB ALA A 46 1.752 1.849 6.321 1.00 0.00 C ATOM 0 H ALA A 46 3.384 2.746 7.947 1.00 0.00 H new ATOM 0 HA ALA A 46 3.081 0.199 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.248 1.355 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.179 1.697 7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.829 2.917 6.115 1.00 0.00 H new ATOM 772 N LEU A 47 4.480 2.545 4.932 1.00 0.00 N ATOM 773 CA LEU A 47 5.150 2.817 3.667 1.00 0.00 C ATOM 774 C LEU A 47 6.324 1.898 3.456 1.00 0.00 C ATOM 775 O LEU A 47 6.567 1.445 2.336 1.00 0.00 O ATOM 776 CB LEU A 47 5.617 4.280 3.609 1.00 0.00 C ATOM 777 CG LEU A 47 4.401 5.217 3.466 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.831 6.651 3.755 1.00 0.00 C ATOM 779 CD2 LEU A 47 3.883 5.159 2.026 1.00 0.00 C ATOM 0 H LEU A 47 4.481 3.328 5.586 1.00 0.00 H new ATOM 0 HA LEU A 47 4.429 2.638 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.174 4.529 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.296 4.421 2.768 1.00 0.00 H new ATOM 0 HG LEU A 47 3.624 4.904 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.973 7.315 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.223 6.716 4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.605 6.948 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.023 5.821 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.671 5.477 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.586 4.138 1.787 1.00 0.00 H new ATOM 791 N LYS A 48 7.081 1.652 4.504 1.00 0.00 N ATOM 792 CA LYS A 48 8.278 0.851 4.358 1.00 0.00 C ATOM 793 C LYS A 48 7.910 -0.534 3.833 1.00 0.00 C ATOM 794 O LYS A 48 8.417 -0.962 2.794 1.00 0.00 O ATOM 795 CB LYS A 48 8.966 0.718 5.717 1.00 0.00 C ATOM 796 CG LYS A 48 9.438 2.102 6.191 1.00 0.00 C ATOM 797 CD LYS A 48 10.056 1.984 7.589 1.00 0.00 C ATOM 798 CE LYS A 48 10.392 3.378 8.137 1.00 0.00 C ATOM 799 NZ LYS A 48 11.505 3.975 7.354 1.00 0.00 N ATOM 0 H LYS A 48 6.895 1.987 5.449 1.00 0.00 H new ATOM 0 HA LYS A 48 8.954 1.333 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.277 0.288 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.815 0.039 5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.170 2.507 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.598 2.797 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.362 1.478 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.959 1.375 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.513 4.021 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.672 3.307 9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.829 4.846 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.293 3.298 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.173 4.199 6.394 1.00 0.00 H new ATOM 813 N ILE A 49 6.934 -1.174 4.472 1.00 0.00 N ATOM 814 CA ILE A 49 6.395 -2.426 3.961 1.00 0.00 C ATOM 815 C ILE A 49 5.568 -2.221 2.681 1.00 0.00 C ATOM 816 O ILE A 49 5.692 -2.987 1.716 1.00 0.00 O ATOM 817 CB ILE A 49 5.621 -3.200 5.042 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.604 -3.684 6.119 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.919 -4.412 4.424 1.00 0.00 C ATOM 820 CD1 ILE A 49 5.830 -4.338 7.264 1.00 0.00 C ATOM 0 H ILE A 49 6.505 -0.848 5.338 1.00 0.00 H new ATOM 0 HA ILE A 49 7.245 -3.048 3.680 1.00 0.00 H new ATOM 0 HB ILE A 49 4.874 -2.541 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.308 -4.396 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.189 -2.845 6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.375 -4.952 5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.221 -4.076 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.661 -5.072 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.529 -4.681 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.144 -3.612 7.700 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.265 -5.188 6.882 1.00 0.00 H new ATOM 832 N ALA A 50 4.709 -1.193 2.686 1.00 0.00 N ATOM 833 CA ALA A 50 3.826 -0.926 1.551 1.00 0.00 C ATOM 834 C ALA A 50 4.621 -0.685 0.291 1.00 0.00 C ATOM 835 O ALA A 50 4.142 -0.935 -0.813 1.00 0.00 O ATOM 836 CB ALA A 50 2.911 0.262 1.827 1.00 0.00 C ATOM 0 H ALA A 50 4.609 -0.537 3.461 1.00 0.00 H new ATOM 0 HA ALA A 50 3.206 -1.811 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.268 0.434 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.296 0.052 2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.514 1.151 2.013 1.00 0.00 H new ATOM 842 N TYR A 51 5.839 -0.209 0.459 1.00 0.00 N ATOM 843 CA TYR A 51 6.725 0.024 -0.662 1.00 0.00 C ATOM 844 C TYR A 51 6.940 -1.289 -1.386 1.00 0.00 C ATOM 845 O TYR A 51 6.806 -1.374 -2.612 1.00 0.00 O ATOM 846 CB TYR A 51 8.068 0.554 -0.137 1.00 0.00 C ATOM 847 CG TYR A 51 9.059 0.729 -1.266 1.00 0.00 C ATOM 848 CD1 TYR A 51 8.991 1.857 -2.085 1.00 0.00 C ATOM 849 CD2 TYR A 51 10.051 -0.233 -1.483 1.00 0.00 C ATOM 850 CE1 TYR A 51 9.911 2.027 -3.119 1.00 0.00 C ATOM 851 CE2 TYR A 51 10.972 -0.063 -2.517 1.00 0.00 C ATOM 852 CZ TYR A 51 10.901 1.070 -3.336 1.00 0.00 C ATOM 853 OH TYR A 51 11.805 1.241 -4.359 1.00 0.00 O ATOM 0 H TYR A 51 6.239 0.025 1.368 1.00 0.00 H new ATOM 0 HA TYR A 51 6.292 0.755 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.914 1.508 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.472 -0.137 0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.225 2.599 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.104 -1.107 -0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.856 2.900 -3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.739 -0.805 -2.685 1.00 0.00 H new ATOM 0 HH TYR A 51 12.429 0.486 -4.374 1.00 0.00 H new ATOM 863 N TYR A 52 7.238 -2.322 -0.616 1.00 0.00 N ATOM 864 CA TYR A 52 7.412 -3.657 -1.165 1.00 0.00 C ATOM 865 C TYR A 52 6.089 -4.284 -1.594 1.00 0.00 C ATOM 866 O TYR A 52 6.026 -4.978 -2.614 1.00 0.00 O ATOM 867 CB TYR A 52 8.149 -4.568 -0.186 1.00 0.00 C ATOM 868 CG TYR A 52 9.578 -4.093 -0.061 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.453 -4.243 -1.138 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.023 -3.493 1.121 1.00 0.00 C ATOM 871 CE1 TYR A 52 11.766 -3.799 -1.039 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.343 -3.042 1.223 1.00 0.00 C ATOM 873 CZ TYR A 52 12.214 -3.197 0.139 1.00 0.00 C ATOM 874 OH TYR A 52 13.516 -2.750 0.227 1.00 0.00 O ATOM 0 H TYR A 52 7.365 -2.262 0.394 1.00 0.00 H new ATOM 0 HA TYR A 52 8.024 -3.548 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.659 -4.551 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.123 -5.599 -0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.109 -4.706 -2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.347 -3.378 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.441 -3.920 -1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.688 -2.576 2.134 1.00 0.00 H new ATOM 0 HH TYR A 52 14.089 -3.297 -0.349 1.00 0.00 H new ATOM 884 N LEU A 53 5.042 -4.098 -0.788 1.00 0.00 N ATOM 885 CA LEU A 53 3.754 -4.734 -1.084 1.00 0.00 C ATOM 886 C LEU A 53 3.098 -4.101 -2.307 1.00 0.00 C ATOM 887 O LEU A 53 3.063 -2.876 -2.451 1.00 0.00 O ATOM 888 CB LEU A 53 2.781 -4.647 0.112 1.00 0.00 C ATOM 889 CG LEU A 53 3.359 -5.343 1.365 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.365 -5.211 2.521 1.00 0.00 C ATOM 891 CD2 LEU A 53 3.597 -6.831 1.099 1.00 0.00 C ATOM 0 H LEU A 53 5.056 -3.526 0.056 1.00 0.00 H new ATOM 0 HA LEU A 53 3.965 -5.784 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.574 -3.601 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.831 -5.109 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 53 4.307 -4.867 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.770 -5.701 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.195 -4.156 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.421 -5.682 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.004 -7.300 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.653 -7.309 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.303 -6.945 0.277 1.00 0.00 H new ATOM 903 N ASN A 54 2.492 -4.934 -3.128 1.00 0.00 N ATOM 904 CA ASN A 54 1.768 -4.475 -4.304 1.00 0.00 C ATOM 905 C ASN A 54 0.392 -3.983 -3.902 1.00 0.00 C ATOM 906 O ASN A 54 -0.613 -4.659 -4.129 1.00 0.00 O ATOM 907 CB ASN A 54 1.645 -5.624 -5.317 1.00 0.00 C ATOM 908 CG ASN A 54 0.738 -5.229 -6.475 1.00 0.00 C ATOM 909 OD1 ASN A 54 0.900 -4.156 -7.059 1.00 0.00 O ATOM 910 ND2 ASN A 54 -0.218 -6.030 -6.839 1.00 0.00 N ATOM 0 H ASN A 54 2.485 -5.946 -3.003 1.00 0.00 H new ATOM 0 HA ASN A 54 2.314 -3.652 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.632 -5.888 -5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.246 -6.510 -4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.835 -5.771 -7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.351 -6.918 -6.355 1.00 0.00 H new ATOM 917 N THR A 55 0.357 -2.838 -3.250 1.00 0.00 N ATOM 918 CA THR A 55 -0.890 -2.283 -2.750 1.00 0.00 C ATOM 919 C THR A 55 -0.731 -0.784 -2.491 1.00 0.00 C ATOM 920 O THR A 55 0.059 -0.383 -1.630 1.00 0.00 O ATOM 921 CB THR A 55 -1.281 -3.002 -1.443 1.00 0.00 C ATOM 922 OG1 THR A 55 -0.250 -3.924 -1.081 1.00 0.00 O ATOM 923 CG2 THR A 55 -2.596 -3.763 -1.628 1.00 0.00 C ATOM 0 H THR A 55 1.181 -2.270 -3.052 1.00 0.00 H new ATOM 0 HA THR A 55 -1.673 -2.429 -3.494 1.00 0.00 H new ATOM 0 HB THR A 55 -1.408 -2.258 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.002 -3.786 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.860 -4.266 -0.697 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.386 -3.063 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.480 -4.503 -2.420 1.00 0.00 H new ATOM 931 N PRO A 56 -1.425 0.051 -3.228 1.00 0.00 N ATOM 932 CA PRO A 56 -1.308 1.527 -3.025 1.00 0.00 C ATOM 933 C PRO A 56 -1.744 1.915 -1.615 1.00 0.00 C ATOM 934 O PRO A 56 -2.770 1.440 -1.124 1.00 0.00 O ATOM 935 CB PRO A 56 -2.276 2.118 -4.064 1.00 0.00 C ATOM 936 CG PRO A 56 -2.456 1.036 -5.074 1.00 0.00 C ATOM 937 CD PRO A 56 -2.410 -0.260 -4.279 1.00 0.00 C ATOM 0 HA PRO A 56 -0.286 1.886 -3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.226 2.395 -3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.866 3.020 -4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.405 1.142 -5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.668 1.065 -5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.384 -0.515 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.096 -1.103 -4.894 1.00 0.00 H new ATOM 945 N LEU A 57 -1.044 2.859 -1.025 1.00 0.00 N ATOM 946 CA LEU A 57 -1.409 3.357 0.288 1.00 0.00 C ATOM 947 C LEU A 57 -2.778 3.984 0.220 1.00 0.00 C ATOM 948 O LEU A 57 -3.567 3.878 1.147 1.00 0.00 O ATOM 949 CB LEU A 57 -0.395 4.393 0.785 1.00 0.00 C ATOM 950 CG LEU A 57 0.840 3.695 1.370 1.00 0.00 C ATOM 951 CD1 LEU A 57 0.471 2.940 2.654 1.00 0.00 C ATOM 952 CD2 LEU A 57 1.427 2.720 0.347 1.00 0.00 C ATOM 0 H LEU A 57 -0.218 3.299 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.415 2.521 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.097 5.044 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.855 5.027 1.543 1.00 0.00 H new ATOM 0 HG LEU A 57 1.585 4.454 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.358 2.451 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.079 3.643 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.287 2.190 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.303 2.230 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.680 1.969 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.717 3.266 -0.551 1.00 0.00 H new ATOM 964 N GLU A 58 -3.030 4.672 -0.877 1.00 0.00 N ATOM 965 CA GLU A 58 -4.274 5.386 -1.071 1.00 0.00 C ATOM 966 C GLU A 58 -5.456 4.454 -0.856 1.00 0.00 C ATOM 967 O GLU A 58 -6.346 4.748 -0.066 1.00 0.00 O ATOM 968 CB GLU A 58 -4.307 5.913 -2.502 1.00 0.00 C ATOM 969 CG GLU A 58 -3.205 6.968 -2.689 1.00 0.00 C ATOM 970 CD GLU A 58 -3.079 7.361 -4.149 1.00 0.00 C ATOM 971 OE1 GLU A 58 -3.875 6.906 -4.946 1.00 0.00 O ATOM 972 OE2 GLU A 58 -2.177 8.101 -4.458 1.00 0.00 O ATOM 0 H GLU A 58 -2.378 4.751 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.339 6.206 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.163 5.093 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.282 6.349 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.433 7.849 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.254 6.575 -2.330 1.00 0.00 H new ATOM 979 N ASP A 59 -5.430 3.302 -1.516 1.00 0.00 N ATOM 980 CA ASP A 59 -6.478 2.298 -1.328 1.00 0.00 C ATOM 981 C ASP A 59 -6.409 1.723 0.076 1.00 0.00 C ATOM 982 O ASP A 59 -7.425 1.485 0.725 1.00 0.00 O ATOM 983 CB ASP A 59 -6.332 1.166 -2.343 1.00 0.00 C ATOM 984 CG ASP A 59 -7.562 0.292 -2.302 1.00 0.00 C ATOM 985 OD1 ASP A 59 -8.598 0.741 -2.738 1.00 0.00 O ATOM 986 OD2 ASP A 59 -7.457 -0.825 -1.849 1.00 0.00 O ATOM 0 H ASP A 59 -4.703 3.038 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.442 2.786 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.197 1.576 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.445 0.574 -2.119 1.00 0.00 H new ATOM 991 N ILE A 60 -5.193 1.461 0.513 1.00 0.00 N ATOM 992 CA ILE A 60 -4.926 0.876 1.821 1.00 0.00 C ATOM 993 C ILE A 60 -5.372 1.801 2.957 1.00 0.00 C ATOM 994 O ILE A 60 -5.807 1.329 4.018 1.00 0.00 O ATOM 995 CB ILE A 60 -3.433 0.518 1.951 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.071 -0.619 0.981 1.00 0.00 C ATOM 997 CG2 ILE A 60 -3.112 0.078 3.381 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.807 -1.904 1.368 1.00 0.00 C ATOM 0 H ILE A 60 -4.351 1.648 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.512 -0.039 1.905 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.848 1.405 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.334 -0.334 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.995 -0.790 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.054 -0.171 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.344 0.889 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.710 -0.797 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.541 -2.700 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.523 -2.196 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.883 -1.733 1.329 1.00 0.00 H new ATOM 1010 N PHE A 61 -5.095 3.087 2.806 1.00 0.00 N ATOM 1011 CA PHE A 61 -5.315 4.054 3.876 1.00 0.00 C ATOM 1012 C PHE A 61 -6.685 3.859 4.516 1.00 0.00 C ATOM 1013 O PHE A 61 -7.721 3.956 3.847 1.00 0.00 O ATOM 1014 CB PHE A 61 -5.214 5.492 3.335 1.00 0.00 C ATOM 1015 CG PHE A 61 -4.634 6.402 4.404 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -5.297 6.579 5.627 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -3.431 7.075 4.165 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -4.753 7.421 6.609 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -2.891 7.916 5.144 1.00 0.00 C ATOM 1020 CZ PHE A 61 -3.552 8.093 6.364 1.00 0.00 C ATOM 0 H PHE A 61 -4.715 3.489 1.949 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.543 3.892 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.584 5.513 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.200 5.848 3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.229 6.066 5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.918 6.945 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.262 7.550 7.553 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.960 8.431 4.957 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.135 8.748 7.115 1.00 0.00 H new