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 27 SER OG : rot -154:sc= 0.629! USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -159:sc= 0.225! (180deg=-0.874) USER MOD Set 2.2: A 55 THR OG1 : rot -10:sc= 0.804 USER MOD Single : A 5 ASN : amide:sc= -2.46 K(o=-2.5,f=-15!) USER MOD Single : A 7 LYS NZ :NH3+ -126:sc= -0.596! (180deg=-2.82!) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= 0.846 (180deg=-1.14!) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= 0.681 (180deg=-0.16) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0024 X(o=-0.0024,f=-0.028) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0281) USER MOD Single : A 37 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.0139 (180deg=-0.258) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -5.21! C(o=-5.2!,f=-5.5!) USER MOD Single : A 42 SER OG : rot 117:sc= 1.11 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.18) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.020 -3.675 7.160 1.00 0.00 N ATOM 71 CA ASN A 5 -4.697 -3.223 7.574 1.00 0.00 C ATOM 72 C ASN A 5 -3.589 -4.016 6.904 1.00 0.00 C ATOM 73 O ASN A 5 -3.836 -4.909 6.089 1.00 0.00 O ATOM 74 CB ASN A 5 -4.561 -3.354 9.093 1.00 0.00 C ATOM 75 CG ASN A 5 -4.843 -4.793 9.513 1.00 0.00 C ATOM 76 OD1 ASN A 5 -4.589 -5.724 8.747 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.357 -5.036 10.675 1.00 0.00 N ATOM 0 HA ASN A 5 -4.596 -2.181 7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.557 -3.064 9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.256 -2.677 9.590 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.551 -5.997 10.956 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.568 -4.266 11.310 1.00 0.00 H new ATOM 84 N LEU A 6 -2.363 -3.686 7.268 1.00 0.00 N ATOM 85 CA LEU A 6 -1.183 -4.343 6.733 1.00 0.00 C ATOM 86 C LEU A 6 -1.183 -5.815 7.092 1.00 0.00 C ATOM 87 O LEU A 6 -0.838 -6.657 6.263 1.00 0.00 O ATOM 88 CB LEU A 6 0.098 -3.659 7.225 1.00 0.00 C ATOM 89 CG LEU A 6 0.393 -2.407 6.370 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.971 -2.816 5.015 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.895 -1.606 6.141 1.00 0.00 C ATOM 0 H LEU A 6 -2.156 -2.952 7.946 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.210 -4.257 5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.010 -3.377 8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.936 -4.354 7.167 1.00 0.00 H new ATOM 0 HG LEU A 6 1.116 -1.791 6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.174 -1.924 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.897 -3.370 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.254 -3.446 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.674 -0.726 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.623 -2.229 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.305 -1.293 7.101 1.00 0.00 H new ATOM 103 N LYS A 7 -1.648 -6.130 8.294 1.00 0.00 N ATOM 104 CA LYS A 7 -1.769 -7.525 8.700 1.00 0.00 C ATOM 105 C LYS A 7 -2.569 -8.273 7.665 1.00 0.00 C ATOM 106 O LYS A 7 -2.140 -9.310 7.154 1.00 0.00 O ATOM 107 CB LYS A 7 -2.504 -7.598 10.061 1.00 0.00 C ATOM 108 CG LYS A 7 -3.050 -9.021 10.312 1.00 0.00 C ATOM 109 CD LYS A 7 -3.759 -9.082 11.675 1.00 0.00 C ATOM 110 CE LYS A 7 -4.272 -10.508 11.929 1.00 0.00 C ATOM 111 NZ LYS A 7 -5.224 -10.901 10.858 1.00 0.00 N ATOM 0 H LYS A 7 -1.943 -5.451 8.995 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.778 -7.969 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.822 -7.318 10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.325 -6.881 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.745 -9.297 9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.233 -9.742 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.071 -8.786 12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.590 -8.377 11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.435 -11.205 11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.763 -10.560 12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.119 -11.214 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.404 -10.086 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.817 -11.678 10.300 1.00 0.00 H new ATOM 125 N LEU A 8 -3.693 -7.711 7.307 1.00 0.00 N ATOM 126 CA LEU A 8 -4.541 -8.300 6.304 1.00 0.00 C ATOM 127 C LEU A 8 -3.843 -8.307 4.958 1.00 0.00 C ATOM 128 O LEU A 8 -3.909 -9.289 4.228 1.00 0.00 O ATOM 129 CB LEU A 8 -5.858 -7.556 6.236 1.00 0.00 C ATOM 130 CG LEU A 8 -6.613 -7.769 7.556 1.00 0.00 C ATOM 131 CD1 LEU A 8 -7.834 -6.861 7.593 1.00 0.00 C ATOM 132 CD2 LEU A 8 -7.060 -9.232 7.689 1.00 0.00 C ATOM 0 H LEU A 8 -4.045 -6.838 7.699 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.749 -9.335 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.683 -6.493 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.453 -7.918 5.398 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.947 -7.528 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.371 -7.011 8.530 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.516 -5.821 7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.490 -7.100 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.593 -9.365 8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.719 -9.488 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.186 -9.883 7.672 1.00 0.00 H new ATOM 144 N ILE A 9 -3.137 -7.225 4.640 1.00 0.00 N ATOM 145 CA ILE A 9 -2.407 -7.164 3.379 1.00 0.00 C ATOM 146 C ILE A 9 -1.344 -8.257 3.356 1.00 0.00 C ATOM 147 O ILE A 9 -1.187 -8.975 2.363 1.00 0.00 O ATOM 148 CB ILE A 9 -1.765 -5.781 3.158 1.00 0.00 C ATOM 149 CG1 ILE A 9 -2.865 -4.737 2.958 1.00 0.00 C ATOM 150 CG2 ILE A 9 -0.898 -5.811 1.895 1.00 0.00 C ATOM 151 CD1 ILE A 9 -2.262 -3.337 2.969 1.00 0.00 C ATOM 0 H ILE A 9 -3.056 -6.394 5.226 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.114 -7.324 2.565 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.155 -5.530 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.378 -4.914 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.611 -4.827 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.445 -4.832 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.114 -6.559 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.517 -6.064 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.052 -2.600 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.770 -3.160 3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.533 -3.249 2.164 1.00 0.00 H new ATOM 163 N ARG A 10 -0.654 -8.403 4.469 1.00 0.00 N ATOM 164 CA ARG A 10 0.348 -9.441 4.619 1.00 0.00 C ATOM 165 C ARG A 10 -0.296 -10.815 4.464 1.00 0.00 C ATOM 166 O ARG A 10 0.193 -11.653 3.707 1.00 0.00 O ATOM 167 CB ARG A 10 1.017 -9.300 5.991 1.00 0.00 C ATOM 168 CG ARG A 10 1.946 -8.075 5.978 1.00 0.00 C ATOM 169 CD ARG A 10 2.390 -7.729 7.407 1.00 0.00 C ATOM 170 NE ARG A 10 2.771 -8.926 8.153 1.00 0.00 N ATOM 171 CZ ARG A 10 3.277 -8.845 9.386 1.00 0.00 C ATOM 172 NH1 ARG A 10 3.544 -7.675 9.899 1.00 0.00 N ATOM 173 NH2 ARG A 10 3.503 -9.931 10.074 1.00 0.00 N ATOM 0 H ARG A 10 -0.770 -7.810 5.291 1.00 0.00 H new ATOM 0 HA ARG A 10 1.108 -9.336 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.261 -9.189 6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.586 -10.200 6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.819 -8.278 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.431 -7.224 5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.232 -7.038 7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.580 -7.217 7.927 1.00 0.00 H new ATOM 0 HE ARG A 10 2.648 -9.843 7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.366 -6.828 9.358 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.931 -7.607 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.293 -10.844 9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.890 -9.867 11.016 1.00 0.00 H new ATOM 187 N GLU A 11 -1.461 -10.980 5.068 1.00 0.00 N ATOM 188 CA GLU A 11 -2.241 -12.199 4.896 1.00 0.00 C ATOM 189 C GLU A 11 -2.740 -12.300 3.458 1.00 0.00 C ATOM 190 O GLU A 11 -2.780 -13.386 2.872 1.00 0.00 O ATOM 191 CB GLU A 11 -3.421 -12.180 5.853 1.00 0.00 C ATOM 192 CG GLU A 11 -2.901 -12.303 7.284 1.00 0.00 C ATOM 193 CD GLU A 11 -4.023 -12.149 8.284 1.00 0.00 C ATOM 194 OE1 GLU A 11 -5.157 -12.022 7.877 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.738 -12.160 9.453 1.00 0.00 O ATOM 0 H GLU A 11 -1.889 -10.287 5.682 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.613 -13.064 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.986 -11.255 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.102 -13.001 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.421 -13.272 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.141 -11.543 7.465 1.00 0.00 H new ATOM 202 N LYS A 12 -3.152 -11.164 2.913 1.00 0.00 N ATOM 203 CA LYS A 12 -3.633 -11.061 1.539 1.00 0.00 C ATOM 204 C LYS A 12 -2.524 -11.419 0.554 1.00 0.00 C ATOM 205 O LYS A 12 -2.729 -12.204 -0.380 1.00 0.00 O ATOM 206 CB LYS A 12 -4.100 -9.623 1.285 1.00 0.00 C ATOM 207 CG LYS A 12 -4.608 -9.460 -0.156 1.00 0.00 C ATOM 208 CD LYS A 12 -5.098 -8.020 -0.369 1.00 0.00 C ATOM 209 CE LYS A 12 -3.909 -7.041 -0.256 1.00 0.00 C ATOM 210 NZ LYS A 12 -3.731 -6.298 -1.525 1.00 0.00 N ATOM 0 H LYS A 12 -3.162 -10.277 3.417 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.460 -11.757 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.893 -9.364 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.277 -8.931 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.811 -9.692 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.418 -10.163 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.566 -7.927 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.858 -7.771 0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.082 -6.341 0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.998 -7.591 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.761 -5.926 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.900 -6.937 -2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.407 -5.509 -1.563 1.00 0.00 H new ATOM 224 N LYS A 13 -1.355 -10.831 0.763 1.00 0.00 N ATOM 225 CA LYS A 13 -0.205 -11.060 -0.106 1.00 0.00 C ATOM 226 C LYS A 13 0.561 -12.303 0.294 1.00 0.00 C ATOM 227 O LYS A 13 1.447 -12.746 -0.441 1.00 0.00 O ATOM 228 CB LYS A 13 0.727 -9.848 -0.126 1.00 0.00 C ATOM 229 CG LYS A 13 0.230 -8.806 -1.145 1.00 0.00 C ATOM 230 CD LYS A 13 0.369 -9.348 -2.590 1.00 0.00 C ATOM 231 CE LYS A 13 1.766 -9.980 -2.809 1.00 0.00 C ATOM 232 NZ LYS A 13 1.694 -11.470 -2.661 1.00 0.00 N ATOM 0 H LYS A 13 -1.175 -10.186 1.533 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.594 -11.213 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.774 -9.401 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.738 -10.163 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.812 -8.559 -0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.802 -7.884 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.405 -10.091 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.216 -8.538 -3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.136 -9.724 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.475 -9.570 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.392 -11.915 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.900 -11.731 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.740 -11.798 -2.914 1.00 0.00 H new ATOM 246 N LYS A 14 0.241 -12.831 1.461 1.00 0.00 N ATOM 247 CA LYS A 14 0.865 -14.040 1.984 1.00 0.00 C ATOM 248 C LYS A 14 2.374 -14.021 1.829 1.00 0.00 C ATOM 249 O LYS A 14 2.934 -14.628 0.906 1.00 0.00 O ATOM 250 CB LYS A 14 0.241 -15.289 1.364 1.00 0.00 C ATOM 251 CG LYS A 14 -1.236 -15.292 1.754 1.00 0.00 C ATOM 252 CD LYS A 14 -1.958 -16.535 1.234 1.00 0.00 C ATOM 253 CE LYS A 14 -3.451 -16.415 1.588 1.00 0.00 C ATOM 254 NZ LYS A 14 -3.601 -15.749 2.920 1.00 0.00 N ATOM 0 H LYS A 14 -0.465 -12.432 2.080 1.00 0.00 H new ATOM 0 HA LYS A 14 0.669 -14.070 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.353 -15.278 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.737 -16.189 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.325 -15.247 2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.719 -14.399 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.830 -16.624 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.534 -17.434 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.971 -15.840 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.910 -17.403 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.558 -15.922 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.899 -16.136 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.450 -14.725 2.815 1.00 0.00 H new ATOM 268 N ILE A 15 3.028 -13.315 2.727 1.00 0.00 N ATOM 269 CA ILE A 15 4.468 -13.201 2.702 1.00 0.00 C ATOM 270 C ILE A 15 5.056 -14.385 3.451 1.00 0.00 C ATOM 271 O ILE A 15 4.691 -14.637 4.601 1.00 0.00 O ATOM 272 CB ILE A 15 4.883 -11.895 3.404 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.285 -10.701 2.668 1.00 0.00 C ATOM 274 CG2 ILE A 15 6.404 -11.755 3.405 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.505 -9.436 3.500 1.00 0.00 C ATOM 0 H ILE A 15 2.579 -12.808 3.489 1.00 0.00 H new ATOM 0 HA ILE A 15 4.830 -13.190 1.674 1.00 0.00 H new ATOM 0 HB ILE A 15 4.517 -11.924 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.750 -10.592 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.220 -10.859 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.684 -10.827 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.847 -12.599 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.769 -11.738 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.079 -8.579 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.019 -9.549 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.574 -9.278 3.646 1.00 0.00 H new ATOM 287 N SER A 16 5.943 -15.112 2.804 1.00 0.00 N ATOM 288 CA SER A 16 6.555 -16.273 3.424 1.00 0.00 C ATOM 289 C SER A 16 7.503 -15.841 4.527 1.00 0.00 C ATOM 290 O SER A 16 7.940 -14.692 4.561 1.00 0.00 O ATOM 291 CB SER A 16 7.268 -17.129 2.378 1.00 0.00 C ATOM 292 OG SER A 16 6.372 -17.358 1.285 1.00 0.00 O ATOM 0 H SER A 16 6.257 -14.922 1.852 1.00 0.00 H new ATOM 0 HA SER A 16 5.773 -16.885 3.873 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.170 -16.626 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.581 -18.077 2.815 1.00 0.00 H new ATOM 0 HG SER A 16 6.818 -17.905 0.605 1.00 0.00 H new ATOM 298 N GLN A 17 7.769 -16.730 5.460 1.00 0.00 N ATOM 299 CA GLN A 17 8.589 -16.391 6.605 1.00 0.00 C ATOM 300 C GLN A 17 9.914 -15.841 6.132 1.00 0.00 C ATOM 301 O GLN A 17 10.349 -14.790 6.578 1.00 0.00 O ATOM 302 CB GLN A 17 8.839 -17.637 7.449 1.00 0.00 C ATOM 303 CG GLN A 17 7.533 -18.113 8.091 1.00 0.00 C ATOM 304 CD GLN A 17 7.784 -19.380 8.899 1.00 0.00 C ATOM 305 OE1 GLN A 17 6.933 -19.792 9.689 1.00 0.00 O ATOM 306 NE2 GLN A 17 8.895 -20.031 8.745 1.00 0.00 N ATOM 0 H GLN A 17 7.430 -17.692 5.449 1.00 0.00 H new ATOM 0 HA GLN A 17 8.071 -15.643 7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.256 -18.429 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.575 -17.419 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.130 -17.333 8.737 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.787 -18.305 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.600 -19.690 8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.064 -20.884 9.278 1.00 0.00 H new ATOM 315 N SER A 18 10.494 -16.505 5.154 1.00 0.00 N ATOM 316 CA SER A 18 11.740 -16.050 4.571 1.00 0.00 C ATOM 317 C SER A 18 11.547 -14.663 3.962 1.00 0.00 C ATOM 318 O SER A 18 12.383 -13.765 4.136 1.00 0.00 O ATOM 319 CB SER A 18 12.165 -17.034 3.484 1.00 0.00 C ATOM 320 OG SER A 18 12.151 -18.355 4.023 1.00 0.00 O ATOM 0 H SER A 18 10.123 -17.363 4.745 1.00 0.00 H new ATOM 0 HA SER A 18 12.509 -15.995 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.489 -16.968 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.162 -16.786 3.121 1.00 0.00 H new ATOM 0 HG SER A 18 12.421 -18.994 3.331 1.00 0.00 H new ATOM 326 N GLU A 19 10.422 -14.491 3.285 1.00 0.00 N ATOM 327 CA GLU A 19 10.076 -13.228 2.658 1.00 0.00 C ATOM 328 C GLU A 19 9.830 -12.173 3.730 1.00 0.00 C ATOM 329 O GLU A 19 10.394 -11.081 3.694 1.00 0.00 O ATOM 330 CB GLU A 19 8.788 -13.422 1.848 1.00 0.00 C ATOM 331 CG GLU A 19 9.038 -14.361 0.655 1.00 0.00 C ATOM 332 CD GLU A 19 7.726 -14.709 -0.034 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.686 -14.335 0.468 1.00 0.00 O ATOM 334 OE2 GLU A 19 7.771 -15.350 -1.054 1.00 0.00 O ATOM 0 H GLU A 19 9.724 -15.224 3.156 1.00 0.00 H new ATOM 0 HA GLU A 19 10.890 -12.903 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.008 -13.836 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.428 -12.458 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.713 -13.884 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.528 -15.272 0.998 1.00 0.00 H new ATOM 341 N LEU A 20 9.014 -12.534 4.708 1.00 0.00 N ATOM 342 CA LEU A 20 8.696 -11.639 5.805 1.00 0.00 C ATOM 343 C LEU A 20 9.960 -11.354 6.586 1.00 0.00 C ATOM 344 O LEU A 20 10.268 -10.202 6.908 1.00 0.00 O ATOM 345 CB LEU A 20 7.624 -12.270 6.712 1.00 0.00 C ATOM 346 CG LEU A 20 7.214 -11.292 7.829 1.00 0.00 C ATOM 347 CD1 LEU A 20 6.614 -10.012 7.221 1.00 0.00 C ATOM 348 CD2 LEU A 20 6.178 -11.960 8.738 1.00 0.00 C ATOM 0 H LEU A 20 8.559 -13.445 4.763 1.00 0.00 H new ATOM 0 HA LEU A 20 8.296 -10.703 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.750 -12.539 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.008 -13.191 7.151 1.00 0.00 H new ATOM 0 HG LEU A 20 8.097 -11.028 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.328 -9.329 8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.354 -9.532 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.734 -10.268 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.888 -11.268 9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.300 -12.230 8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.608 -12.858 9.182 1.00 0.00 H new ATOM 360 N ALA A 21 10.741 -12.401 6.809 1.00 0.00 N ATOM 361 CA ALA A 21 12.009 -12.266 7.482 1.00 0.00 C ATOM 362 C ALA A 21 12.894 -11.310 6.710 1.00 0.00 C ATOM 363 O ALA A 21 13.576 -10.478 7.304 1.00 0.00 O ATOM 364 CB ALA A 21 12.702 -13.627 7.629 1.00 0.00 C ATOM 0 H ALA A 21 10.511 -13.354 6.529 1.00 0.00 H new ATOM 0 HA ALA A 21 11.831 -11.869 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.656 -13.496 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.068 -14.297 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.875 -14.056 6.642 1.00 0.00 H new ATOM 370 N ALA A 22 12.834 -11.393 5.378 1.00 0.00 N ATOM 371 CA ALA A 22 13.579 -10.471 4.519 1.00 0.00 C ATOM 372 C ALA A 22 13.115 -9.047 4.768 1.00 0.00 C ATOM 373 O ALA A 22 13.921 -8.138 4.981 1.00 0.00 O ATOM 374 CB ALA A 22 13.369 -10.823 3.039 1.00 0.00 C ATOM 0 H ALA A 22 12.280 -12.086 4.874 1.00 0.00 H new ATOM 0 HA ALA A 22 14.639 -10.559 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.931 -10.127 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.718 -11.839 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.309 -10.754 2.795 1.00 0.00 H new ATOM 380 N LEU A 23 11.811 -8.864 4.782 1.00 0.00 N ATOM 381 CA LEU A 23 11.236 -7.559 5.055 1.00 0.00 C ATOM 382 C LEU A 23 11.594 -7.125 6.472 1.00 0.00 C ATOM 383 O LEU A 23 11.876 -5.952 6.733 1.00 0.00 O ATOM 384 CB LEU A 23 9.711 -7.601 4.885 1.00 0.00 C ATOM 385 CG LEU A 23 9.357 -7.865 3.409 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.842 -7.990 3.254 1.00 0.00 C ATOM 387 CD2 LEU A 23 9.867 -6.720 2.528 1.00 0.00 C ATOM 0 H LEU A 23 11.128 -9.601 4.608 1.00 0.00 H new ATOM 0 HA LEU A 23 11.644 -6.838 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.287 -8.383 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.274 -6.657 5.210 1.00 0.00 H new ATOM 0 HG LEU A 23 9.833 -8.794 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.597 -8.177 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.481 -8.818 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.365 -7.065 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.610 -6.919 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.405 -5.785 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.950 -6.640 2.626 1.00 0.00 H new ATOM 399 N LEU A 24 11.553 -8.076 7.380 1.00 0.00 N ATOM 400 CA LEU A 24 11.804 -7.818 8.790 1.00 0.00 C ATOM 401 C LEU A 24 13.281 -7.882 9.166 1.00 0.00 C ATOM 402 O LEU A 24 13.611 -7.981 10.341 1.00 0.00 O ATOM 403 CB LEU A 24 10.954 -8.724 9.690 1.00 0.00 C ATOM 404 CG LEU A 24 9.471 -8.331 9.553 1.00 0.00 C ATOM 405 CD1 LEU A 24 8.578 -9.315 10.305 1.00 0.00 C ATOM 406 CD2 LEU A 24 9.237 -6.904 10.083 1.00 0.00 C ATOM 0 H LEU A 24 11.345 -9.051 7.166 1.00 0.00 H new ATOM 0 HA LEU A 24 11.496 -6.787 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.093 -9.768 9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.273 -8.628 10.728 1.00 0.00 H new ATOM 0 HG LEU A 24 9.213 -8.362 8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.535 -9.018 10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.715 -10.316 9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.845 -9.315 11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.184 -6.645 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.519 -6.856 11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.843 -6.200 9.512 1.00 0.00 H new ATOM 418 N GLU A 25 14.170 -7.784 8.180 1.00 0.00 N ATOM 419 CA GLU A 25 15.618 -7.743 8.458 1.00 0.00 C ATOM 420 C GLU A 25 15.954 -6.583 9.423 1.00 0.00 C ATOM 421 O GLU A 25 17.085 -6.481 9.917 1.00 0.00 O ATOM 422 CB GLU A 25 16.424 -7.615 7.150 1.00 0.00 C ATOM 423 CG GLU A 25 16.360 -8.953 6.374 1.00 0.00 C ATOM 424 CD GLU A 25 17.211 -10.026 7.047 1.00 0.00 C ATOM 425 OE1 GLU A 25 18.138 -9.674 7.755 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.961 -11.187 6.807 1.00 0.00 O ATOM 0 H GLU A 25 13.925 -7.732 7.191 1.00 0.00 H new ATOM 0 HA GLU A 25 15.899 -8.680 8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.021 -6.808 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.460 -7.360 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.326 -9.291 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.706 -8.800 5.352 1.00 0.00 H new ATOM 433 N VAL A 26 14.943 -5.773 9.743 1.00 0.00 N ATOM 434 CA VAL A 26 15.061 -4.696 10.729 1.00 0.00 C ATOM 435 C VAL A 26 14.384 -5.154 12.020 1.00 0.00 C ATOM 436 O VAL A 26 13.520 -6.033 11.978 1.00 0.00 O ATOM 437 CB VAL A 26 14.364 -3.428 10.203 1.00 0.00 C ATOM 438 CG1 VAL A 26 15.112 -2.899 8.979 1.00 0.00 C ATOM 439 CG2 VAL A 26 12.916 -3.754 9.795 1.00 0.00 C ATOM 0 H VAL A 26 14.016 -5.846 9.324 1.00 0.00 H new ATOM 0 HA VAL A 26 16.111 -4.469 10.912 1.00 0.00 H new ATOM 0 HB VAL A 26 14.363 -2.676 10.992 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.616 -2.002 8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.138 -2.658 9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.116 -3.659 8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.430 -2.851 9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.921 -4.512 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.370 -4.130 10.660 1.00 0.00 H new ATOM 449 N SER A 27 14.815 -4.642 13.173 1.00 0.00 N ATOM 450 CA SER A 27 14.248 -5.143 14.419 1.00 0.00 C ATOM 451 C SER A 27 12.738 -4.967 14.408 1.00 0.00 C ATOM 452 O SER A 27 12.230 -3.841 14.367 1.00 0.00 O ATOM 453 CB SER A 27 14.849 -4.413 15.622 1.00 0.00 C ATOM 454 OG SER A 27 14.292 -4.947 16.830 1.00 0.00 O ATOM 0 H SER A 27 15.523 -3.914 13.269 1.00 0.00 H new ATOM 0 HA SER A 27 14.487 -6.203 14.505 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.933 -4.528 15.627 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.642 -3.345 15.554 1.00 0.00 H new ATOM 0 HG SER A 27 14.328 -4.267 17.535 1.00 0.00 H new ATOM 460 N ARG A 28 12.024 -6.078 14.470 1.00 0.00 N ATOM 461 CA ARG A 28 10.576 -6.049 14.466 1.00 0.00 C ATOM 462 C ARG A 28 10.098 -5.514 15.802 1.00 0.00 C ATOM 463 O ARG A 28 9.228 -4.649 15.881 1.00 0.00 O ATOM 464 CB ARG A 28 10.043 -7.481 14.323 1.00 0.00 C ATOM 465 CG ARG A 28 10.608 -8.152 13.074 1.00 0.00 C ATOM 466 CD ARG A 28 10.139 -9.608 13.046 1.00 0.00 C ATOM 467 NE ARG A 28 10.715 -10.340 14.180 1.00 0.00 N ATOM 468 CZ ARG A 28 10.361 -11.597 14.455 1.00 0.00 C ATOM 469 NH1 ARG A 28 9.504 -12.206 13.687 1.00 0.00 N ATOM 470 NH2 ARG A 28 10.860 -12.204 15.495 1.00 0.00 N ATOM 0 H ARG A 28 12.428 -7.013 14.524 1.00 0.00 H new ATOM 0 HA ARG A 28 10.225 -5.425 13.644 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.311 -8.062 15.205 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.954 -7.464 14.270 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.271 -7.629 12.179 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.697 -8.106 13.080 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.051 -9.650 13.090 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.438 -10.078 12.109 1.00 0.00 H new ATOM 0 HE ARG A 28 11.403 -9.876 14.773 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.108 -11.722 12.881 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.229 -13.167 13.891 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.522 -11.718 16.100 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.588 -13.165 15.704 1.00 0.00 H new ATOM 484 N GLN A 29 10.661 -6.097 16.855 1.00 0.00 N ATOM 485 CA GLN A 29 10.249 -5.825 18.221 1.00 0.00 C ATOM 486 C GLN A 29 10.502 -4.393 18.618 1.00 0.00 C ATOM 487 O GLN A 29 9.704 -3.800 19.345 1.00 0.00 O ATOM 488 CB GLN A 29 10.975 -6.761 19.188 1.00 0.00 C ATOM 489 CG GLN A 29 10.498 -8.201 18.970 1.00 0.00 C ATOM 490 CD GLN A 29 11.263 -9.139 19.886 1.00 0.00 C ATOM 491 OE1 GLN A 29 10.843 -9.385 21.023 1.00 0.00 O ATOM 492 NE2 GLN A 29 12.371 -9.670 19.476 1.00 0.00 N ATOM 0 H GLN A 29 11.420 -6.775 16.781 1.00 0.00 H new ATOM 0 HA GLN A 29 9.174 -6.000 18.273 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.052 -6.697 19.032 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.784 -6.456 20.217 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.429 -8.274 19.170 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.648 -8.490 17.930 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.717 -9.467 18.538 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.897 -10.291 20.091 1.00 0.00 H new ATOM 501 N THR A 30 11.638 -3.854 18.221 1.00 0.00 N ATOM 502 CA THR A 30 11.984 -2.522 18.648 1.00 0.00 C ATOM 503 C THR A 30 10.926 -1.522 18.198 1.00 0.00 C ATOM 504 O THR A 30 10.200 -0.970 19.028 1.00 0.00 O ATOM 505 CB THR A 30 13.384 -2.138 18.136 1.00 0.00 C ATOM 506 OG1 THR A 30 14.282 -3.224 18.377 1.00 0.00 O ATOM 507 CG2 THR A 30 13.888 -0.902 18.885 1.00 0.00 C ATOM 0 H THR A 30 12.321 -4.310 17.616 1.00 0.00 H new ATOM 0 HA THR A 30 12.013 -2.500 19.737 1.00 0.00 H new ATOM 0 HB THR A 30 13.332 -1.921 17.069 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.176 -2.988 18.052 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.879 -0.634 18.519 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.203 -0.071 18.718 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.942 -1.120 19.952 1.00 0.00 H new ATOM 515 N ILE A 31 10.796 -1.319 16.903 1.00 0.00 N ATOM 516 CA ILE A 31 9.789 -0.400 16.418 1.00 0.00 C ATOM 517 C ILE A 31 8.363 -0.910 16.689 1.00 0.00 C ATOM 518 O ILE A 31 7.497 -0.155 17.135 1.00 0.00 O ATOM 519 CB ILE A 31 9.983 -0.122 14.930 1.00 0.00 C ATOM 520 CG1 ILE A 31 11.301 0.632 14.725 1.00 0.00 C ATOM 521 CG2 ILE A 31 8.831 0.765 14.447 1.00 0.00 C ATOM 522 CD1 ILE A 31 11.635 0.684 13.236 1.00 0.00 C ATOM 0 H ILE A 31 11.361 -1.767 16.182 1.00 0.00 H new ATOM 0 HA ILE A 31 9.912 0.532 16.969 1.00 0.00 H new ATOM 0 HB ILE A 31 10.003 -1.060 14.375 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.220 1.643 15.125 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.104 0.137 15.271 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.954 0.974 13.384 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.884 0.251 14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.835 1.702 15.004 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.573 1.221 13.092 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.734 -0.330 12.850 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.837 1.199 12.702 1.00 0.00 H new ATOM 534 N ASN A 32 8.110 -2.185 16.392 1.00 0.00 N ATOM 535 CA ASN A 32 6.760 -2.718 16.565 1.00 0.00 C ATOM 536 C ASN A 32 6.364 -2.732 18.015 1.00 0.00 C ATOM 537 O ASN A 32 5.237 -2.403 18.358 1.00 0.00 O ATOM 538 CB ASN A 32 6.596 -4.116 15.964 1.00 0.00 C ATOM 539 CG ASN A 32 5.116 -4.494 15.948 1.00 0.00 C ATOM 540 OD1 ASN A 32 4.695 -5.384 16.690 1.00 0.00 O ATOM 541 ND2 ASN A 32 4.299 -3.868 15.159 1.00 0.00 N ATOM 0 H ASN A 32 8.799 -2.850 16.041 1.00 0.00 H new ATOM 0 HA ASN A 32 6.096 -2.047 16.020 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.999 -4.137 14.951 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.161 -4.843 16.547 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.309 -4.112 15.153 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.647 -3.132 14.545 1.00 0.00 H new ATOM 548 N GLY A 33 7.290 -3.111 18.872 1.00 0.00 N ATOM 549 CA GLY A 33 6.997 -3.184 20.287 1.00 0.00 C ATOM 550 C GLY A 33 6.530 -1.843 20.805 1.00 0.00 C ATOM 551 O GLY A 33 5.521 -1.768 21.518 1.00 0.00 O ATOM 0 H GLY A 33 8.243 -3.371 18.616 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.229 -3.936 20.466 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.886 -3.500 20.832 1.00 0.00 H new ATOM 555 N ILE A 34 7.204 -0.767 20.405 1.00 0.00 N ATOM 556 CA ILE A 34 6.772 0.548 20.836 1.00 0.00 C ATOM 557 C ILE A 34 5.471 0.933 20.155 1.00 0.00 C ATOM 558 O ILE A 34 4.538 1.410 20.804 1.00 0.00 O ATOM 559 CB ILE A 34 7.853 1.620 20.584 1.00 0.00 C ATOM 560 CG1 ILE A 34 8.160 1.747 19.089 1.00 0.00 C ATOM 561 CG2 ILE A 34 9.139 1.239 21.309 1.00 0.00 C ATOM 562 CD1 ILE A 34 9.096 2.936 18.859 1.00 0.00 C ATOM 0 H ILE A 34 8.026 -0.782 19.801 1.00 0.00 H new ATOM 0 HA ILE A 34 6.605 0.499 21.912 1.00 0.00 H new ATOM 0 HB ILE A 34 7.474 2.572 20.957 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.622 0.830 18.723 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.236 1.884 18.528 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.898 2.000 21.127 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.946 1.168 22.379 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.494 0.277 20.939 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.315 3.026 17.795 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.616 3.850 19.210 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.025 2.780 19.408 1.00 0.00 H new ATOM 574 N GLU A 35 5.393 0.709 18.847 1.00 0.00 N ATOM 575 CA GLU A 35 4.198 1.070 18.114 1.00 0.00 C ATOM 576 C GLU A 35 3.011 0.207 18.489 1.00 0.00 C ATOM 577 O GLU A 35 1.944 0.723 18.804 1.00 0.00 O ATOM 578 CB GLU A 35 4.433 1.065 16.597 1.00 0.00 C ATOM 579 CG GLU A 35 5.350 2.236 16.234 1.00 0.00 C ATOM 580 CD GLU A 35 5.604 2.314 14.733 1.00 0.00 C ATOM 581 OE1 GLU A 35 5.129 1.467 14.011 1.00 0.00 O ATOM 582 OE2 GLU A 35 6.271 3.240 14.330 1.00 0.00 O ATOM 0 H GLU A 35 6.133 0.286 18.286 1.00 0.00 H new ATOM 0 HA GLU A 35 3.956 2.092 18.405 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.885 0.122 16.289 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.484 1.151 16.068 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.901 3.169 16.575 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.300 2.129 16.758 1.00 0.00 H new ATOM 589 N LYS A 36 3.208 -1.091 18.566 1.00 0.00 N ATOM 590 CA LYS A 36 2.104 -1.979 18.898 1.00 0.00 C ATOM 591 C LYS A 36 1.575 -1.618 20.277 1.00 0.00 C ATOM 592 O LYS A 36 0.396 -1.837 20.591 1.00 0.00 O ATOM 593 CB LYS A 36 2.582 -3.439 18.873 1.00 0.00 C ATOM 594 CG LYS A 36 1.397 -4.397 18.689 1.00 0.00 C ATOM 595 CD LYS A 36 0.832 -4.236 17.270 1.00 0.00 C ATOM 596 CE LYS A 36 -0.075 -5.425 16.925 1.00 0.00 C ATOM 597 NZ LYS A 36 -1.294 -5.392 17.768 1.00 0.00 N ATOM 0 H LYS A 36 4.103 -1.553 18.407 1.00 0.00 H new ATOM 0 HA LYS A 36 1.305 -1.866 18.165 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.297 -3.578 18.063 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.103 -3.672 19.802 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.718 -5.426 18.851 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.624 -4.184 19.427 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.268 -3.306 17.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.648 -4.171 16.551 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.350 -5.389 15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.462 -6.361 17.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.956 -6.128 17.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.035 -5.565 18.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.747 -4.459 17.687 1.00 0.00 H new ATOM 611 N ASN A 37 2.412 -0.943 21.047 1.00 0.00 N ATOM 612 CA ASN A 37 2.008 -0.413 22.332 1.00 0.00 C ATOM 613 C ASN A 37 1.482 1.013 22.201 1.00 0.00 C ATOM 614 O ASN A 37 0.478 1.372 22.813 1.00 0.00 O ATOM 615 CB ASN A 37 3.180 -0.456 23.315 1.00 0.00 C ATOM 616 CG ASN A 37 2.794 0.191 24.643 1.00 0.00 C ATOM 617 OD1 ASN A 37 1.619 0.219 25.006 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.707 0.709 25.390 1.00 0.00 N ATOM 0 H ASN A 37 3.382 -0.750 20.799 1.00 0.00 H new ATOM 0 HA ASN A 37 1.200 -1.037 22.714 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.483 -1.490 23.483 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.039 0.062 22.888 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.454 1.140 26.279 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.682 0.688 25.092 1.00 0.00 H new ATOM 625 N LYS A 38 2.240 1.855 21.509 1.00 0.00 N ATOM 626 CA LYS A 38 1.928 3.273 21.427 1.00 0.00 C ATOM 627 C LYS A 38 1.118 3.642 20.184 1.00 0.00 C ATOM 628 O LYS A 38 0.142 4.386 20.268 1.00 0.00 O ATOM 629 CB LYS A 38 3.242 4.052 21.380 1.00 0.00 C ATOM 630 CG LYS A 38 3.974 3.963 22.722 1.00 0.00 C ATOM 631 CD LYS A 38 5.361 4.592 22.561 1.00 0.00 C ATOM 632 CE LYS A 38 6.068 4.668 23.914 1.00 0.00 C ATOM 633 NZ LYS A 38 5.422 5.719 24.744 1.00 0.00 N ATOM 0 H LYS A 38 3.077 1.578 20.996 1.00 0.00 H new ATOM 0 HA LYS A 38 1.324 3.521 22.300 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.877 3.656 20.587 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.043 5.096 21.138 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.410 4.483 23.496 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.064 2.923 23.036 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.957 4.002 21.864 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.268 5.591 22.135 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.015 3.704 24.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.124 4.897 23.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.053 5.979 25.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.235 6.558 24.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.525 5.357 25.127 1.00 0.00 H new ATOM 647 N TYR A 39 1.682 3.331 19.036 1.00 0.00 N ATOM 648 CA TYR A 39 1.205 3.846 17.749 1.00 0.00 C ATOM 649 C TYR A 39 0.771 2.708 16.824 1.00 0.00 C ATOM 650 O TYR A 39 1.461 1.699 16.722 1.00 0.00 O ATOM 651 CB TYR A 39 2.371 4.630 17.111 1.00 0.00 C ATOM 652 CG TYR A 39 1.904 5.626 16.064 1.00 0.00 C ATOM 653 CD1 TYR A 39 1.137 6.735 16.441 1.00 0.00 C ATOM 654 CD2 TYR A 39 2.271 5.457 14.727 1.00 0.00 C ATOM 655 CE1 TYR A 39 0.738 7.668 15.477 1.00 0.00 C ATOM 656 CE2 TYR A 39 1.868 6.384 13.767 1.00 0.00 C ATOM 657 CZ TYR A 39 1.105 7.491 14.140 1.00 0.00 C ATOM 658 OH TYR A 39 0.716 8.409 13.188 1.00 0.00 O ATOM 0 H TYR A 39 2.489 2.712 18.958 1.00 0.00 H new ATOM 0 HA TYR A 39 0.336 4.486 17.902 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.918 5.159 17.892 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.068 3.928 16.653 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.854 6.870 17.474 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.869 4.606 14.436 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.147 8.524 15.766 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.147 6.245 12.733 1.00 0.00 H new ATOM 0 HH TYR A 39 1.057 8.135 12.311 1.00 0.00 H new ATOM 668 N ASN A 40 -0.231 2.955 15.992 1.00 0.00 N ATOM 669 CA ASN A 40 -0.531 2.000 14.918 1.00 0.00 C ATOM 670 C ASN A 40 0.719 1.947 14.049 1.00 0.00 C ATOM 671 O ASN A 40 1.586 2.808 14.206 1.00 0.00 O ATOM 672 CB ASN A 40 -1.719 2.504 14.085 1.00 0.00 C ATOM 673 CG ASN A 40 -2.402 1.356 13.350 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.519 1.381 12.119 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.877 0.351 14.017 1.00 0.00 N ATOM 0 H ASN A 40 -0.835 3.776 16.029 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.792 1.019 15.314 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.438 3.002 14.736 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.373 3.246 13.365 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.343 -0.412 13.526 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.784 0.323 15.032 1.00 0.00 H new ATOM 682 N PRO A 41 0.899 0.966 13.192 1.00 0.00 N ATOM 683 CA PRO A 41 2.183 0.945 12.426 1.00 0.00 C ATOM 684 C PRO A 41 2.384 2.283 11.728 1.00 0.00 C ATOM 685 O PRO A 41 1.437 2.847 11.170 1.00 0.00 O ATOM 686 CB PRO A 41 1.991 -0.190 11.409 1.00 0.00 C ATOM 687 CG PRO A 41 0.989 -1.084 12.054 1.00 0.00 C ATOM 688 CD PRO A 41 0.022 -0.144 12.765 1.00 0.00 C ATOM 0 HA PRO A 41 3.061 0.786 13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.632 0.188 10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.927 -0.714 11.214 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.473 -1.696 11.315 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.465 -1.767 12.758 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.771 0.199 12.100 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.461 -0.627 13.614 1.00 0.00 H new ATOM 696 N SER A 42 3.590 2.824 11.826 1.00 0.00 N ATOM 697 CA SER A 42 3.860 4.143 11.277 1.00 0.00 C ATOM 698 C SER A 42 3.532 4.167 9.802 1.00 0.00 C ATOM 699 O SER A 42 3.814 3.206 9.090 1.00 0.00 O ATOM 700 CB SER A 42 5.325 4.522 11.489 1.00 0.00 C ATOM 701 OG SER A 42 5.517 4.991 12.818 1.00 0.00 O ATOM 0 H SER A 42 4.388 2.375 12.275 1.00 0.00 H new ATOM 0 HA SER A 42 3.233 4.868 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.964 3.658 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.617 5.293 10.776 1.00 0.00 H new ATOM 0 HG SER A 42 6.128 4.389 13.292 1.00 0.00 H new ATOM 707 N LEU A 43 2.978 5.271 9.331 1.00 0.00 N ATOM 708 CA LEU A 43 2.609 5.375 7.934 1.00 0.00 C ATOM 709 C LEU A 43 3.840 5.226 7.069 1.00 0.00 C ATOM 710 O LEU A 43 3.840 4.451 6.128 1.00 0.00 O ATOM 711 CB LEU A 43 1.900 6.712 7.648 1.00 0.00 C ATOM 712 CG LEU A 43 1.522 6.807 6.155 1.00 0.00 C ATOM 713 CD1 LEU A 43 0.615 5.636 5.768 1.00 0.00 C ATOM 714 CD2 LEU A 43 0.780 8.122 5.897 1.00 0.00 C ATOM 0 H LEU A 43 2.776 6.099 9.891 1.00 0.00 H new ATOM 0 HA LEU A 43 1.910 4.573 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.004 6.796 8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.552 7.543 7.919 1.00 0.00 H new ATOM 0 HG LEU A 43 2.433 6.772 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.354 5.712 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.138 4.696 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.293 5.665 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.513 8.188 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.126 8.154 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.423 8.961 6.162 1.00 0.00 H new ATOM 726 N GLN A 44 4.924 5.883 7.451 1.00 0.00 N ATOM 727 CA GLN A 44 6.174 5.739 6.717 1.00 0.00 C ATOM 728 C GLN A 44 6.639 4.280 6.758 1.00 0.00 C ATOM 729 O GLN A 44 6.985 3.702 5.728 1.00 0.00 O ATOM 730 CB GLN A 44 7.253 6.672 7.294 1.00 0.00 C ATOM 731 CG GLN A 44 6.859 8.133 7.022 1.00 0.00 C ATOM 732 CD GLN A 44 7.882 9.089 7.636 1.00 0.00 C ATOM 733 OE1 GLN A 44 8.435 8.817 8.706 1.00 0.00 O ATOM 734 NE2 GLN A 44 8.161 10.198 7.035 1.00 0.00 N ATOM 0 H GLN A 44 4.966 6.512 8.253 1.00 0.00 H new ATOM 0 HA GLN A 44 6.006 6.023 5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.359 6.505 8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.220 6.453 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.793 8.304 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.871 8.333 7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.707 10.427 6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.835 10.844 7.445 1.00 0.00 H new ATOM 743 N LEU A 45 6.511 3.653 7.922 1.00 0.00 N ATOM 744 CA LEU A 45 6.786 2.222 8.040 1.00 0.00 C ATOM 745 C LEU A 45 5.807 1.445 7.188 1.00 0.00 C ATOM 746 O LEU A 45 6.189 0.516 6.462 1.00 0.00 O ATOM 747 CB LEU A 45 6.688 1.758 9.498 1.00 0.00 C ATOM 748 CG LEU A 45 8.017 2.019 10.222 1.00 0.00 C ATOM 749 CD1 LEU A 45 8.436 3.483 10.091 1.00 0.00 C ATOM 750 CD2 LEU A 45 7.871 1.661 11.699 1.00 0.00 C ATOM 0 H LEU A 45 6.222 4.105 8.790 1.00 0.00 H new ATOM 0 HA LEU A 45 7.803 2.038 7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.879 2.286 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.447 0.696 9.535 1.00 0.00 H new ATOM 0 HG LEU A 45 8.787 1.399 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.380 3.639 10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.558 3.734 9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.669 4.122 10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.814 1.846 12.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.088 2.273 12.146 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.607 0.608 11.794 1.00 0.00 H new ATOM 762 N ALA A 46 4.551 1.865 7.242 1.00 0.00 N ATOM 763 CA ALA A 46 3.508 1.256 6.446 1.00 0.00 C ATOM 764 C ALA A 46 3.832 1.437 4.982 1.00 0.00 C ATOM 765 O ALA A 46 3.743 0.498 4.194 1.00 0.00 O ATOM 766 CB ALA A 46 2.149 1.892 6.771 1.00 0.00 C ATOM 0 H ALA A 46 4.233 2.631 7.835 1.00 0.00 H new ATOM 0 HA ALA A 46 3.452 0.192 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.374 1.424 6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.922 1.745 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.185 2.959 6.553 1.00 0.00 H new ATOM 772 N LEU A 47 4.289 2.629 4.641 1.00 0.00 N ATOM 773 CA LEU A 47 4.709 2.921 3.290 1.00 0.00 C ATOM 774 C LEU A 47 5.901 2.061 2.907 1.00 0.00 C ATOM 775 O LEU A 47 5.920 1.490 1.831 1.00 0.00 O ATOM 776 CB LEU A 47 5.029 4.412 3.113 1.00 0.00 C ATOM 777 CG LEU A 47 3.731 5.241 3.195 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.075 6.730 3.236 1.00 0.00 C ATOM 779 CD2 LEU A 47 2.856 4.961 1.967 1.00 0.00 C ATOM 0 H LEU A 47 4.377 3.412 5.289 1.00 0.00 H new ATOM 0 HA LEU A 47 3.882 2.682 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.728 4.737 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.516 4.577 2.152 1.00 0.00 H new ATOM 0 HG LEU A 47 3.189 4.963 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.157 7.314 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.692 6.937 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.622 7.002 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.941 5.549 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.400 5.233 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.604 3.901 1.934 1.00 0.00 H new ATOM 791 N LYS A 48 6.865 1.897 3.816 1.00 0.00 N ATOM 792 CA LYS A 48 8.002 1.031 3.503 1.00 0.00 C ATOM 793 C LYS A 48 7.555 -0.403 3.280 1.00 0.00 C ATOM 794 O LYS A 48 7.924 -1.026 2.285 1.00 0.00 O ATOM 795 CB LYS A 48 9.072 1.061 4.604 1.00 0.00 C ATOM 796 CG LYS A 48 9.812 2.401 4.597 1.00 0.00 C ATOM 797 CD LYS A 48 10.890 2.383 5.690 1.00 0.00 C ATOM 798 CE LYS A 48 11.658 3.704 5.677 1.00 0.00 C ATOM 799 NZ LYS A 48 12.533 3.763 4.476 1.00 0.00 N ATOM 0 H LYS A 48 6.884 2.333 4.738 1.00 0.00 H new ATOM 0 HA LYS A 48 8.441 1.421 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.606 0.901 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.781 0.247 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.267 2.574 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.112 3.218 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.430 2.228 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.575 1.551 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.960 4.541 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.259 3.795 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.231 4.525 4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.027 2.855 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.953 3.951 3.633 1.00 0.00 H new ATOM 813 N ILE A 49 6.694 -0.908 4.151 1.00 0.00 N ATOM 814 CA ILE A 49 6.189 -2.253 3.953 1.00 0.00 C ATOM 815 C ILE A 49 5.273 -2.305 2.740 1.00 0.00 C ATOM 816 O ILE A 49 5.395 -3.197 1.908 1.00 0.00 O ATOM 817 CB ILE A 49 5.533 -2.829 5.224 1.00 0.00 C ATOM 818 CG1 ILE A 49 5.201 -4.314 5.014 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.271 -2.056 5.586 1.00 0.00 C ATOM 820 CD1 ILE A 49 4.811 -4.951 6.348 1.00 0.00 C ATOM 0 H ILE A 49 6.341 -0.423 4.976 1.00 0.00 H new ATOM 0 HA ILE A 49 7.039 -2.903 3.749 1.00 0.00 H new ATOM 0 HB ILE A 49 6.239 -2.731 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.384 -4.416 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.062 -4.832 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.828 -2.483 6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.524 -1.011 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.557 -2.120 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.576 -6.004 6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.641 -4.863 7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.937 -4.440 6.753 1.00 0.00 H new ATOM 832 N ALA A 50 4.436 -1.285 2.583 1.00 0.00 N ATOM 833 CA ALA A 50 3.596 -1.175 1.396 1.00 0.00 C ATOM 834 C ALA A 50 4.472 -1.016 0.166 1.00 0.00 C ATOM 835 O ALA A 50 4.171 -1.528 -0.900 1.00 0.00 O ATOM 836 CB ALA A 50 2.622 0.002 1.513 1.00 0.00 C ATOM 0 H ALA A 50 4.321 -0.528 3.257 1.00 0.00 H new ATOM 0 HA ALA A 50 3.005 -2.086 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.009 0.058 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.979 -0.143 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.184 0.929 1.628 1.00 0.00 H new ATOM 842 N TYR A 51 5.565 -0.317 0.324 1.00 0.00 N ATOM 843 CA TYR A 51 6.500 -0.146 -0.764 1.00 0.00 C ATOM 844 C TYR A 51 7.008 -1.520 -1.189 1.00 0.00 C ATOM 845 O TYR A 51 7.001 -1.860 -2.378 1.00 0.00 O ATOM 846 CB TYR A 51 7.671 0.736 -0.293 1.00 0.00 C ATOM 847 CG TYR A 51 8.720 0.865 -1.364 1.00 0.00 C ATOM 848 CD1 TYR A 51 8.573 1.819 -2.373 1.00 0.00 C ATOM 849 CD2 TYR A 51 9.844 0.037 -1.341 1.00 0.00 C ATOM 850 CE1 TYR A 51 9.557 1.945 -3.361 1.00 0.00 C ATOM 851 CE2 TYR A 51 10.822 0.165 -2.322 1.00 0.00 C ATOM 852 CZ TYR A 51 10.682 1.116 -3.335 1.00 0.00 C ATOM 853 OH TYR A 51 11.658 1.237 -4.303 1.00 0.00 O ATOM 0 H TYR A 51 5.832 0.144 1.194 1.00 0.00 H new ATOM 0 HA TYR A 51 6.015 0.339 -1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.300 1.725 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.115 0.306 0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.703 2.458 -2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.954 -0.703 -0.562 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.447 2.682 -4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.693 -0.473 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 51 12.369 0.585 -4.134 1.00 0.00 H new ATOM 863 N TYR A 52 7.423 -2.316 -0.213 1.00 0.00 N ATOM 864 CA TYR A 52 7.895 -3.670 -0.478 1.00 0.00 C ATOM 865 C TYR A 52 6.739 -4.622 -0.815 1.00 0.00 C ATOM 866 O TYR A 52 6.824 -5.421 -1.757 1.00 0.00 O ATOM 867 CB TYR A 52 8.671 -4.211 0.727 1.00 0.00 C ATOM 868 CG TYR A 52 9.903 -3.361 0.976 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.877 -3.230 -0.017 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.063 -2.699 2.199 1.00 0.00 C ATOM 871 CE1 TYR A 52 12.006 -2.441 0.215 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.187 -1.904 2.423 1.00 0.00 C ATOM 873 CZ TYR A 52 12.160 -1.779 1.433 1.00 0.00 C ATOM 874 OH TYR A 52 13.267 -0.989 1.656 1.00 0.00 O ATOM 0 H TYR A 52 7.443 -2.048 0.771 1.00 0.00 H new ATOM 0 HA TYR A 52 8.555 -3.618 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.033 -4.209 1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.963 -5.246 0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.757 -3.738 -0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.315 -2.804 2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.762 -2.343 -0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.303 -1.386 3.363 1.00 0.00 H new ATOM 0 HH TYR A 52 13.216 -0.601 2.554 1.00 0.00 H new ATOM 884 N LEU A 53 5.681 -4.552 -0.023 1.00 0.00 N ATOM 885 CA LEU A 53 4.530 -5.447 -0.160 1.00 0.00 C ATOM 886 C LEU A 53 3.526 -4.843 -1.133 1.00 0.00 C ATOM 887 O LEU A 53 3.160 -3.686 -1.007 1.00 0.00 O ATOM 888 CB LEU A 53 3.884 -5.632 1.225 1.00 0.00 C ATOM 889 CG LEU A 53 2.775 -6.689 1.182 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.386 -8.061 0.874 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.089 -6.745 2.551 1.00 0.00 C ATOM 0 H LEU A 53 5.590 -3.875 0.735 1.00 0.00 H new ATOM 0 HA LEU A 53 4.849 -6.415 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.645 -5.928 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.472 -4.683 1.567 1.00 0.00 H new ATOM 0 HG LEU A 53 2.052 -6.430 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.597 -8.812 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.891 -8.026 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.105 -8.322 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.298 -7.494 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.821 -7.010 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.660 -5.770 2.783 1.00 0.00 H new ATOM 903 N ASN A 54 3.143 -5.595 -2.154 1.00 0.00 N ATOM 904 CA ASN A 54 2.334 -5.015 -3.216 1.00 0.00 C ATOM 905 C ASN A 54 0.878 -4.823 -2.816 1.00 0.00 C ATOM 906 O ASN A 54 0.007 -5.630 -3.151 1.00 0.00 O ATOM 907 CB ASN A 54 2.436 -5.835 -4.505 1.00 0.00 C ATOM 908 CG ASN A 54 1.820 -5.064 -5.667 1.00 0.00 C ATOM 909 OD1 ASN A 54 0.802 -4.383 -5.501 1.00 0.00 O ATOM 910 ND2 ASN A 54 2.384 -5.108 -6.833 1.00 0.00 N ATOM 0 H ASN A 54 3.371 -6.582 -2.270 1.00 0.00 H new ATOM 0 HA ASN A 54 2.745 -4.022 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.481 -6.060 -4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.924 -6.789 -4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.988 -4.581 -7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.224 -5.669 -6.972 1.00 0.00 H new ATOM 917 N THR A 55 0.612 -3.698 -2.193 1.00 0.00 N ATOM 918 CA THR A 55 -0.739 -3.250 -1.898 1.00 0.00 C ATOM 919 C THR A 55 -0.690 -1.781 -1.485 1.00 0.00 C ATOM 920 O THR A 55 0.052 -1.425 -0.561 1.00 0.00 O ATOM 921 CB THR A 55 -1.396 -4.108 -0.810 1.00 0.00 C ATOM 922 OG1 THR A 55 -1.553 -5.450 -1.290 1.00 0.00 O ATOM 923 CG2 THR A 55 -2.777 -3.533 -0.476 1.00 0.00 C ATOM 0 H THR A 55 1.335 -3.055 -1.870 1.00 0.00 H new ATOM 0 HA THR A 55 -1.353 -3.359 -2.792 1.00 0.00 H new ATOM 0 HB THR A 55 -0.768 -4.107 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.351 -5.480 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.247 -4.141 0.297 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.668 -2.510 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.400 -3.539 -1.371 1.00 0.00 H new ATOM 931 N PRO A 56 -1.340 -0.908 -2.212 1.00 0.00 N ATOM 932 CA PRO A 56 -1.220 0.551 -1.910 1.00 0.00 C ATOM 933 C PRO A 56 -1.664 0.879 -0.483 1.00 0.00 C ATOM 934 O PRO A 56 -2.822 0.651 -0.106 1.00 0.00 O ATOM 935 CB PRO A 56 -2.155 1.209 -2.933 1.00 0.00 C ATOM 936 CG PRO A 56 -2.233 0.226 -4.051 1.00 0.00 C ATOM 937 CD PRO A 56 -2.208 -1.141 -3.386 1.00 0.00 C ATOM 0 HA PRO A 56 -0.190 0.901 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.139 1.403 -2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.761 2.167 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.144 0.364 -4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.395 0.345 -4.738 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.206 -1.469 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.801 -1.907 -4.047 1.00 0.00 H new ATOM 945 N LEU A 57 -0.796 1.568 0.236 1.00 0.00 N ATOM 946 CA LEU A 57 -1.118 2.086 1.551 1.00 0.00 C ATOM 947 C LEU A 57 -2.224 3.105 1.383 1.00 0.00 C ATOM 948 O LEU A 57 -3.164 3.182 2.172 1.00 0.00 O ATOM 949 CB LEU A 57 0.126 2.758 2.166 1.00 0.00 C ATOM 950 CG LEU A 57 0.058 2.766 3.711 1.00 0.00 C ATOM 951 CD1 LEU A 57 -1.267 3.342 4.208 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.223 1.343 4.247 1.00 0.00 C ATOM 0 H LEU A 57 0.151 1.783 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.437 1.281 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.023 2.231 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.208 3.781 1.799 1.00 0.00 H new ATOM 0 HG LEU A 57 0.867 3.398 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.282 3.333 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.375 4.367 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.091 2.738 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.174 1.356 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.575 0.712 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.188 0.945 3.932 1.00 0.00 H new ATOM 964 N GLU A 58 -2.095 3.882 0.329 1.00 0.00 N ATOM 965 CA GLU A 58 -3.027 4.941 0.037 1.00 0.00 C ATOM 966 C GLU A 58 -4.431 4.379 -0.169 1.00 0.00 C ATOM 967 O GLU A 58 -5.415 4.967 0.294 1.00 0.00 O ATOM 968 CB GLU A 58 -2.564 5.691 -1.207 1.00 0.00 C ATOM 969 CG GLU A 58 -1.245 6.414 -0.888 1.00 0.00 C ATOM 970 CD GLU A 58 -0.689 7.102 -2.117 1.00 0.00 C ATOM 971 OE1 GLU A 58 -1.368 7.147 -3.117 1.00 0.00 O ATOM 972 OE2 GLU A 58 0.418 7.577 -2.044 1.00 0.00 O ATOM 0 H GLU A 58 -1.338 3.794 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.062 5.630 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.423 4.997 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.322 6.409 -1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.411 7.149 -0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.517 5.698 -0.508 1.00 0.00 H new ATOM 979 N ASP A 59 -4.521 3.220 -0.818 1.00 0.00 N ATOM 980 CA ASP A 59 -5.815 2.566 -0.991 1.00 0.00 C ATOM 981 C ASP A 59 -6.397 2.181 0.352 1.00 0.00 C ATOM 982 O ASP A 59 -7.553 2.493 0.653 1.00 0.00 O ATOM 983 CB ASP A 59 -5.679 1.305 -1.852 1.00 0.00 C ATOM 984 CG ASP A 59 -6.998 0.558 -1.881 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.939 1.074 -2.432 1.00 0.00 O ATOM 986 OD2 ASP A 59 -7.051 -0.523 -1.336 1.00 0.00 O ATOM 0 H ASP A 59 -3.729 2.722 -1.226 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.478 3.273 -1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.382 1.576 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.895 0.662 -1.451 1.00 0.00 H new ATOM 991 N ILE A 60 -5.606 1.476 1.149 1.00 0.00 N ATOM 992 CA ILE A 60 -6.063 1.013 2.449 1.00 0.00 C ATOM 993 C ILE A 60 -6.214 2.164 3.444 1.00 0.00 C ATOM 994 O ILE A 60 -7.193 2.221 4.185 1.00 0.00 O ATOM 995 CB ILE A 60 -5.151 -0.114 2.985 1.00 0.00 C ATOM 996 CG1 ILE A 60 -5.797 -0.799 4.184 1.00 0.00 C ATOM 997 CG2 ILE A 60 -3.776 0.421 3.383 1.00 0.00 C ATOM 998 CD1 ILE A 60 -5.024 -2.081 4.487 1.00 0.00 C ATOM 0 H ILE A 60 -4.648 1.214 0.918 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.059 0.590 2.321 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.020 -0.838 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.786 -0.137 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.841 -1.028 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.161 -0.398 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.295 0.870 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.890 1.173 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.474 -2.583 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.059 -2.740 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.987 -1.835 4.715 1.00 0.00 H new ATOM 1010 N PHE A 61 -5.244 3.088 3.429 1.00 0.00 N ATOM 1011 CA PHE A 61 -5.223 4.274 4.314 1.00 0.00 C ATOM 1012 C PHE A 61 -5.979 4.057 5.626 1.00 0.00 C ATOM 1013 O PHE A 61 -6.671 4.962 6.119 1.00 0.00 O ATOM 1014 CB PHE A 61 -5.760 5.521 3.587 1.00 0.00 C ATOM 1015 CG PHE A 61 -4.745 6.643 3.695 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -4.402 7.167 4.948 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -4.150 7.156 2.543 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -3.463 8.200 5.040 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -3.214 8.185 2.634 1.00 0.00 C ATOM 1020 CZ PHE A 61 -2.869 8.710 3.883 1.00 0.00 C ATOM 0 H PHE A 61 -4.443 3.039 2.800 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.177 4.437 4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.953 5.290 2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.709 5.831 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.862 6.774 5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.415 6.754 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.197 8.603 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.755 8.577 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.145 9.508 3.953 1.00 0.00 H new