USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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 44 THR OG1 : rot 54:sc= 1.9 USER MOD Set 1.2: A 47 SER OG : rot -139:sc= 0.831! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0.0828 X(o=0.083,f=-0.048) USER MOD Single : A 5 GLN : amide:sc=-0.00767 X(o=-0.0077,f=0) USER MOD Single : A 6 TYR OH : rot 110:sc= -0.433 USER MOD Single : A 7 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 9 ASN : amide:sc= -0.945 X(o=-0.95,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0.112 (180deg=0.0334) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 25 ASN : amide:sc=-0.00268 X(o=-0.0027,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 165:sc= -4.43! USER MOD Single : A 41 ASN : amide:sc= -0.442 K(o=-0.44,f=-1.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -2:sc= 0.977 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.906 K(o=-0.91,f=-2.4!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -120:sc= -0.0162 (180deg=-0.318) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.088 F(o=-1.9!,f=-0.088) USER MOD Single : A 97 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.3!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.217 6.735 -22.754 1.00 0.00 N ATOM 2 CA MET A 1 -6.047 5.458 -22.003 1.00 0.00 C ATOM 3 C MET A 1 -5.410 5.730 -20.630 1.00 0.00 C ATOM 4 O MET A 1 -4.201 5.759 -20.503 1.00 0.00 O ATOM 5 CB MET A 1 -5.115 4.610 -22.868 1.00 0.00 C ATOM 6 CG MET A 1 -5.104 3.171 -22.350 1.00 0.00 C ATOM 7 SD MET A 1 -3.553 2.369 -22.827 1.00 0.00 S ATOM 8 CE MET A 1 -3.207 1.578 -21.237 1.00 0.00 C ATOM 0 H1 MET A 1 -6.648 6.539 -23.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.833 7.376 -22.214 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.288 7.183 -22.893 1.00 0.00 H new ATOM 0 HA MET A 1 -6.998 4.958 -21.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.446 4.631 -23.906 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.106 5.023 -22.847 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.211 3.163 -21.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.951 2.620 -22.758 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.275 1.017 -21.305 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.116 2.341 -20.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.021 0.899 -20.983 1.00 0.00 H new ATOM 20 N SER A 2 -6.211 5.929 -19.603 1.00 0.00 N ATOM 21 CA SER A 2 -5.639 6.197 -18.249 1.00 0.00 C ATOM 22 C SER A 2 -6.042 5.081 -17.273 1.00 0.00 C ATOM 23 O SER A 2 -6.977 4.344 -17.526 1.00 0.00 O ATOM 24 CB SER A 2 -6.247 7.531 -17.818 1.00 0.00 C ATOM 25 OG SER A 2 -7.577 7.316 -17.365 1.00 0.00 O ATOM 0 H SER A 2 -7.230 5.916 -19.649 1.00 0.00 H new ATOM 0 HA SER A 2 -4.550 6.231 -18.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.648 7.977 -17.024 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.244 8.232 -18.653 1.00 0.00 H new ATOM 0 HG SER A 2 -7.970 8.170 -17.086 1.00 0.00 H new ATOM 31 N GLN A 3 -5.349 4.945 -16.160 1.00 0.00 N ATOM 32 CA GLN A 3 -5.704 3.873 -15.183 1.00 0.00 C ATOM 33 C GLN A 3 -5.974 4.482 -13.796 1.00 0.00 C ATOM 34 O GLN A 3 -5.200 4.299 -12.875 1.00 0.00 O ATOM 35 CB GLN A 3 -4.483 2.953 -15.142 1.00 0.00 C ATOM 36 CG GLN A 3 -4.263 2.333 -16.522 1.00 0.00 C ATOM 37 CD GLN A 3 -5.357 1.293 -16.797 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.385 0.252 -16.170 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.267 1.527 -17.709 1.00 0.00 N ATOM 0 H GLN A 3 -4.558 5.530 -15.893 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.608 3.335 -15.471 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.600 3.517 -14.840 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.630 2.169 -14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.283 3.108 -17.288 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.280 1.864 -16.569 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.247 2.399 -18.237 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.996 0.837 -17.891 1.00 0.00 H new ATOM 48 N GLU A 4 -7.072 5.195 -13.634 1.00 0.00 N ATOM 49 CA GLU A 4 -7.379 5.795 -12.291 1.00 0.00 C ATOM 50 C GLU A 4 -8.263 4.836 -11.484 1.00 0.00 C ATOM 51 O GLU A 4 -8.075 4.677 -10.293 1.00 0.00 O ATOM 52 CB GLU A 4 -8.116 7.113 -12.566 1.00 0.00 C ATOM 53 CG GLU A 4 -7.906 8.070 -11.391 1.00 0.00 C ATOM 54 CD GLU A 4 -8.440 9.456 -11.760 1.00 0.00 C ATOM 55 OE1 GLU A 4 -7.851 10.086 -12.622 1.00 0.00 O ATOM 56 OE2 GLU A 4 -9.429 9.863 -11.173 1.00 0.00 O ATOM 0 H GLU A 4 -7.759 5.384 -14.364 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.474 5.971 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.746 7.564 -13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.180 6.924 -12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.420 7.694 -10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.846 8.131 -11.143 1.00 0.00 H new ATOM 63 N GLN A 5 -9.221 4.178 -12.118 1.00 0.00 N ATOM 64 CA GLN A 5 -10.094 3.211 -11.350 1.00 0.00 C ATOM 65 C GLN A 5 -9.207 2.194 -10.606 1.00 0.00 C ATOM 66 O GLN A 5 -9.488 1.834 -9.478 1.00 0.00 O ATOM 67 CB GLN A 5 -11.012 2.507 -12.374 1.00 0.00 C ATOM 68 CG GLN A 5 -10.183 1.680 -13.364 1.00 0.00 C ATOM 69 CD GLN A 5 -11.059 1.288 -14.561 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.360 0.126 -14.747 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.484 2.210 -15.391 1.00 0.00 N ATOM 0 H GLN A 5 -9.433 4.265 -13.112 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.699 3.727 -10.605 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.718 1.860 -11.853 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.599 3.249 -12.914 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.321 2.255 -13.703 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.797 0.786 -12.874 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.234 3.187 -15.239 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.065 1.950 -16.188 1.00 0.00 H new ATOM 80 N TYR A 6 -8.115 1.768 -11.211 1.00 0.00 N ATOM 81 CA TYR A 6 -7.194 0.821 -10.497 1.00 0.00 C ATOM 82 C TYR A 6 -6.455 1.605 -9.404 1.00 0.00 C ATOM 83 O TYR A 6 -6.261 1.121 -8.306 1.00 0.00 O ATOM 84 CB TYR A 6 -6.188 0.299 -11.536 1.00 0.00 C ATOM 85 CG TYR A 6 -6.824 -0.781 -12.374 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.642 -0.436 -13.456 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.589 -2.127 -12.075 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.227 -1.439 -14.238 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.172 -3.130 -12.856 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.992 -2.787 -13.938 1.00 0.00 C ATOM 91 OH TYR A 6 -8.567 -3.775 -14.709 1.00 0.00 O ATOM 0 H TYR A 6 -7.827 2.031 -12.153 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.735 -0.009 -10.043 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.855 1.117 -12.175 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.304 -0.093 -11.033 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.822 0.603 -13.688 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.957 -2.392 -11.240 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.859 -1.174 -15.072 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.990 -4.169 -12.625 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.873 -4.225 -15.235 1.00 0.00 H new ATOM 101 N THR A 7 -6.044 2.823 -9.704 1.00 0.00 N ATOM 102 CA THR A 7 -5.319 3.646 -8.676 1.00 0.00 C ATOM 103 C THR A 7 -6.220 3.871 -7.453 1.00 0.00 C ATOM 104 O THR A 7 -5.771 3.769 -6.326 1.00 0.00 O ATOM 105 CB THR A 7 -4.985 4.989 -9.355 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.129 4.756 -10.464 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.292 5.936 -8.369 1.00 0.00 C ATOM 0 H THR A 7 -6.179 3.277 -10.607 1.00 0.00 H new ATOM 0 HA THR A 7 -4.415 3.147 -8.328 1.00 0.00 H new ATOM 0 HB THR A 7 -5.913 5.451 -9.690 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.653 4.404 -11.213 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.065 6.878 -8.868 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.951 6.124 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.367 5.480 -8.016 1.00 0.00 H new ATOM 115 N GLU A 8 -7.485 4.172 -7.660 1.00 0.00 N ATOM 116 CA GLU A 8 -8.394 4.395 -6.478 1.00 0.00 C ATOM 117 C GLU A 8 -8.545 3.086 -5.701 1.00 0.00 C ATOM 118 O GLU A 8 -8.471 3.073 -4.486 1.00 0.00 O ATOM 119 CB GLU A 8 -9.752 4.853 -7.032 1.00 0.00 C ATOM 120 CG GLU A 8 -10.544 5.554 -5.927 1.00 0.00 C ATOM 121 CD GLU A 8 -11.945 5.894 -6.438 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.806 5.034 -6.362 1.00 0.00 O ATOM 123 OE2 GLU A 8 -12.133 7.009 -6.896 1.00 0.00 O ATOM 0 H GLU A 8 -7.923 4.272 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.990 5.147 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.604 5.530 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.311 3.996 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.612 4.910 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.028 6.463 -5.616 1.00 0.00 H new ATOM 130 N ASN A 9 -8.727 1.981 -6.388 1.00 0.00 N ATOM 131 CA ASN A 9 -8.847 0.672 -5.659 1.00 0.00 C ATOM 132 C ASN A 9 -7.480 0.308 -5.063 1.00 0.00 C ATOM 133 O ASN A 9 -7.396 -0.189 -3.955 1.00 0.00 O ATOM 134 CB ASN A 9 -9.282 -0.380 -6.692 1.00 0.00 C ATOM 135 CG ASN A 9 -10.728 -0.108 -7.123 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.012 0.918 -7.709 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.665 -0.987 -6.859 1.00 0.00 N ATOM 0 H ASN A 9 -8.797 1.926 -7.404 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.573 0.725 -4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.621 -0.349 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.201 -1.380 -6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.627 -0.808 -7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.431 -1.850 -6.367 1.00 0.00 H new ATOM 144 N LEU A 10 -6.404 0.564 -5.783 1.00 0.00 N ATOM 145 CA LEU A 10 -5.042 0.241 -5.232 1.00 0.00 C ATOM 146 C LEU A 10 -4.806 1.018 -3.933 1.00 0.00 C ATOM 147 O LEU A 10 -4.255 0.489 -2.987 1.00 0.00 O ATOM 148 CB LEU A 10 -4.019 0.677 -6.291 1.00 0.00 C ATOM 149 CG LEU A 10 -3.768 -0.475 -7.260 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.978 0.040 -8.464 1.00 0.00 C ATOM 151 CD2 LEU A 10 -2.968 -1.570 -6.550 1.00 0.00 C ATOM 0 H LEU A 10 -6.410 0.977 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.952 -0.823 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.389 1.548 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.086 0.972 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.720 -0.884 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.797 -0.781 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.548 0.821 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.025 0.447 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.787 -2.394 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.015 -1.163 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.532 -1.933 -5.691 1.00 0.00 H new ATOM 163 N LYS A 11 -5.219 2.270 -3.873 1.00 0.00 N ATOM 164 CA LYS A 11 -5.005 3.059 -2.606 1.00 0.00 C ATOM 165 C LYS A 11 -5.640 2.341 -1.404 1.00 0.00 C ATOM 166 O LYS A 11 -5.163 2.468 -0.291 1.00 0.00 O ATOM 167 CB LYS A 11 -5.665 4.432 -2.817 1.00 0.00 C ATOM 168 CG LYS A 11 -5.047 5.450 -1.855 1.00 0.00 C ATOM 169 CD LYS A 11 -5.901 5.543 -0.589 1.00 0.00 C ATOM 170 CE LYS A 11 -5.241 6.503 0.402 1.00 0.00 C ATOM 171 NZ LYS A 11 -5.635 7.863 -0.060 1.00 0.00 N ATOM 0 H LYS A 11 -5.685 2.771 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.941 3.164 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.527 4.759 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.739 4.361 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.030 5.153 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.982 6.427 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.903 5.893 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.011 4.557 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.584 6.317 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.157 6.385 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.152 8.580 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.364 7.983 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.664 7.977 0.035 1.00 0.00 H new ATOM 185 N VAL A 12 -6.692 1.572 -1.611 1.00 0.00 N ATOM 186 CA VAL A 12 -7.306 0.842 -0.452 1.00 0.00 C ATOM 187 C VAL A 12 -6.510 -0.443 -0.200 1.00 0.00 C ATOM 188 O VAL A 12 -6.209 -0.778 0.930 1.00 0.00 O ATOM 189 CB VAL A 12 -8.753 0.522 -0.855 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.432 -0.284 0.254 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.521 1.827 -1.076 1.00 0.00 C ATOM 0 H VAL A 12 -7.142 1.422 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.292 1.432 0.464 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.749 -0.062 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.458 -0.509 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.888 -1.215 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.435 0.297 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.548 1.601 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.521 2.410 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.042 2.401 -1.869 1.00 0.00 H new ATOM 201 N ILE A 13 -6.151 -1.153 -1.246 1.00 0.00 N ATOM 202 CA ILE A 13 -5.350 -2.409 -1.047 1.00 0.00 C ATOM 203 C ILE A 13 -3.930 -2.051 -0.570 1.00 0.00 C ATOM 204 O ILE A 13 -3.337 -2.786 0.198 1.00 0.00 O ATOM 205 CB ILE A 13 -5.309 -3.130 -2.407 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.746 -3.445 -2.860 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.516 -4.434 -2.273 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.926 -3.054 -4.330 1.00 0.00 C ATOM 0 H ILE A 13 -6.373 -0.923 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.796 -3.053 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.826 -2.489 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.953 -4.507 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.459 -2.902 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.488 -4.943 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.499 -4.210 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.996 -5.078 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.945 -3.280 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.737 -1.987 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.224 -3.617 -4.945 1.00 0.00 H new ATOM 220 N VAL A 14 -3.382 -0.924 -0.995 1.00 0.00 N ATOM 221 CA VAL A 14 -2.006 -0.549 -0.520 1.00 0.00 C ATOM 222 C VAL A 14 -2.087 -0.089 0.944 1.00 0.00 C ATOM 223 O VAL A 14 -1.239 -0.427 1.749 1.00 0.00 O ATOM 224 CB VAL A 14 -1.517 0.597 -1.420 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.092 0.991 -1.020 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.536 0.142 -2.890 1.00 0.00 C ATOM 0 H VAL A 14 -3.821 -0.263 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.317 -1.392 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.175 1.457 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.254 1.804 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.083 1.318 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.569 0.132 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.189 0.955 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.880 -0.720 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.552 -0.132 -3.173 1.00 0.00 H new ATOM 236 N ALA A 15 -3.111 0.664 1.306 1.00 0.00 N ATOM 237 CA ALA A 15 -3.231 1.113 2.739 1.00 0.00 C ATOM 238 C ALA A 15 -3.391 -0.112 3.659 1.00 0.00 C ATOM 239 O ALA A 15 -2.900 -0.117 4.773 1.00 0.00 O ATOM 240 CB ALA A 15 -4.481 2.004 2.824 1.00 0.00 C ATOM 0 H ALA A 15 -3.854 0.981 0.684 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.342 1.658 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.609 2.354 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.363 2.860 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.358 1.430 2.524 1.00 0.00 H new ATOM 246 N GLU A 16 -4.068 -1.157 3.208 1.00 0.00 N ATOM 247 CA GLU A 16 -4.241 -2.377 4.082 1.00 0.00 C ATOM 248 C GLU A 16 -2.872 -2.887 4.566 1.00 0.00 C ATOM 249 O GLU A 16 -2.738 -3.329 5.693 1.00 0.00 O ATOM 250 CB GLU A 16 -4.918 -3.448 3.212 1.00 0.00 C ATOM 251 CG GLU A 16 -5.293 -4.652 4.079 1.00 0.00 C ATOM 252 CD GLU A 16 -5.428 -5.895 3.197 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.489 -6.190 2.477 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.469 -6.529 3.256 1.00 0.00 O ATOM 0 H GLU A 16 -4.502 -1.217 2.287 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.839 -2.143 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.809 -3.036 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.247 -3.759 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.532 -4.815 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.231 -4.460 4.601 1.00 0.00 H new ATOM 261 N LYS A 17 -1.852 -2.822 3.732 1.00 0.00 N ATOM 262 CA LYS A 17 -0.497 -3.302 4.176 1.00 0.00 C ATOM 263 C LYS A 17 0.203 -2.198 4.983 1.00 0.00 C ATOM 264 O LYS A 17 0.827 -2.470 5.992 1.00 0.00 O ATOM 265 CB LYS A 17 0.296 -3.622 2.901 1.00 0.00 C ATOM 266 CG LYS A 17 1.341 -4.697 3.204 1.00 0.00 C ATOM 267 CD LYS A 17 0.715 -6.081 3.030 1.00 0.00 C ATOM 268 CE LYS A 17 0.160 -6.565 4.372 1.00 0.00 C ATOM 269 NZ LYS A 17 0.367 -8.040 4.362 1.00 0.00 N ATOM 0 H LYS A 17 -1.898 -2.463 2.778 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.573 -4.183 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.379 -3.967 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.783 -2.721 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.196 -4.586 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.714 -4.580 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.083 -6.040 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.460 -6.784 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.682 -6.098 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.896 -6.315 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.011 -8.447 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.147 -8.457 3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.382 -8.248 4.268 1.00 0.00 H new ATOM 283 N LEU A 18 0.100 -0.955 4.557 1.00 0.00 N ATOM 284 CA LEU A 18 0.764 0.153 5.332 1.00 0.00 C ATOM 285 C LEU A 18 0.091 0.289 6.704 1.00 0.00 C ATOM 286 O LEU A 18 0.747 0.237 7.728 1.00 0.00 O ATOM 287 CB LEU A 18 0.569 1.439 4.518 1.00 0.00 C ATOM 288 CG LEU A 18 1.387 1.351 3.233 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.740 2.225 2.157 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.812 1.837 3.506 1.00 0.00 C ATOM 0 H LEU A 18 -0.406 -0.662 3.721 1.00 0.00 H new ATOM 0 HA LEU A 18 1.823 -0.048 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.486 1.577 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.881 2.304 5.103 1.00 0.00 H new ATOM 0 HG LEU A 18 1.417 0.318 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.324 2.163 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.275 1.876 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.710 3.260 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.399 1.775 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.784 2.871 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.269 1.211 4.273 1.00 0.00 H new ATOM 302 N ALA A 19 -1.218 0.446 6.738 1.00 0.00 N ATOM 303 CA ALA A 19 -1.918 0.564 8.065 1.00 0.00 C ATOM 304 C ALA A 19 -1.685 -0.709 8.904 1.00 0.00 C ATOM 305 O ALA A 19 -1.715 -0.660 10.120 1.00 0.00 O ATOM 306 CB ALA A 19 -3.419 0.729 7.768 1.00 0.00 C ATOM 0 H ALA A 19 -1.823 0.497 5.918 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.535 1.413 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.968 0.819 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.575 1.626 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.779 -0.141 7.219 1.00 0.00 H new ATOM 312 N GLY A 20 -1.458 -1.853 8.275 1.00 0.00 N ATOM 313 CA GLY A 20 -1.235 -3.107 9.054 1.00 0.00 C ATOM 314 C GLY A 20 0.160 -3.096 9.701 1.00 0.00 C ATOM 315 O GLY A 20 0.333 -3.595 10.798 1.00 0.00 O ATOM 0 H GLY A 20 -1.420 -1.961 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.999 -3.204 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.332 -3.972 8.398 1.00 0.00 H new ATOM 319 N ILE A 21 1.164 -2.541 9.042 1.00 0.00 N ATOM 320 CA ILE A 21 2.539 -2.530 9.666 1.00 0.00 C ATOM 321 C ILE A 21 2.495 -1.739 10.991 1.00 0.00 C ATOM 322 O ILE A 21 1.935 -0.662 11.036 1.00 0.00 O ATOM 323 CB ILE A 21 3.485 -1.848 8.655 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.519 -2.665 7.356 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.904 -1.762 9.237 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.633 -1.722 6.153 1.00 0.00 C ATOM 0 H ILE A 21 1.094 -2.106 8.122 1.00 0.00 H new ATOM 0 HA ILE A 21 2.886 -3.539 9.890 1.00 0.00 H new ATOM 0 HB ILE A 21 3.120 -0.842 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.363 -3.354 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.616 -3.269 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.564 -1.279 8.516 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.885 -1.180 10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.271 -2.766 9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.657 -2.307 5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.774 -1.051 6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.549 -1.137 6.235 1.00 0.00 H new ATOM 338 N PRO A 22 3.083 -2.293 12.036 1.00 0.00 N ATOM 339 CA PRO A 22 3.081 -1.598 13.349 1.00 0.00 C ATOM 340 C PRO A 22 4.055 -0.411 13.333 1.00 0.00 C ATOM 341 O PRO A 22 3.751 0.649 13.847 1.00 0.00 O ATOM 342 CB PRO A 22 3.551 -2.670 14.328 1.00 0.00 C ATOM 343 CG PRO A 22 4.346 -3.629 13.504 1.00 0.00 C ATOM 344 CD PRO A 22 3.790 -3.585 12.105 1.00 0.00 C ATOM 0 HA PRO A 22 2.106 -1.187 13.610 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.157 -2.238 15.124 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.706 -3.166 14.804 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.401 -3.355 13.507 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.277 -4.637 13.914 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.583 -3.645 11.359 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.114 -4.419 11.919 1.00 0.00 H new ATOM 352 N ASN A 23 5.223 -0.576 12.746 1.00 0.00 N ATOM 353 CA ASN A 23 6.210 0.565 12.705 1.00 0.00 C ATOM 354 C ASN A 23 5.576 1.791 12.030 1.00 0.00 C ATOM 355 O ASN A 23 5.776 2.912 12.461 1.00 0.00 O ATOM 356 CB ASN A 23 7.418 0.079 11.889 1.00 0.00 C ATOM 357 CG ASN A 23 8.354 -0.732 12.793 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.975 -1.770 13.298 1.00 0.00 O ATOM 359 ND2 ASN A 23 9.572 -0.305 13.026 1.00 0.00 N ATOM 0 H ASN A 23 5.535 -1.438 12.299 1.00 0.00 H new ATOM 0 HA ASN A 23 6.509 0.858 13.711 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.082 -0.534 11.052 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.951 0.931 11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.195 -0.844 13.628 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.896 0.566 12.605 1.00 0.00 H new ATOM 366 N PHE A 24 4.809 1.591 10.977 1.00 0.00 N ATOM 367 CA PHE A 24 4.166 2.772 10.291 1.00 0.00 C ATOM 368 C PHE A 24 3.228 3.490 11.275 1.00 0.00 C ATOM 369 O PHE A 24 2.200 2.959 11.652 1.00 0.00 O ATOM 370 CB PHE A 24 3.358 2.231 9.087 1.00 0.00 C ATOM 371 CG PHE A 24 3.998 2.687 7.795 1.00 0.00 C ATOM 372 CD1 PHE A 24 3.670 3.937 7.256 1.00 0.00 C ATOM 373 CD2 PHE A 24 4.917 1.860 7.138 1.00 0.00 C ATOM 374 CE1 PHE A 24 4.260 4.360 6.060 1.00 0.00 C ATOM 375 CE2 PHE A 24 5.507 2.284 5.941 1.00 0.00 C ATOM 376 CZ PHE A 24 5.179 3.533 5.402 1.00 0.00 C ATOM 0 H PHE A 24 4.602 0.680 10.567 1.00 0.00 H new ATOM 0 HA PHE A 24 4.920 3.482 9.953 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.322 1.142 9.121 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.329 2.586 9.139 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.961 4.575 7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.171 0.896 7.554 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.007 5.324 5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.216 1.647 5.433 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.634 3.859 4.479 1.00 0.00 H new ATOM 386 N ASN A 25 3.568 4.693 11.692 1.00 0.00 N ATOM 387 CA ASN A 25 2.684 5.431 12.648 1.00 0.00 C ATOM 388 C ASN A 25 2.015 6.616 11.936 1.00 0.00 C ATOM 389 O ASN A 25 0.804 6.743 11.945 1.00 0.00 O ATOM 390 CB ASN A 25 3.612 5.928 13.761 1.00 0.00 C ATOM 391 CG ASN A 25 2.890 5.828 15.111 1.00 0.00 C ATOM 392 OD1 ASN A 25 3.401 5.229 16.037 1.00 0.00 O ATOM 393 ND2 ASN A 25 1.718 6.393 15.270 1.00 0.00 N ATOM 0 H ASN A 25 4.414 5.189 11.412 1.00 0.00 H new ATOM 0 HA ASN A 25 1.887 4.800 13.042 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.525 5.334 13.780 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.907 6.960 13.570 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.239 6.329 16.168 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.285 6.897 14.496 1.00 0.00 H new ATOM 400 N GLU A 26 2.788 7.482 11.310 1.00 0.00 N ATOM 401 CA GLU A 26 2.181 8.646 10.597 1.00 0.00 C ATOM 402 C GLU A 26 2.440 8.528 9.087 1.00 0.00 C ATOM 403 O GLU A 26 3.138 7.637 8.645 1.00 0.00 O ATOM 404 CB GLU A 26 2.888 9.877 11.170 1.00 0.00 C ATOM 405 CG GLU A 26 1.885 11.026 11.299 1.00 0.00 C ATOM 406 CD GLU A 26 2.331 11.968 12.419 1.00 0.00 C ATOM 407 OE1 GLU A 26 2.127 11.624 13.572 1.00 0.00 O ATOM 408 OE2 GLU A 26 2.867 13.018 12.106 1.00 0.00 O ATOM 0 H GLU A 26 3.806 7.428 11.266 1.00 0.00 H new ATOM 0 HA GLU A 26 1.101 8.700 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.317 9.643 12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.713 10.171 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.816 11.570 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.891 10.633 11.514 1.00 0.00 H new ATOM 415 N ASP A 27 1.882 9.418 8.286 1.00 0.00 N ATOM 416 CA ASP A 27 2.099 9.351 6.802 1.00 0.00 C ATOM 417 C ASP A 27 1.760 7.949 6.262 1.00 0.00 C ATOM 418 O ASP A 27 2.514 7.381 5.497 1.00 0.00 O ATOM 419 CB ASP A 27 3.585 9.662 6.592 1.00 0.00 C ATOM 420 CG ASP A 27 3.759 11.155 6.308 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.018 11.937 6.879 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.631 11.490 5.523 1.00 0.00 O ATOM 0 H ASP A 27 1.287 10.185 8.599 1.00 0.00 H new ATOM 0 HA ASP A 27 1.457 10.054 6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.155 9.381 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.976 9.075 5.761 1.00 0.00 H new ATOM 427 N ILE A 28 0.633 7.387 6.652 1.00 0.00 N ATOM 428 CA ILE A 28 0.262 6.022 6.146 1.00 0.00 C ATOM 429 C ILE A 28 -0.745 6.122 4.983 1.00 0.00 C ATOM 430 O ILE A 28 -0.708 5.317 4.072 1.00 0.00 O ATOM 431 CB ILE A 28 -0.309 5.262 7.368 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.414 3.752 7.061 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.682 5.816 7.779 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.487 3.465 5.996 1.00 0.00 C ATOM 0 H ILE A 28 -0.038 7.811 7.292 1.00 0.00 H new ATOM 0 HA ILE A 28 1.119 5.488 5.735 1.00 0.00 H new ATOM 0 HB ILE A 28 0.377 5.408 8.202 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.551 3.382 6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.654 3.210 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.055 5.261 8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.586 6.870 8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.380 5.711 6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.533 2.393 5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.457 3.812 6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.233 3.987 5.073 1.00 0.00 H new ATOM 446 N LYS A 29 -1.626 7.100 4.982 1.00 0.00 N ATOM 447 CA LYS A 29 -2.590 7.222 3.836 1.00 0.00 C ATOM 448 C LYS A 29 -1.893 7.950 2.678 1.00 0.00 C ATOM 449 O LYS A 29 -2.065 7.592 1.527 1.00 0.00 O ATOM 450 CB LYS A 29 -3.790 8.033 4.347 1.00 0.00 C ATOM 451 CG LYS A 29 -4.780 7.096 5.042 1.00 0.00 C ATOM 452 CD LYS A 29 -5.930 7.915 5.632 1.00 0.00 C ATOM 453 CE LYS A 29 -5.593 8.309 7.072 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.909 8.576 7.715 1.00 0.00 N ATOM 0 H LYS A 29 -1.719 7.807 5.711 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.922 6.248 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.453 8.803 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.278 8.544 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.167 6.366 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.276 6.537 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.100 8.808 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.852 7.335 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.058 7.510 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.953 9.191 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.761 8.853 8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.393 9.345 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.494 7.717 7.679 1.00 0.00 H new ATOM 468 N TYR A 30 -1.087 8.954 2.970 1.00 0.00 N ATOM 469 CA TYR A 30 -0.367 9.671 1.864 1.00 0.00 C ATOM 470 C TYR A 30 0.733 8.772 1.270 1.00 0.00 C ATOM 471 O TYR A 30 1.062 8.897 0.104 1.00 0.00 O ATOM 472 CB TYR A 30 0.253 10.935 2.481 1.00 0.00 C ATOM 473 CG TYR A 30 -0.840 11.795 3.069 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.907 12.217 2.267 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.785 12.171 4.417 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.919 13.015 2.813 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.798 12.969 4.962 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.865 13.391 4.161 1.00 0.00 C ATOM 479 OH TYR A 30 -3.863 14.177 4.698 1.00 0.00 O ATOM 0 H TYR A 30 -0.901 9.301 3.911 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.053 9.928 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.971 10.661 3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.800 11.493 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.949 11.927 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.038 11.846 5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.742 13.341 2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.756 13.259 6.001 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.673 14.345 5.645 1.00 0.00 H new ATOM 489 N VAL A 31 1.306 7.863 2.044 1.00 0.00 N ATOM 490 CA VAL A 31 2.377 6.977 1.466 1.00 0.00 C ATOM 491 C VAL A 31 1.766 5.946 0.490 1.00 0.00 C ATOM 492 O VAL A 31 2.427 5.517 -0.438 1.00 0.00 O ATOM 493 CB VAL A 31 3.102 6.302 2.661 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.272 5.153 3.244 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.453 5.758 2.187 1.00 0.00 C ATOM 0 H VAL A 31 1.083 7.701 3.026 1.00 0.00 H new ATOM 0 HA VAL A 31 3.094 7.552 0.880 1.00 0.00 H new ATOM 0 HB VAL A 31 3.243 7.050 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.809 4.703 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.314 5.537 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.101 4.400 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.967 5.283 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.293 5.026 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.062 6.578 1.806 1.00 0.00 H new ATOM 505 N ALA A 32 0.514 5.555 0.669 1.00 0.00 N ATOM 506 CA ALA A 32 -0.096 4.568 -0.293 1.00 0.00 C ATOM 507 C ALA A 32 -0.374 5.266 -1.632 1.00 0.00 C ATOM 508 O ALA A 32 -0.166 4.692 -2.684 1.00 0.00 O ATOM 509 CB ALA A 32 -1.408 4.079 0.341 1.00 0.00 C ATOM 0 H ALA A 32 -0.097 5.870 1.422 1.00 0.00 H new ATOM 0 HA ALA A 32 0.573 3.728 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.887 3.359 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.194 3.603 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.074 4.927 0.498 1.00 0.00 H new ATOM 515 N GLU A 33 -0.829 6.506 -1.608 1.00 0.00 N ATOM 516 CA GLU A 33 -1.098 7.227 -2.907 1.00 0.00 C ATOM 517 C GLU A 33 0.195 7.288 -3.731 1.00 0.00 C ATOM 518 O GLU A 33 0.187 7.042 -4.923 1.00 0.00 O ATOM 519 CB GLU A 33 -1.566 8.646 -2.545 1.00 0.00 C ATOM 520 CG GLU A 33 -2.892 8.567 -1.784 1.00 0.00 C ATOM 521 CD GLU A 33 -3.736 9.804 -2.102 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.173 10.885 -2.144 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.929 9.647 -2.296 1.00 0.00 O ATOM 0 H GLU A 33 -1.023 7.042 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.856 6.714 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.813 9.144 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.688 9.242 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.432 7.663 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.705 8.506 -0.712 1.00 0.00 H new ATOM 530 N TYR A 34 1.313 7.585 -3.101 1.00 0.00 N ATOM 531 CA TYR A 34 2.608 7.622 -3.867 1.00 0.00 C ATOM 532 C TYR A 34 2.940 6.202 -4.345 1.00 0.00 C ATOM 533 O TYR A 34 3.378 6.005 -5.462 1.00 0.00 O ATOM 534 CB TYR A 34 3.687 8.139 -2.892 1.00 0.00 C ATOM 535 CG TYR A 34 5.065 8.160 -3.541 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.218 8.305 -4.934 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.201 8.048 -2.729 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.498 8.336 -5.498 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.479 8.083 -3.296 1.00 0.00 C ATOM 540 CZ TYR A 34 7.628 8.227 -4.680 1.00 0.00 C ATOM 541 OH TYR A 34 8.889 8.265 -5.237 1.00 0.00 O ATOM 0 H TYR A 34 1.386 7.800 -2.107 1.00 0.00 H new ATOM 0 HA TYR A 34 2.550 8.270 -4.741 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.426 9.143 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.711 7.505 -2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.347 8.392 -5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.089 7.934 -1.661 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.614 8.444 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.352 7.999 -2.665 1.00 0.00 H new ATOM 0 HH TYR A 34 9.553 8.418 -4.533 1.00 0.00 H new ATOM 551 N ILE A 35 2.708 5.203 -3.513 1.00 0.00 N ATOM 552 CA ILE A 35 2.989 3.787 -3.944 1.00 0.00 C ATOM 553 C ILE A 35 2.127 3.464 -5.178 1.00 0.00 C ATOM 554 O ILE A 35 2.619 2.948 -6.164 1.00 0.00 O ATOM 555 CB ILE A 35 2.619 2.895 -2.737 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.650 3.120 -1.627 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.617 1.416 -3.129 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.105 2.588 -0.302 1.00 0.00 C ATOM 0 H ILE A 35 2.341 5.305 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 35 4.030 3.625 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 35 1.619 3.161 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.583 2.615 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.877 4.182 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.354 0.810 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.888 1.251 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.608 1.132 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.841 2.750 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.183 3.113 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.901 1.521 -0.394 1.00 0.00 H new ATOM 570 N VAL A 36 0.851 3.795 -5.143 1.00 0.00 N ATOM 571 CA VAL A 36 -0.021 3.529 -6.344 1.00 0.00 C ATOM 572 C VAL A 36 0.507 4.350 -7.530 1.00 0.00 C ATOM 573 O VAL A 36 0.594 3.857 -8.639 1.00 0.00 O ATOM 574 CB VAL A 36 -1.446 3.975 -5.966 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.384 3.802 -7.165 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.950 3.116 -4.804 1.00 0.00 C ATOM 0 H VAL A 36 0.381 4.231 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.018 2.477 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.428 5.025 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.390 4.120 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.027 4.409 -7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.404 2.754 -7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.959 3.427 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.962 2.068 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.289 3.240 -3.947 1.00 0.00 H new ATOM 586 N LEU A 37 0.882 5.596 -7.303 1.00 0.00 N ATOM 587 CA LEU A 37 1.430 6.427 -8.437 1.00 0.00 C ATOM 588 C LEU A 37 2.667 5.725 -9.016 1.00 0.00 C ATOM 589 O LEU A 37 2.833 5.649 -10.218 1.00 0.00 O ATOM 590 CB LEU A 37 1.817 7.794 -7.847 1.00 0.00 C ATOM 591 CG LEU A 37 1.674 8.872 -8.923 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.276 9.487 -8.847 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.723 9.962 -8.692 1.00 0.00 C ATOM 0 H LEU A 37 0.834 6.066 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 37 0.699 6.553 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.179 8.028 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.843 7.766 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 37 1.821 8.426 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.174 10.255 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.472 8.711 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.128 9.934 -7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.623 10.731 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.574 10.407 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.720 9.525 -8.745 1.00 0.00 H new ATOM 605 N LEU A 38 3.519 5.172 -8.172 1.00 0.00 N ATOM 606 CA LEU A 38 4.714 4.434 -8.713 1.00 0.00 C ATOM 607 C LEU A 38 4.205 3.213 -9.502 1.00 0.00 C ATOM 608 O LEU A 38 4.707 2.895 -10.562 1.00 0.00 O ATOM 609 CB LEU A 38 5.548 3.977 -7.505 1.00 0.00 C ATOM 610 CG LEU A 38 6.111 5.198 -6.776 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.719 4.760 -5.442 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.195 5.849 -7.638 1.00 0.00 C ATOM 0 H LEU A 38 3.441 5.199 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 38 5.319 5.058 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.931 3.389 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.362 3.332 -7.836 1.00 0.00 H new ATOM 0 HG LEU A 38 5.310 5.914 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.120 5.630 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.950 4.293 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.521 4.045 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.598 6.720 -7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.996 5.132 -7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.765 6.160 -8.590 1.00 0.00 H new ATOM 624 N ILE A 39 3.190 2.539 -8.990 1.00 0.00 N ATOM 625 CA ILE A 39 2.624 1.346 -9.717 1.00 0.00 C ATOM 626 C ILE A 39 2.006 1.808 -11.047 1.00 0.00 C ATOM 627 O ILE A 39 2.260 1.228 -12.087 1.00 0.00 O ATOM 628 CB ILE A 39 1.539 0.760 -8.780 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.211 0.165 -7.525 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.698 -0.310 -9.499 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.945 -1.141 -7.863 1.00 0.00 C ATOM 0 H ILE A 39 2.733 2.763 -8.106 1.00 0.00 H new ATOM 0 HA ILE A 39 3.384 0.600 -9.949 1.00 0.00 H new ATOM 0 HB ILE A 39 0.864 1.563 -8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.915 0.885 -7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.458 -0.024 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.055 -0.702 -8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.206 0.135 -10.364 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.347 -1.122 -9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.410 -1.541 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.233 -1.867 -8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.713 -0.944 -8.611 1.00 0.00 H new ATOM 643 N VAL A 40 1.198 2.846 -11.024 1.00 0.00 N ATOM 644 CA VAL A 40 0.574 3.332 -12.305 1.00 0.00 C ATOM 645 C VAL A 40 1.627 3.998 -13.230 1.00 0.00 C ATOM 646 O VAL A 40 1.362 4.218 -14.398 1.00 0.00 O ATOM 647 CB VAL A 40 -0.559 4.320 -11.900 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.021 5.739 -11.649 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.607 4.365 -13.016 1.00 0.00 C ATOM 0 H VAL A 40 0.945 3.372 -10.188 1.00 0.00 H new ATOM 0 HA VAL A 40 0.165 2.502 -12.882 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.002 3.963 -10.970 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.844 6.396 -11.369 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.712 5.713 -10.843 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.451 6.115 -12.557 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.404 5.055 -12.739 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.139 4.703 -13.941 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.025 3.369 -13.163 1.00 0.00 H new ATOM 659 N ASN A 41 2.808 4.331 -12.730 1.00 0.00 N ATOM 660 CA ASN A 41 3.831 4.985 -13.610 1.00 0.00 C ATOM 661 C ASN A 41 4.878 3.981 -14.126 1.00 0.00 C ATOM 662 O ASN A 41 5.471 4.207 -15.166 1.00 0.00 O ATOM 663 CB ASN A 41 4.503 6.059 -12.745 1.00 0.00 C ATOM 664 CG ASN A 41 3.627 7.316 -12.714 1.00 0.00 C ATOM 665 OD1 ASN A 41 2.934 7.606 -13.671 1.00 0.00 O ATOM 666 ND2 ASN A 41 3.622 8.085 -11.653 1.00 0.00 N ATOM 0 H ASN A 41 3.097 4.178 -11.764 1.00 0.00 H new ATOM 0 HA ASN A 41 3.357 5.407 -14.496 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.654 5.683 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.488 6.299 -13.146 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.039 8.922 -11.632 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.201 7.847 -10.848 1.00 0.00 H new ATOM 673 N GLY A 42 5.130 2.887 -13.430 1.00 0.00 N ATOM 674 CA GLY A 42 6.158 1.921 -13.935 1.00 0.00 C ATOM 675 C GLY A 42 5.771 0.487 -13.558 1.00 0.00 C ATOM 676 O GLY A 42 5.515 -0.334 -14.419 1.00 0.00 O ATOM 0 H GLY A 42 4.676 2.630 -12.553 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.248 2.008 -15.018 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.133 2.164 -13.514 1.00 0.00 H new ATOM 680 N GLY A 43 5.732 0.175 -12.282 1.00 0.00 N ATOM 681 CA GLY A 43 5.369 -1.207 -11.862 1.00 0.00 C ATOM 682 C GLY A 43 6.643 -2.045 -11.667 1.00 0.00 C ATOM 683 O GLY A 43 6.677 -3.213 -12.008 1.00 0.00 O ATOM 0 H GLY A 43 5.936 0.820 -11.519 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.798 -1.176 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.730 -1.669 -12.615 1.00 0.00 H new ATOM 687 N THR A 44 7.683 -1.470 -11.100 1.00 0.00 N ATOM 688 CA THR A 44 8.937 -2.240 -10.862 1.00 0.00 C ATOM 689 C THR A 44 9.238 -2.236 -9.353 1.00 0.00 C ATOM 690 O THR A 44 9.510 -1.200 -8.779 1.00 0.00 O ATOM 691 CB THR A 44 10.013 -1.491 -11.648 1.00 0.00 C ATOM 692 OG1 THR A 44 9.838 -0.091 -11.465 1.00 0.00 O ATOM 693 CG2 THR A 44 9.883 -1.835 -13.136 1.00 0.00 C ATOM 0 H THR A 44 7.710 -0.498 -10.793 1.00 0.00 H new ATOM 0 HA THR A 44 8.877 -3.281 -11.179 1.00 0.00 H new ATOM 0 HB THR A 44 11.001 -1.783 -11.293 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.820 0.114 -10.507 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.649 -1.303 -13.701 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.011 -2.909 -13.274 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.897 -1.538 -13.493 1.00 0.00 H new ATOM 701 N VAL A 45 9.163 -3.378 -8.695 1.00 0.00 N ATOM 702 CA VAL A 45 9.416 -3.406 -7.201 1.00 0.00 C ATOM 703 C VAL A 45 10.745 -2.711 -6.842 1.00 0.00 C ATOM 704 O VAL A 45 10.847 -2.094 -5.799 1.00 0.00 O ATOM 705 CB VAL A 45 9.440 -4.895 -6.773 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.873 -5.021 -5.305 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.037 -5.493 -6.915 1.00 0.00 C ATOM 0 H VAL A 45 8.941 -4.280 -9.116 1.00 0.00 H new ATOM 0 HA VAL A 45 8.631 -2.863 -6.674 1.00 0.00 H new ATOM 0 HB VAL A 45 10.146 -5.426 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.885 -6.073 -5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.871 -4.600 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.171 -4.480 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.056 -6.540 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.342 -4.945 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.714 -5.420 -7.953 1.00 0.00 H new ATOM 717 N GLU A 46 11.756 -2.801 -7.675 1.00 0.00 N ATOM 718 CA GLU A 46 13.055 -2.129 -7.317 1.00 0.00 C ATOM 719 C GLU A 46 12.886 -0.611 -7.392 1.00 0.00 C ATOM 720 O GLU A 46 13.063 0.078 -6.404 1.00 0.00 O ATOM 721 CB GLU A 46 14.107 -2.610 -8.328 1.00 0.00 C ATOM 722 CG GLU A 46 15.478 -2.670 -7.648 1.00 0.00 C ATOM 723 CD GLU A 46 16.214 -1.348 -7.866 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.440 -0.999 -9.013 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.540 -0.705 -6.881 1.00 0.00 O ATOM 0 H GLU A 46 11.745 -3.297 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 46 13.365 -2.379 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.836 -3.594 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.142 -1.934 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.359 -2.860 -6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.062 -3.495 -8.056 1.00 0.00 H new ATOM 732 N SER A 47 12.525 -0.079 -8.540 1.00 0.00 N ATOM 733 CA SER A 47 12.330 1.411 -8.624 1.00 0.00 C ATOM 734 C SER A 47 11.174 1.822 -7.698 1.00 0.00 C ATOM 735 O SER A 47 11.225 2.860 -7.069 1.00 0.00 O ATOM 736 CB SER A 47 11.996 1.743 -10.085 1.00 0.00 C ATOM 737 OG SER A 47 10.584 1.710 -10.267 1.00 0.00 O ATOM 0 H SER A 47 12.360 -0.596 -9.404 1.00 0.00 H new ATOM 0 HA SER A 47 13.224 1.950 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.384 2.728 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.476 1.026 -10.751 1.00 0.00 H new ATOM 0 HG SER A 47 10.374 1.277 -11.121 1.00 0.00 H new ATOM 743 N VAL A 48 10.138 1.010 -7.595 1.00 0.00 N ATOM 744 CA VAL A 48 8.998 1.377 -6.687 1.00 0.00 C ATOM 745 C VAL A 48 9.471 1.350 -5.229 1.00 0.00 C ATOM 746 O VAL A 48 9.220 2.280 -4.489 1.00 0.00 O ATOM 747 CB VAL A 48 7.873 0.343 -6.923 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.703 0.613 -5.969 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.371 0.456 -8.365 1.00 0.00 C ATOM 0 H VAL A 48 10.035 0.125 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 48 8.631 2.382 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 48 8.268 -0.656 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.915 -0.120 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.049 0.537 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.312 1.615 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.578 -0.273 -8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.984 1.460 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.194 0.261 -9.053 1.00 0.00 H new ATOM 759 N VAL A 49 10.166 0.313 -4.808 1.00 0.00 N ATOM 760 CA VAL A 49 10.646 0.291 -3.380 1.00 0.00 C ATOM 761 C VAL A 49 11.716 1.379 -3.188 1.00 0.00 C ATOM 762 O VAL A 49 11.758 2.030 -2.161 1.00 0.00 O ATOM 763 CB VAL A 49 11.218 -1.117 -3.116 1.00 0.00 C ATOM 764 CG1 VAL A 49 11.856 -1.178 -1.722 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.083 -2.141 -3.185 1.00 0.00 C ATOM 0 H VAL A 49 10.417 -0.499 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 49 9.839 0.497 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 49 11.975 -1.339 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.256 -2.177 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.663 -0.448 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.103 -0.952 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.481 -3.139 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.332 -1.904 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.626 -2.111 -4.174 1.00 0.00 H new ATOM 775 N ASP A 50 12.569 1.595 -4.169 1.00 0.00 N ATOM 776 CA ASP A 50 13.617 2.667 -4.017 1.00 0.00 C ATOM 777 C ASP A 50 12.946 4.034 -3.802 1.00 0.00 C ATOM 778 O ASP A 50 13.451 4.860 -3.063 1.00 0.00 O ATOM 779 CB ASP A 50 14.437 2.678 -5.317 1.00 0.00 C ATOM 780 CG ASP A 50 15.804 3.311 -5.053 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.350 3.072 -3.988 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.283 4.025 -5.919 1.00 0.00 O ATOM 0 H ASP A 50 12.587 1.086 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 50 14.256 2.470 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.561 1.661 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.908 3.238 -6.088 1.00 0.00 H new ATOM 787 N GLU A 51 11.816 4.288 -4.437 1.00 0.00 N ATOM 788 CA GLU A 51 11.142 5.623 -4.241 1.00 0.00 C ATOM 789 C GLU A 51 10.630 5.753 -2.799 1.00 0.00 C ATOM 790 O GLU A 51 10.728 6.812 -2.206 1.00 0.00 O ATOM 791 CB GLU A 51 9.969 5.697 -5.238 1.00 0.00 C ATOM 792 CG GLU A 51 10.404 6.491 -6.473 1.00 0.00 C ATOM 793 CD GLU A 51 10.917 5.533 -7.548 1.00 0.00 C ATOM 794 OE1 GLU A 51 12.078 5.165 -7.480 1.00 0.00 O ATOM 795 OE2 GLU A 51 10.140 5.184 -8.422 1.00 0.00 O ATOM 0 H GLU A 51 11.340 3.644 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 51 11.844 6.438 -4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.659 4.693 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.108 6.174 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.565 7.070 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.185 7.202 -6.203 1.00 0.00 H new ATOM 802 N LEU A 52 10.104 4.695 -2.218 1.00 0.00 N ATOM 803 CA LEU A 52 9.619 4.800 -0.799 1.00 0.00 C ATOM 804 C LEU A 52 10.832 4.880 0.130 1.00 0.00 C ATOM 805 O LEU A 52 10.852 5.665 1.053 1.00 0.00 O ATOM 806 CB LEU A 52 8.798 3.531 -0.478 1.00 0.00 C ATOM 807 CG LEU A 52 7.352 3.634 -1.002 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.685 4.933 -0.533 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.355 3.579 -2.528 1.00 0.00 C ATOM 0 H LEU A 52 9.991 3.780 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 52 9.001 5.687 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.284 2.662 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.783 3.371 0.600 1.00 0.00 H new ATOM 0 HG LEU A 52 6.782 2.795 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.666 4.978 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.663 4.958 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.251 5.787 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.332 3.652 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.942 4.409 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.793 2.637 -2.857 1.00 0.00 H new ATOM 821 N ALA A 53 11.851 4.082 -0.113 1.00 0.00 N ATOM 822 CA ALA A 53 13.066 4.144 0.772 1.00 0.00 C ATOM 823 C ALA A 53 13.700 5.543 0.690 1.00 0.00 C ATOM 824 O ALA A 53 14.185 6.062 1.677 1.00 0.00 O ATOM 825 CB ALA A 53 14.051 3.082 0.256 1.00 0.00 C ATOM 0 H ALA A 53 11.895 3.402 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 53 12.805 3.955 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.951 3.091 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.586 2.098 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.316 3.303 -0.778 1.00 0.00 H new ATOM 831 N SER A 54 13.696 6.165 -0.476 1.00 0.00 N ATOM 832 CA SER A 54 14.303 7.542 -0.588 1.00 0.00 C ATOM 833 C SER A 54 13.612 8.512 0.386 1.00 0.00 C ATOM 834 O SER A 54 14.250 9.378 0.955 1.00 0.00 O ATOM 835 CB SER A 54 14.086 8.008 -2.036 1.00 0.00 C ATOM 836 OG SER A 54 14.939 9.112 -2.307 1.00 0.00 O ATOM 0 H SER A 54 13.306 5.787 -1.340 1.00 0.00 H new ATOM 0 HA SER A 54 15.363 7.519 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.297 7.193 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.045 8.293 -2.186 1.00 0.00 H new ATOM 0 HG SER A 54 14.804 9.411 -3.231 1.00 0.00 H new ATOM 842 N LEU A 55 12.317 8.374 0.592 1.00 0.00 N ATOM 843 CA LEU A 55 11.608 9.297 1.543 1.00 0.00 C ATOM 844 C LEU A 55 11.455 8.621 2.914 1.00 0.00 C ATOM 845 O LEU A 55 11.685 9.231 3.941 1.00 0.00 O ATOM 846 CB LEU A 55 10.234 9.573 0.922 1.00 0.00 C ATOM 847 CG LEU A 55 10.411 10.345 -0.386 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.108 10.302 -1.185 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.767 11.801 -0.073 1.00 0.00 C ATOM 0 H LEU A 55 11.728 7.670 0.148 1.00 0.00 H new ATOM 0 HA LEU A 55 12.163 10.222 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.713 8.634 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.619 10.147 1.615 1.00 0.00 H new ATOM 0 HG LEU A 55 11.211 9.890 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.235 10.852 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.851 9.266 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.308 10.757 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.894 12.353 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.966 12.254 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.695 11.834 0.497 1.00 0.00 H new ATOM 861 N PHE A 56 11.083 7.361 2.936 1.00 0.00 N ATOM 862 CA PHE A 56 10.931 6.639 4.238 1.00 0.00 C ATOM 863 C PHE A 56 12.133 5.706 4.434 1.00 0.00 C ATOM 864 O PHE A 56 12.030 4.508 4.249 1.00 0.00 O ATOM 865 CB PHE A 56 9.629 5.827 4.128 1.00 0.00 C ATOM 866 CG PHE A 56 8.480 6.745 3.771 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.001 7.665 4.711 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.900 6.676 2.499 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.941 8.517 4.376 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.843 7.529 2.166 1.00 0.00 C ATOM 871 CZ PHE A 56 6.363 8.449 3.104 1.00 0.00 C ATOM 0 H PHE A 56 10.878 6.803 2.107 1.00 0.00 H new ATOM 0 HA PHE A 56 10.891 7.321 5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.736 5.052 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.423 5.323 5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.448 7.718 5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.269 5.964 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.570 9.227 5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.397 7.477 1.184 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.546 9.107 2.846 1.00 0.00 H new ATOM 881 N ASP A 57 13.279 6.245 4.808 1.00 0.00 N ATOM 882 CA ASP A 57 14.484 5.370 5.011 1.00 0.00 C ATOM 883 C ASP A 57 14.645 4.954 6.491 1.00 0.00 C ATOM 884 O ASP A 57 15.722 4.559 6.899 1.00 0.00 O ATOM 885 CB ASP A 57 15.691 6.205 4.562 1.00 0.00 C ATOM 886 CG ASP A 57 16.790 5.276 4.043 1.00 0.00 C ATOM 887 OD1 ASP A 57 17.318 4.515 4.836 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.084 5.343 2.861 1.00 0.00 O ATOM 0 H ASP A 57 13.428 7.239 4.979 1.00 0.00 H new ATOM 0 HA ASP A 57 14.388 4.446 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.392 6.904 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.066 6.799 5.395 1.00 0.00 H new ATOM 893 N SER A 58 13.596 5.009 7.294 1.00 0.00 N ATOM 894 CA SER A 58 13.728 4.583 8.725 1.00 0.00 C ATOM 895 C SER A 58 13.023 3.227 8.974 1.00 0.00 C ATOM 896 O SER A 58 13.010 2.744 10.090 1.00 0.00 O ATOM 897 CB SER A 58 13.059 5.690 9.543 1.00 0.00 C ATOM 898 OG SER A 58 12.883 5.244 10.881 1.00 0.00 O ATOM 0 H SER A 58 12.667 5.328 7.019 1.00 0.00 H new ATOM 0 HA SER A 58 14.773 4.442 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.671 6.592 9.526 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.096 5.950 9.105 1.00 0.00 H new ATOM 0 HG SER A 58 13.197 4.319 10.962 1.00 0.00 H new ATOM 904 N VAL A 59 12.441 2.602 7.959 1.00 0.00 N ATOM 905 CA VAL A 59 11.760 1.287 8.180 1.00 0.00 C ATOM 906 C VAL A 59 12.540 0.172 7.466 1.00 0.00 C ATOM 907 O VAL A 59 13.178 0.408 6.458 1.00 0.00 O ATOM 908 CB VAL A 59 10.361 1.449 7.569 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.565 0.150 7.730 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.621 2.583 8.281 1.00 0.00 C ATOM 0 H VAL A 59 12.413 2.949 7.000 1.00 0.00 H new ATOM 0 HA VAL A 59 11.707 1.017 9.235 1.00 0.00 H new ATOM 0 HB VAL A 59 10.462 1.681 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.574 0.274 7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.086 -0.661 7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.468 -0.088 8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.628 2.698 7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.529 2.348 9.341 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.179 3.512 8.162 1.00 0.00 H new ATOM 920 N SER A 60 12.498 -1.043 7.980 1.00 0.00 N ATOM 921 CA SER A 60 13.251 -2.166 7.308 1.00 0.00 C ATOM 922 C SER A 60 12.809 -2.303 5.839 1.00 0.00 C ATOM 923 O SER A 60 11.641 -2.173 5.529 1.00 0.00 O ATOM 924 CB SER A 60 12.913 -3.450 8.080 1.00 0.00 C ATOM 925 OG SER A 60 13.666 -3.485 9.286 1.00 0.00 O ATOM 0 H SER A 60 11.984 -1.304 8.822 1.00 0.00 H new ATOM 0 HA SER A 60 14.324 -1.973 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.846 -3.484 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.140 -4.325 7.471 1.00 0.00 H new ATOM 0 HG SER A 60 13.451 -4.302 9.782 1.00 0.00 H new ATOM 931 N ARG A 61 13.732 -2.568 4.933 1.00 0.00 N ATOM 932 CA ARG A 61 13.347 -2.712 3.478 1.00 0.00 C ATOM 933 C ARG A 61 12.207 -3.733 3.315 1.00 0.00 C ATOM 934 O ARG A 61 11.347 -3.573 2.468 1.00 0.00 O ATOM 935 CB ARG A 61 14.600 -3.207 2.738 1.00 0.00 C ATOM 936 CG ARG A 61 15.386 -2.008 2.203 1.00 0.00 C ATOM 937 CD ARG A 61 15.941 -1.197 3.375 1.00 0.00 C ATOM 938 NE ARG A 61 16.918 -0.254 2.761 1.00 0.00 N ATOM 939 CZ ARG A 61 18.155 -0.239 3.173 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.427 0.056 4.415 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.122 -0.520 2.342 1.00 0.00 N ATOM 0 H ARG A 61 14.725 -2.690 5.133 1.00 0.00 H new ATOM 0 HA ARG A 61 12.995 -1.761 3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.225 -3.793 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.314 -3.863 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.201 -2.350 1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.740 -1.382 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.147 -0.660 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.423 -1.843 4.109 1.00 0.00 H new ATOM 0 HE ARG A 61 16.619 0.379 2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.672 0.275 5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.395 0.067 4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.909 -0.751 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.090 -0.509 2.663 1.00 0.00 H new ATOM 955 N ASP A 62 12.195 -4.782 4.111 1.00 0.00 N ATOM 956 CA ASP A 62 11.096 -5.806 3.977 1.00 0.00 C ATOM 957 C ASP A 62 9.723 -5.156 4.207 1.00 0.00 C ATOM 958 O ASP A 62 8.762 -5.490 3.539 1.00 0.00 O ATOM 959 CB ASP A 62 11.357 -6.884 5.040 1.00 0.00 C ATOM 960 CG ASP A 62 10.537 -8.134 4.713 1.00 0.00 C ATOM 961 OD1 ASP A 62 10.532 -8.531 3.559 1.00 0.00 O ATOM 962 OD2 ASP A 62 9.927 -8.673 5.623 1.00 0.00 O ATOM 0 H ASP A 62 12.885 -4.974 4.837 1.00 0.00 H new ATOM 0 HA ASP A 62 11.091 -6.237 2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.418 -7.130 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.089 -6.508 6.027 1.00 0.00 H new ATOM 967 N THR A 63 9.616 -4.231 5.139 1.00 0.00 N ATOM 968 CA THR A 63 8.281 -3.575 5.380 1.00 0.00 C ATOM 969 C THR A 63 7.907 -2.712 4.169 1.00 0.00 C ATOM 970 O THR A 63 6.774 -2.727 3.721 1.00 0.00 O ATOM 971 CB THR A 63 8.436 -2.701 6.637 1.00 0.00 C ATOM 972 OG1 THR A 63 8.791 -3.521 7.741 1.00 0.00 O ATOM 973 CG2 THR A 63 7.117 -1.983 6.936 1.00 0.00 C ATOM 0 H THR A 63 10.379 -3.906 5.733 1.00 0.00 H new ATOM 0 HA THR A 63 7.492 -4.314 5.521 1.00 0.00 H new ATOM 0 HB THR A 63 9.217 -1.960 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.892 -2.965 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.233 -1.366 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.846 -1.352 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.332 -2.720 7.105 1.00 0.00 H new ATOM 981 N LEU A 64 8.846 -1.968 3.629 1.00 0.00 N ATOM 982 CA LEU A 64 8.519 -1.115 2.434 1.00 0.00 C ATOM 983 C LEU A 64 8.244 -2.017 1.224 1.00 0.00 C ATOM 984 O LEU A 64 7.326 -1.770 0.463 1.00 0.00 O ATOM 985 CB LEU A 64 9.741 -0.214 2.172 1.00 0.00 C ATOM 986 CG LEU A 64 9.993 0.696 3.390 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.251 0.232 4.139 1.00 0.00 C ATOM 988 CD2 LEU A 64 10.185 2.144 2.920 1.00 0.00 C ATOM 0 H LEU A 64 9.811 -1.913 3.956 1.00 0.00 H new ATOM 0 HA LEU A 64 7.632 -0.506 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.621 -0.827 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.572 0.393 1.282 1.00 0.00 H new ATOM 0 HG LEU A 64 9.135 0.640 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.423 0.880 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.114 -0.794 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.111 0.280 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.363 2.786 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.040 2.197 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.289 2.479 2.397 1.00 0.00 H new ATOM 1000 N ALA A 65 9.013 -3.072 1.049 1.00 0.00 N ATOM 1001 CA ALA A 65 8.753 -3.993 -0.114 1.00 0.00 C ATOM 1002 C ALA A 65 7.395 -4.693 0.073 1.00 0.00 C ATOM 1003 O ALA A 65 6.690 -4.941 -0.886 1.00 0.00 O ATOM 1004 CB ALA A 65 9.891 -5.025 -0.130 1.00 0.00 C ATOM 0 H ALA A 65 9.796 -3.333 1.649 1.00 0.00 H new ATOM 0 HA ALA A 65 8.720 -3.444 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.744 -5.716 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.845 -4.512 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.892 -5.580 0.808 1.00 0.00 H new ATOM 1010 N ASN A 66 7.018 -5.011 1.299 1.00 0.00 N ATOM 1011 CA ASN A 66 5.691 -5.692 1.519 1.00 0.00 C ATOM 1012 C ASN A 66 4.551 -4.809 0.985 1.00 0.00 C ATOM 1013 O ASN A 66 3.613 -5.306 0.391 1.00 0.00 O ATOM 1014 CB ASN A 66 5.536 -5.894 3.035 1.00 0.00 C ATOM 1015 CG ASN A 66 4.671 -7.132 3.301 1.00 0.00 C ATOM 1016 OD1 ASN A 66 3.645 -7.311 2.675 1.00 0.00 O ATOM 1017 ND2 ASN A 66 5.039 -8.004 4.209 1.00 0.00 N ATOM 0 H ASN A 66 7.562 -4.832 2.143 1.00 0.00 H new ATOM 0 HA ASN A 66 5.651 -6.646 0.993 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.515 -6.015 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.077 -5.013 3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.465 -8.828 4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.899 -7.858 4.737 1.00 0.00 H new ATOM 1024 N VAL A 67 4.624 -3.503 1.176 1.00 0.00 N ATOM 1025 CA VAL A 67 3.522 -2.621 0.647 1.00 0.00 C ATOM 1026 C VAL A 67 3.621 -2.543 -0.888 1.00 0.00 C ATOM 1027 O VAL A 67 2.616 -2.559 -1.576 1.00 0.00 O ATOM 1028 CB VAL A 67 3.709 -1.235 1.286 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.611 -0.293 0.794 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.618 -1.364 2.811 1.00 0.00 C ATOM 0 H VAL A 67 5.379 -3.021 1.663 1.00 0.00 H new ATOM 0 HA VAL A 67 2.536 -3.015 0.894 1.00 0.00 H new ATOM 0 HB VAL A 67 4.684 -0.835 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.744 0.689 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.668 -0.203 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.636 -0.693 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.750 -0.383 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.641 -1.763 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.398 -2.038 3.166 1.00 0.00 H new ATOM 1040 N VAL A 68 4.818 -2.490 -1.437 1.00 0.00 N ATOM 1041 CA VAL A 68 4.949 -2.455 -2.937 1.00 0.00 C ATOM 1042 C VAL A 68 4.582 -3.842 -3.500 1.00 0.00 C ATOM 1043 O VAL A 68 3.964 -3.943 -4.542 1.00 0.00 O ATOM 1044 CB VAL A 68 6.421 -2.108 -3.239 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.680 -2.169 -4.747 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.722 -0.696 -2.732 1.00 0.00 C ATOM 0 H VAL A 68 5.698 -2.470 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 68 4.287 -1.720 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 68 7.066 -2.829 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.723 -1.922 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.468 -3.174 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.034 -1.454 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.762 -0.447 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.069 0.018 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.550 -0.651 -1.657 1.00 0.00 H new ATOM 1056 N GLN A 69 4.951 -4.913 -2.816 1.00 0.00 N ATOM 1057 CA GLN A 69 4.604 -6.283 -3.335 1.00 0.00 C ATOM 1058 C GLN A 69 3.083 -6.483 -3.328 1.00 0.00 C ATOM 1059 O GLN A 69 2.528 -7.028 -4.265 1.00 0.00 O ATOM 1060 CB GLN A 69 5.277 -7.301 -2.397 1.00 0.00 C ATOM 1061 CG GLN A 69 5.334 -8.673 -3.079 1.00 0.00 C ATOM 1062 CD GLN A 69 6.742 -8.914 -3.638 1.00 0.00 C ATOM 1063 OE1 GLN A 69 7.169 -8.229 -4.546 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.492 -9.866 -3.134 1.00 0.00 N ATOM 0 H GLN A 69 5.468 -4.896 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 69 4.950 -6.409 -4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.284 -6.967 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.721 -7.372 -1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.077 -9.456 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.600 -8.721 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.138 -10.444 -2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.428 -10.028 -3.505 1.00 0.00 H new ATOM 1073 N THR A 70 2.397 -6.047 -2.289 1.00 0.00 N ATOM 1074 CA THR A 70 0.901 -6.229 -2.269 1.00 0.00 C ATOM 1075 C THR A 70 0.246 -5.392 -3.384 1.00 0.00 C ATOM 1076 O THR A 70 -0.767 -5.787 -3.933 1.00 0.00 O ATOM 1077 CB THR A 70 0.393 -5.801 -0.877 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.008 -6.018 -0.803 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.689 -4.322 -0.627 1.00 0.00 C ATOM 0 H THR A 70 2.796 -5.584 -1.472 1.00 0.00 H new ATOM 0 HA THR A 70 0.638 -7.271 -2.452 1.00 0.00 H new ATOM 0 HB THR A 70 0.905 -6.394 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.335 -5.749 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.323 -4.039 0.360 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.765 -4.153 -0.677 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.191 -3.718 -1.385 1.00 0.00 H new ATOM 1087 N ALA A 71 0.814 -4.254 -3.744 1.00 0.00 N ATOM 1088 CA ALA A 71 0.196 -3.439 -4.850 1.00 0.00 C ATOM 1089 C ALA A 71 0.290 -4.229 -6.164 1.00 0.00 C ATOM 1090 O ALA A 71 -0.645 -4.253 -6.942 1.00 0.00 O ATOM 1091 CB ALA A 71 0.996 -2.128 -4.957 1.00 0.00 C ATOM 0 H ALA A 71 1.660 -3.863 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.853 -3.223 -4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.576 -1.509 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.942 -1.590 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.037 -2.355 -5.186 1.00 0.00 H new ATOM 1097 N PHE A 72 1.406 -4.894 -6.415 1.00 0.00 N ATOM 1098 CA PHE A 72 1.525 -5.694 -7.687 1.00 0.00 C ATOM 1099 C PHE A 72 0.464 -6.799 -7.686 1.00 0.00 C ATOM 1100 O PHE A 72 -0.273 -6.952 -8.642 1.00 0.00 O ATOM 1101 CB PHE A 72 2.936 -6.299 -7.702 1.00 0.00 C ATOM 1102 CG PHE A 72 3.909 -5.235 -8.138 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.864 -4.751 -9.447 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.844 -4.724 -7.232 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.756 -3.755 -9.854 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.735 -3.725 -7.638 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.692 -3.242 -8.948 1.00 0.00 C ATOM 0 H PHE A 72 2.224 -4.917 -5.806 1.00 0.00 H new ATOM 0 HA PHE A 72 1.369 -5.075 -8.571 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.199 -6.670 -6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.976 -7.150 -8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.140 -5.146 -10.145 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.878 -5.100 -6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.723 -3.381 -10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.456 -3.327 -6.939 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.381 -2.472 -9.262 1.00 0.00 H new ATOM 1117 N PHE A 73 0.357 -7.557 -6.610 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.700 -8.632 -6.566 1.00 0.00 C ATOM 1119 C PHE A 73 -2.084 -7.980 -6.720 1.00 0.00 C ATOM 1120 O PHE A 73 -2.954 -8.517 -7.380 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.581 -9.319 -5.196 1.00 0.00 C ATOM 1122 CG PHE A 73 0.473 -10.398 -5.265 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.175 -11.631 -5.857 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.748 -10.165 -4.738 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.152 -12.631 -5.921 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.725 -11.165 -4.802 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.427 -12.397 -5.394 1.00 0.00 C ATOM 0 H PHE A 73 0.942 -7.481 -5.778 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.572 -9.359 -7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.319 -8.587 -4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.540 -9.750 -4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.809 -11.811 -6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.978 -9.214 -4.282 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.922 -13.583 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.709 -10.986 -4.394 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.182 -13.168 -5.444 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.293 -6.812 -6.132 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.629 -6.134 -6.278 1.00 0.00 C ATOM 1139 C ALA A 74 -3.908 -5.855 -7.762 1.00 0.00 C ATOM 1140 O ALA A 74 -5.028 -5.997 -8.217 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.548 -4.813 -5.495 1.00 0.00 C ATOM 0 H ALA A 74 -1.607 -6.310 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.434 -6.761 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.498 -4.285 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.335 -5.024 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.753 -4.193 -5.909 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.903 -5.464 -8.529 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.148 -5.191 -9.995 1.00 0.00 C ATOM 1149 C LEU A 75 -3.788 -6.421 -10.657 1.00 0.00 C ATOM 1150 O LEU A 75 -4.693 -6.296 -11.461 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.777 -4.909 -10.646 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.521 -3.399 -10.748 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.633 -2.725 -11.565 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.469 -2.794 -9.343 1.00 0.00 C ATOM 0 H LEU A 75 -1.944 -5.325 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.821 -4.343 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.987 -5.377 -10.058 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.743 -5.356 -11.640 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.568 -3.233 -11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.439 -1.654 -11.630 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.656 -3.151 -12.568 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.594 -2.891 -11.078 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.287 -1.722 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.418 -2.968 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.664 -3.261 -8.775 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.334 -7.610 -10.316 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.946 -8.840 -10.929 1.00 0.00 C ATOM 1168 C GLU A 76 -5.363 -9.036 -10.374 1.00 0.00 C ATOM 1169 O GLU A 76 -6.275 -9.374 -11.105 1.00 0.00 O ATOM 1170 CB GLU A 76 -3.047 -10.027 -10.543 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.008 -11.033 -11.694 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.627 -11.687 -11.754 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.669 -10.981 -12.022 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.550 -12.885 -11.530 1.00 0.00 O ATOM 0 H GLU A 76 -2.579 -7.781 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.018 -8.753 -12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.040 -9.676 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.426 -10.506 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.776 -11.793 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.226 -10.531 -12.637 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.559 -8.811 -9.092 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.940 -8.974 -8.512 1.00 0.00 C ATOM 1183 C ALA A 77 -7.872 -7.896 -9.084 1.00 0.00 C ATOM 1184 O ALA A 77 -9.028 -8.161 -9.357 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.809 -8.815 -6.990 1.00 0.00 C ATOM 0 H ALA A 77 -4.837 -8.526 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.361 -9.948 -8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.789 -8.926 -6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.135 -9.579 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.409 -7.827 -6.760 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.384 -6.686 -9.280 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.273 -5.613 -9.853 1.00 0.00 C ATOM 1193 C LEU A 78 -8.663 -5.983 -11.292 1.00 0.00 C ATOM 1194 O LEU A 78 -9.793 -5.788 -11.698 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.461 -4.308 -9.839 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.151 -3.916 -8.394 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -5.892 -3.049 -8.359 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.327 -3.127 -7.817 1.00 0.00 C ATOM 0 H LEU A 78 -6.428 -6.399 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.189 -5.503 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.535 -4.438 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.022 -3.513 -10.330 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.989 -4.816 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.671 -2.770 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.053 -3.609 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.053 -2.149 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.107 -2.847 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.488 -2.227 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.226 -3.743 -7.841 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.740 -6.521 -12.069 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.090 -6.902 -13.485 1.00 0.00 C ATOM 1212 C GLN A 79 -9.243 -7.923 -13.502 1.00 0.00 C ATOM 1213 O GLN A 79 -10.060 -7.915 -14.403 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.827 -7.525 -14.103 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.832 -6.419 -14.458 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.432 -7.024 -14.625 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.281 -8.063 -15.236 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.392 -6.418 -14.107 1.00 0.00 N ATOM 0 H GLN A 79 -6.777 -6.710 -11.790 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.417 -6.028 -14.049 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.373 -8.225 -13.401 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.089 -8.093 -14.996 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.137 -5.922 -15.379 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.821 -5.660 -13.675 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.514 -5.545 -13.593 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.461 -6.819 -14.218 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.320 -8.802 -12.521 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.438 -9.812 -12.514 1.00 0.00 C ATOM 1229 C GLN A 80 -11.735 -9.166 -12.009 1.00 0.00 C ATOM 1230 O GLN A 80 -12.803 -9.419 -12.536 1.00 0.00 O ATOM 1231 CB GLN A 80 -10.003 -10.944 -11.570 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.808 -12.208 -11.882 1.00 0.00 C ATOM 1233 CD GLN A 80 -10.250 -13.383 -11.068 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -10.894 -13.857 -10.153 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.073 -13.880 -11.361 1.00 0.00 N ATOM 0 H GLN A 80 -8.669 -8.864 -11.738 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.630 -10.191 -13.518 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.937 -11.141 -11.688 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.160 -10.647 -10.533 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.859 -12.051 -11.641 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.755 -12.432 -12.947 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.529 -13.485 -12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.701 -14.662 -10.822 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.657 -8.329 -10.996 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.891 -7.672 -10.471 1.00 0.00 C ATOM 1246 C GLY A 81 -13.023 -7.940 -8.965 1.00 0.00 C ATOM 1247 O GLY A 81 -13.796 -8.782 -8.550 1.00 0.00 O ATOM 0 H GLY A 81 -10.793 -8.077 -10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.849 -6.599 -10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.768 -8.052 -10.995 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.280 -7.230 -8.139 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.377 -7.450 -6.665 1.00 0.00 C ATOM 1253 C GLU A 82 -12.872 -6.170 -5.973 1.00 0.00 C ATOM 1254 O GLU A 82 -13.050 -5.150 -6.614 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.954 -7.786 -6.219 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.728 -9.296 -6.330 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.567 -9.706 -5.422 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -9.455 -9.143 -4.345 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -8.809 -10.576 -5.819 1.00 0.00 O ATOM 0 H GLU A 82 -11.615 -6.512 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.080 -8.243 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.232 -7.253 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.797 -7.458 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.633 -9.832 -6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.509 -9.567 -7.363 1.00 0.00 H new ATOM 1266 N SER A 83 -13.097 -6.207 -4.674 1.00 0.00 N ATOM 1267 CA SER A 83 -13.578 -4.982 -3.966 1.00 0.00 C ATOM 1268 C SER A 83 -12.518 -4.485 -2.971 1.00 0.00 C ATOM 1269 O SER A 83 -11.931 -5.267 -2.247 1.00 0.00 O ATOM 1270 CB SER A 83 -14.840 -5.412 -3.221 1.00 0.00 C ATOM 1271 OG SER A 83 -15.896 -5.601 -4.153 1.00 0.00 O ATOM 0 H SER A 83 -12.968 -7.028 -4.083 1.00 0.00 H new ATOM 0 HA SER A 83 -13.773 -4.165 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.655 -6.335 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.118 -4.655 -2.487 1.00 0.00 H new ATOM 0 HG SER A 83 -16.706 -5.879 -3.677 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.273 -3.192 -2.926 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.249 -2.659 -1.964 1.00 0.00 C ATOM 1279 C ALA A 84 -11.925 -2.118 -0.685 1.00 0.00 C ATOM 1280 O ALA A 84 -11.365 -2.210 0.391 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.519 -1.531 -2.709 1.00 0.00 C ATOM 0 H ALA A 84 -12.732 -2.490 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.559 -3.441 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.757 -1.100 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.047 -1.933 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.235 -0.759 -2.991 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.119 -1.556 -0.781 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.798 -1.015 0.459 1.00 0.00 C ATOM 1289 C GLU A 85 -13.889 -2.100 1.543 1.00 0.00 C ATOM 1290 O GLU A 85 -13.728 -1.820 2.716 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.208 -0.576 0.036 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.107 0.590 -0.950 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.321 1.505 -0.786 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.711 1.741 0.345 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -16.840 1.956 -1.795 1.00 0.00 O ATOM 0 H GLU A 85 -13.646 -1.449 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.232 -0.182 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.737 -1.410 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.785 -0.277 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.189 1.151 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.058 0.213 -1.972 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.141 -3.336 1.165 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.233 -4.430 2.203 1.00 0.00 C ATOM 1304 C ASN A 86 -12.922 -4.518 3.002 1.00 0.00 C ATOM 1305 O ASN A 86 -12.942 -4.760 4.194 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.482 -5.743 1.445 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.914 -5.755 0.897 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.794 -5.142 1.467 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.194 -6.431 -0.191 1.00 0.00 N ATOM 0 H ASN A 86 -14.285 -3.635 0.201 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.037 -4.229 2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.768 -5.844 0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.329 -6.593 2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.147 -6.440 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.459 -6.948 -0.674 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.785 -4.315 2.365 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.488 -4.382 3.129 1.00 0.00 C ATOM 1318 C ILE A 87 -10.434 -3.234 4.155 1.00 0.00 C ATOM 1319 O ILE A 87 -9.931 -3.408 5.250 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.348 -4.249 2.095 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.385 -5.434 1.112 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.991 -4.230 2.810 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.243 -6.762 1.870 1.00 0.00 C ATOM 0 H ILE A 87 -11.698 -4.110 1.370 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.394 -5.320 3.676 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.484 -3.317 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.322 -5.424 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.580 -5.336 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.193 -4.136 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.953 -3.384 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.861 -5.157 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.271 -7.590 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.294 -6.775 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.063 -6.865 2.581 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.948 -2.063 3.821 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.912 -0.923 4.811 1.00 0.00 C ATOM 1337 C VAL A 88 -11.654 -1.320 6.098 1.00 0.00 C ATOM 1338 O VAL A 88 -11.232 -0.974 7.186 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.601 0.282 4.143 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.607 1.475 5.104 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.834 0.665 2.877 1.00 0.00 C ATOM 0 H VAL A 88 -11.383 -1.849 2.923 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.886 -0.675 5.082 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.627 0.014 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.095 2.324 4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.148 1.208 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.581 1.742 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.319 1.518 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.809 0.930 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.826 -0.179 2.187 1.00 0.00 H new ATOM 1351 N SER A 89 -12.750 -2.050 5.993 1.00 0.00 N ATOM 1352 CA SER A 89 -13.492 -2.461 7.243 1.00 0.00 C ATOM 1353 C SER A 89 -12.544 -3.234 8.173 1.00 0.00 C ATOM 1354 O SER A 89 -12.536 -3.020 9.372 1.00 0.00 O ATOM 1355 CB SER A 89 -14.653 -3.362 6.798 1.00 0.00 C ATOM 1356 OG SER A 89 -14.985 -4.256 7.853 1.00 0.00 O ATOM 0 H SER A 89 -13.157 -2.374 5.115 1.00 0.00 H new ATOM 0 HA SER A 89 -13.866 -1.593 7.786 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.519 -2.755 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.373 -3.922 5.906 1.00 0.00 H new ATOM 0 HG SER A 89 -15.727 -4.832 7.573 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.727 -4.114 7.628 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.762 -4.871 8.502 1.00 0.00 C ATOM 1364 C LYS A 90 -9.680 -3.916 9.031 1.00 0.00 C ATOM 1365 O LYS A 90 -9.215 -4.068 10.146 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.131 -5.966 7.628 1.00 0.00 C ATOM 1367 CG LYS A 90 -11.041 -7.195 7.613 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.230 -8.426 7.203 1.00 0.00 C ATOM 1369 CE LYS A 90 -11.162 -9.466 6.576 1.00 0.00 C ATOM 1370 NZ LYS A 90 -11.754 -10.197 7.731 1.00 0.00 N ATOM 0 H LYS A 90 -11.686 -4.338 6.634 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.268 -5.310 9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.985 -5.597 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.148 -6.233 8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.480 -7.348 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.866 -7.041 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.453 -8.143 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.727 -8.850 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.935 -8.991 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.614 -10.142 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.406 -10.928 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.996 -10.645 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.275 -9.529 8.335 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.279 -2.924 8.255 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.234 -1.968 8.759 1.00 0.00 C ATOM 1386 C ILE A 91 -8.840 -1.069 9.845 1.00 0.00 C ATOM 1387 O ILE A 91 -8.198 -0.779 10.837 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.769 -1.128 7.550 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.184 -2.044 6.461 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.700 -0.128 7.997 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.033 -2.882 7.036 1.00 0.00 C ATOM 0 H ILE A 91 -9.624 -2.740 7.313 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.389 -2.497 9.199 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.627 -0.592 7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.962 -2.700 6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.825 -1.444 5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.374 0.463 7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.116 0.533 8.758 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.848 -0.667 8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.627 -3.526 6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.249 -2.220 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.404 -3.496 7.857 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.074 -0.636 9.680 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.698 0.235 10.737 1.00 0.00 C ATOM 1405 C ARG A 92 -10.846 -0.561 12.040 1.00 0.00 C ATOM 1406 O ARG A 92 -10.613 -0.038 13.115 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.077 0.665 10.211 1.00 0.00 C ATOM 1408 CG ARG A 92 -11.921 1.898 9.317 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.133 2.817 9.494 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.258 2.102 8.830 1.00 0.00 N ATOM 1411 CZ ARG A 92 -15.347 1.837 9.498 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -16.224 2.779 9.716 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -15.560 0.630 9.947 1.00 0.00 N ATOM 0 H ARG A 92 -10.666 -0.843 8.876 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.080 1.108 10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.534 -0.150 9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.742 0.889 11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.006 2.432 9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.831 1.595 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.345 2.993 10.549 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.960 3.791 9.037 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.177 1.820 7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -16.058 3.722 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -17.075 2.572 10.238 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.875 -0.106 9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.411 0.423 10.469 1.00 0.00 H new ATOM 1427 N MET A 93 -11.213 -1.824 11.960 1.00 0.00 N ATOM 1428 CA MET A 93 -11.345 -2.635 13.221 1.00 0.00 C ATOM 1429 C MET A 93 -9.948 -2.942 13.776 1.00 0.00 C ATOM 1430 O MET A 93 -9.729 -2.886 14.972 1.00 0.00 O ATOM 1431 CB MET A 93 -12.072 -3.936 12.843 1.00 0.00 C ATOM 1432 CG MET A 93 -12.625 -4.597 14.107 1.00 0.00 C ATOM 1433 SD MET A 93 -14.272 -3.938 14.462 1.00 0.00 S ATOM 1434 CE MET A 93 -15.089 -5.521 14.778 1.00 0.00 C ATOM 0 H MET A 93 -11.423 -2.321 11.094 1.00 0.00 H new ATOM 0 HA MET A 93 -11.903 -2.096 13.987 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.883 -3.723 12.147 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.386 -4.614 12.335 1.00 0.00 H new ATOM 0 HG2 MET A 93 -12.675 -5.678 13.973 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.958 -4.411 14.949 1.00 0.00 H new ATOM 0 HE1 MET A 93 -16.137 -5.347 15.022 1.00 0.00 H new ATOM 0 HE2 MET A 93 -15.022 -6.149 13.889 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.600 -6.022 15.614 1.00 0.00 H new ATOM 1444 N MET A 94 -8.994 -3.246 12.919 1.00 0.00 N ATOM 1445 CA MET A 94 -7.605 -3.531 13.423 1.00 0.00 C ATOM 1446 C MET A 94 -6.963 -2.231 13.927 1.00 0.00 C ATOM 1447 O MET A 94 -6.264 -2.233 14.924 1.00 0.00 O ATOM 1448 CB MET A 94 -6.806 -4.101 12.240 1.00 0.00 C ATOM 1449 CG MET A 94 -7.305 -5.511 11.920 1.00 0.00 C ATOM 1450 SD MET A 94 -6.415 -6.153 10.480 1.00 0.00 S ATOM 1451 CE MET A 94 -4.880 -6.581 11.335 1.00 0.00 C ATOM 0 H MET A 94 -9.114 -3.308 11.908 1.00 0.00 H new ATOM 0 HA MET A 94 -7.621 -4.240 14.250 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.918 -3.457 11.368 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.744 -4.126 12.483 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.152 -6.166 12.778 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.376 -5.493 11.720 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.052 -6.021 10.899 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.970 -6.331 12.392 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.691 -7.649 11.230 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.202 -1.115 13.262 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.599 0.176 13.749 1.00 0.00 C ATOM 1463 C ASN A 95 -7.283 0.602 15.056 1.00 0.00 C ATOM 1464 O ASN A 95 -6.634 1.094 15.961 1.00 0.00 O ATOM 1465 CB ASN A 95 -6.832 1.228 12.650 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.650 1.216 11.669 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.563 0.277 10.758 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -4.792 2.074 11.733 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.776 -1.043 12.422 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.533 0.065 13.948 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.760 1.016 12.120 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.938 2.217 13.095 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.855 2.807 12.440 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.009 2.062 11.080 1.00 0.00 H new ATOM 1475 N ALA A 96 -8.582 0.403 15.175 1.00 0.00 N ATOM 1476 CA ALA A 96 -9.276 0.792 16.455 1.00 0.00 C ATOM 1477 C ALA A 96 -8.751 -0.074 17.609 1.00 0.00 C ATOM 1478 O ALA A 96 -8.569 0.408 18.712 1.00 0.00 O ATOM 1479 CB ALA A 96 -10.778 0.548 16.243 1.00 0.00 C ATOM 0 H ALA A 96 -9.181 -0.004 14.457 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.090 1.836 16.706 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.322 0.817 17.149 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.132 1.158 15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.947 -0.505 16.018 1.00 0.00 H new ATOM 1485 N GLN A 97 -8.496 -1.346 17.369 1.00 0.00 N ATOM 1486 CA GLN A 97 -7.966 -2.224 18.478 1.00 0.00 C ATOM 1487 C GLN A 97 -6.664 -1.634 19.042 1.00 0.00 C ATOM 1488 O GLN A 97 -6.421 -1.693 20.233 1.00 0.00 O ATOM 1489 CB GLN A 97 -7.698 -3.607 17.861 1.00 0.00 C ATOM 1490 CG GLN A 97 -7.561 -4.645 18.976 1.00 0.00 C ATOM 1491 CD GLN A 97 -6.694 -5.811 18.486 1.00 0.00 C ATOM 1492 OE1 GLN A 97 -5.718 -5.602 17.793 1.00 0.00 O ATOM 1493 NE2 GLN A 97 -7.005 -7.042 18.815 1.00 0.00 N ATOM 0 H GLN A 97 -8.628 -1.810 16.470 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.681 -2.294 19.297 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.513 -3.882 17.191 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.788 -3.579 17.261 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.111 -4.189 19.858 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.545 -5.009 19.272 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.823 -7.223 19.397 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.429 -7.818 18.489 1.00 0.00 H new ATOM 1502 N SER A 98 -5.822 -1.061 18.203 1.00 0.00 N ATOM 1503 CA SER A 98 -4.533 -0.464 18.720 1.00 0.00 C ATOM 1504 C SER A 98 -4.818 0.549 19.845 1.00 0.00 C ATOM 1505 O SER A 98 -4.056 0.656 20.788 1.00 0.00 O ATOM 1506 CB SER A 98 -3.866 0.246 17.532 1.00 0.00 C ATOM 1507 OG SER A 98 -3.697 -0.679 16.467 1.00 0.00 O ATOM 0 H SER A 98 -5.966 -0.980 17.196 1.00 0.00 H new ATOM 0 HA SER A 98 -3.887 -1.240 19.132 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.478 1.086 17.205 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.900 0.653 17.832 1.00 0.00 H new ATOM 0 HG SER A 98 -3.273 -0.229 15.707 1.00 0.00 H new ATOM 1513 N LEU A 99 -5.908 1.287 19.762 1.00 0.00 N ATOM 1514 CA LEU A 99 -6.219 2.280 20.846 1.00 0.00 C ATOM 1515 C LEU A 99 -7.138 1.642 21.899 1.00 0.00 C ATOM 1516 O LEU A 99 -6.972 1.861 23.084 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.922 3.464 20.155 1.00 0.00 C ATOM 1518 CG LEU A 99 -6.326 4.796 20.636 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.508 4.933 22.150 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -4.833 4.851 20.294 1.00 0.00 C ATOM 0 H LEU A 99 -6.586 1.245 19.001 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.316 2.608 21.362 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.813 3.379 19.074 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.990 3.437 20.371 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.842 5.615 20.136 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.083 5.880 22.483 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.570 4.907 22.393 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.000 4.110 22.653 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.416 5.798 20.637 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.316 4.027 20.786 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.704 4.768 19.215 1.00 0.00 H new ATOM 1532 N GLY A 100 -8.103 0.852 21.480 1.00 0.00 N ATOM 1533 CA GLY A 100 -9.021 0.203 22.463 1.00 0.00 C ATOM 1534 C GLY A 100 -9.989 1.246 23.036 1.00 0.00 C ATOM 1535 O GLY A 100 -9.639 1.995 23.930 1.00 0.00 O ATOM 0 H GLY A 100 -8.290 0.632 20.502 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.580 -0.598 21.979 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.444 -0.252 23.268 1.00 0.00 H new ATOM 1539 N GLN A 101 -11.207 1.303 22.535 1.00 0.00 N ATOM 1540 CA GLN A 101 -12.189 2.298 23.061 1.00 0.00 C ATOM 1541 C GLN A 101 -13.586 1.666 23.140 1.00 0.00 C ATOM 1542 O GLN A 101 -14.343 1.708 22.188 1.00 0.00 O ATOM 1543 CB GLN A 101 -12.175 3.445 22.049 1.00 0.00 C ATOM 1544 CG GLN A 101 -11.223 4.542 22.532 1.00 0.00 C ATOM 1545 CD GLN A 101 -11.769 5.913 22.117 1.00 0.00 C ATOM 1546 OE1 GLN A 101 -12.845 6.296 22.530 1.00 0.00 O ATOM 1547 NE2 GLN A 101 -11.072 6.680 21.313 1.00 0.00 N ATOM 0 H GLN A 101 -11.556 0.703 21.788 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.935 2.640 24.064 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.859 3.078 21.073 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.180 3.849 21.927 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.116 4.494 23.616 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.231 4.390 22.107 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.168 6.364 20.963 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.434 7.593 21.038 1.00 0.00 H new ATOM 1556 N SER A 102 -13.941 1.071 24.267 1.00 0.00 N ATOM 1557 CA SER A 102 -15.291 0.430 24.400 1.00 0.00 C ATOM 1558 C SER A 102 -15.533 -0.566 23.250 1.00 0.00 C ATOM 1559 O SER A 102 -16.625 -0.650 22.720 1.00 0.00 O ATOM 1560 CB SER A 102 -16.300 1.580 24.335 1.00 0.00 C ATOM 1561 OG SER A 102 -15.769 2.707 25.020 1.00 0.00 O ATOM 0 H SER A 102 -13.351 1.005 25.096 1.00 0.00 H new ATOM 0 HA SER A 102 -15.380 -0.133 25.329 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.511 1.837 23.297 1.00 0.00 H new ATOM 0 HB3 SER A 102 -17.245 1.277 24.786 1.00 0.00 H new ATOM 0 HG SER A 102 -16.411 3.447 24.980 1.00 0.00 H new ATOM 1567 N ASP A 103 -14.524 -1.319 22.859 1.00 0.00 N ATOM 1568 CA ASP A 103 -14.707 -2.299 21.746 1.00 0.00 C ATOM 1569 C ASP A 103 -14.118 -3.663 22.136 1.00 0.00 C ATOM 1570 O ASP A 103 -12.982 -3.963 21.815 1.00 0.00 O ATOM 1571 CB ASP A 103 -13.940 -1.702 20.565 1.00 0.00 C ATOM 1572 CG ASP A 103 -14.130 -2.587 19.332 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -15.259 -2.956 19.061 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -13.141 -2.881 18.682 1.00 0.00 O ATOM 0 H ASP A 103 -13.588 -1.293 23.264 1.00 0.00 H new ATOM 0 HA ASP A 103 -15.758 -2.464 21.510 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -14.296 -0.693 20.359 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.881 -1.623 20.809 1.00 0.00 H new ATOM 1579 N ILE A 104 -14.875 -4.495 22.824 1.00 0.00 N ATOM 1580 CA ILE A 104 -14.343 -5.834 23.225 1.00 0.00 C ATOM 1581 C ILE A 104 -15.459 -6.891 23.163 1.00 0.00 C ATOM 1582 O ILE A 104 -16.622 -6.559 23.024 1.00 0.00 O ATOM 1583 CB ILE A 104 -13.842 -5.658 24.663 1.00 0.00 C ATOM 1584 CG1 ILE A 104 -14.989 -5.187 25.564 1.00 0.00 C ATOM 1585 CG2 ILE A 104 -12.722 -4.615 24.686 1.00 0.00 C ATOM 1586 CD1 ILE A 104 -14.576 -5.323 27.031 1.00 0.00 C ATOM 0 H ILE A 104 -15.831 -4.301 23.121 1.00 0.00 H new ATOM 0 HA ILE A 104 -13.548 -6.174 22.561 1.00 0.00 H new ATOM 0 HB ILE A 104 -13.467 -6.613 25.029 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -15.239 -4.150 25.340 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -15.884 -5.779 25.371 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -12.364 -4.488 25.708 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -11.900 -4.949 24.053 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -13.103 -3.664 24.314 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -15.392 -4.988 27.671 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -14.348 -6.366 27.250 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -13.693 -4.712 27.219 1.00 0.00 H new ATOM 1598 N ALA A 105 -15.120 -8.161 23.265 1.00 0.00 N ATOM 1599 CA ALA A 105 -16.168 -9.224 23.212 1.00 0.00 C ATOM 1600 C ALA A 105 -16.206 -9.997 24.533 1.00 0.00 C ATOM 1601 O ALA A 105 -16.693 -11.115 24.527 1.00 0.00 O ATOM 1602 CB ALA A 105 -15.743 -10.141 22.065 1.00 0.00 C ATOM 1603 OXT ALA A 105 -15.747 -9.457 25.526 1.00 0.00 O ATOM 0 H ALA A 105 -14.165 -8.500 23.382 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.166 -8.813 23.057 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -16.465 -10.951 21.961 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.703 -9.569 21.138 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.758 -10.557 22.278 1.00 0.00 H new TER 1609 ALA A 105