USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 833 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 1 MET N :NH3+ 163:sc= 0.665 (180deg=0) USER MOD Set 1.2: A 44 GLN : amide:sc= 0.608 K(o=1.3,f=-2.6) USER MOD Set 2.1: A 11 TYR OH : rot 30:sc= -0.546 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -0.0732 X(o=-0.62,f=-0.64) USER MOD Set 2.3: A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0436 (180deg=-0.0436) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 9 CYS SG : rot -15:sc= 0.0827 USER MOD Single : A 10 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.00108 K(o=0.0011,f=-0.67) USER MOD Single : A 28 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.0027) USER MOD Single : A 29 HIS : no HD1:sc= -0.753 K(o=-0.75,f=-1.5) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -25:sc= 0.422 USER MOD Single : A 39 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.013) USER MOD Single : A 43 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.19) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.328 F(o=-0.85,f=-0.33) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.027 (180deg=-0.308) USER MOD Single : A 66 SER OG : rot -75:sc= 1.11 USER MOD Single : A 67 THR OG1 : rot -29:sc= 1.09 USER MOD Single : A 68 THR OG1 : rot -60:sc= -0.709 USER MOD Single : A 70 MET CE :methyl -145:sc= -0.278 (180deg=-1.01) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.152 F(o=-1.8,f=-0.15) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -16:sc= 0.773 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= -0.0569 (180deg=-0.424) USER MOD Single : A 94 CYS SG : rot -102:sc= -3.4! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 1.466 -0.942 -2.266 1.00 0.00 C ATOM 4 O MET A 1 1.405 -2.153 -2.053 1.00 0.00 O ATOM 5 CB MET A 1 3.542 -0.412 -0.975 1.00 0.00 C ATOM 6 CG MET A 1 4.559 0.397 -1.764 1.00 0.00 C ATOM 7 SD MET A 1 6.189 0.403 -0.995 1.00 0.00 S ATOM 8 CE MET A 1 6.500 2.163 -0.875 1.00 0.00 C ATOM 0 H1 MET A 1 1.908 0.404 0.764 1.00 0.00 H new ATOM 0 H2 MET A 1 0.469 0.572 -0.122 1.00 0.00 H new ATOM 0 H3 MET A 1 1.064 -0.975 0.245 1.00 0.00 H new ATOM 0 HA MET A 1 2.079 1.011 -1.648 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.751 -0.304 0.089 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.662 -1.468 -1.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.639 -0.011 -2.772 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.204 1.423 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.475 2.330 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.487 2.604 -1.872 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.728 2.628 -0.263 1.00 0.00 H new ATOM 18 N ASP A 2 1.001 -0.378 -3.375 1.00 0.00 N ATOM 19 CA ASP A 2 0.378 -1.168 -4.431 1.00 0.00 C ATOM 20 C ASP A 2 1.435 -1.856 -5.289 1.00 0.00 C ATOM 21 O ASP A 2 2.535 -1.336 -5.473 1.00 0.00 O ATOM 22 CB ASP A 2 -0.508 -0.280 -5.306 1.00 0.00 C ATOM 23 CG ASP A 2 -1.731 -1.011 -5.822 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.805 -2.245 -5.642 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.616 -0.350 -6.404 1.00 0.00 O ATOM 0 H ASP A 2 1.044 0.623 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.239 -1.934 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.824 0.591 -4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.074 0.089 -6.150 1.00 0.00 H new ATOM 30 N ASN A 3 1.094 -3.030 -5.810 1.00 0.00 N ATOM 31 CA ASN A 3 2.015 -3.791 -6.648 1.00 0.00 C ATOM 32 C ASN A 3 2.530 -2.939 -7.804 1.00 0.00 C ATOM 33 O ASN A 3 3.725 -2.929 -8.096 1.00 0.00 O ATOM 34 CB ASN A 3 1.325 -5.044 -7.191 1.00 0.00 C ATOM 35 CG ASN A 3 1.390 -6.207 -6.219 1.00 0.00 C ATOM 36 OD1 ASN A 3 2.471 -6.618 -5.797 1.00 0.00 O ATOM 37 ND2 ASN A 3 0.229 -6.743 -5.860 1.00 0.00 N ATOM 0 H ASN A 3 0.188 -3.475 -5.667 1.00 0.00 H new ATOM 0 HA ASN A 3 2.865 -4.089 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.282 -4.815 -7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.792 -5.334 -8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.209 -7.528 -5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.643 -6.370 -6.235 1.00 0.00 H new ATOM 44 N ARG A 4 1.619 -2.225 -8.456 1.00 0.00 N ATOM 45 CA ARG A 4 1.980 -1.370 -9.581 1.00 0.00 C ATOM 46 C ARG A 4 2.995 -0.312 -9.155 1.00 0.00 C ATOM 47 O ARG A 4 3.958 -0.037 -9.871 1.00 0.00 O ATOM 48 CB ARG A 4 0.735 -0.694 -10.157 1.00 0.00 C ATOM 49 CG ARG A 4 -0.221 -1.659 -10.839 1.00 0.00 C ATOM 50 CD ARG A 4 -1.111 -0.944 -11.844 1.00 0.00 C ATOM 51 NE ARG A 4 -2.281 -0.344 -11.209 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.313 0.149 -11.885 1.00 0.00 C ATOM 53 NH1 ARG A 4 -3.319 0.113 -13.211 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.341 0.679 -11.236 1.00 0.00 N ATOM 0 H ARG A 4 0.626 -2.221 -8.225 1.00 0.00 H new ATOM 0 HA ARG A 4 2.433 -1.996 -10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.207 -0.179 -9.354 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.044 0.066 -10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.347 -2.439 -11.345 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.840 -2.151 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.536 -0.169 -12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.436 -1.651 -12.608 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.307 -0.301 -10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.530 -0.294 -13.714 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.112 0.492 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.340 0.709 -10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.133 1.057 -11.756 1.00 0.00 H new ATOM 68 N VAL A 5 2.772 0.278 -7.986 1.00 0.00 N ATOM 69 CA VAL A 5 3.666 1.305 -7.464 1.00 0.00 C ATOM 70 C VAL A 5 5.016 0.712 -7.077 1.00 0.00 C ATOM 71 O VAL A 5 6.060 1.329 -7.291 1.00 0.00 O ATOM 72 CB VAL A 5 3.057 2.010 -6.238 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.972 3.123 -5.752 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.674 2.551 -6.568 1.00 0.00 C ATOM 0 H VAL A 5 1.979 0.063 -7.381 1.00 0.00 H new ATOM 0 HA VAL A 5 3.807 2.036 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 5 2.955 1.280 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.525 3.609 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.939 2.704 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.109 3.855 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.258 3.046 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.749 3.266 -7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.023 1.729 -6.863 1.00 0.00 H new ATOM 84 N ARG A 6 4.988 -0.488 -6.506 1.00 0.00 N ATOM 85 CA ARG A 6 6.210 -1.164 -6.088 1.00 0.00 C ATOM 86 C ARG A 6 7.117 -1.438 -7.285 1.00 0.00 C ATOM 87 O ARG A 6 8.341 -1.390 -7.171 1.00 0.00 O ATOM 88 CB ARG A 6 5.875 -2.476 -5.378 1.00 0.00 C ATOM 89 CG ARG A 6 6.030 -2.409 -3.868 1.00 0.00 C ATOM 90 CD ARG A 6 4.774 -2.888 -3.157 1.00 0.00 C ATOM 91 NE ARG A 6 5.060 -3.380 -1.812 1.00 0.00 N ATOM 92 CZ ARG A 6 4.215 -4.124 -1.107 1.00 0.00 C ATOM 93 NH1 ARG A 6 3.039 -4.461 -1.616 1.00 0.00 N ATOM 94 NH2 ARG A 6 4.548 -4.534 0.111 1.00 0.00 N ATOM 0 H ARG A 6 4.132 -1.012 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 6 6.739 -0.509 -5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.849 -2.757 -5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.520 -3.264 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.879 -3.020 -3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.250 -1.384 -3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.056 -2.070 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.307 -3.681 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 6 5.957 -3.139 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.780 -4.149 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.393 -5.032 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.453 -4.278 0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.899 -5.105 0.652 1.00 0.00 H new ATOM 108 N GLU A 7 6.506 -1.724 -8.430 1.00 0.00 N ATOM 109 CA GLU A 7 7.258 -2.007 -9.647 1.00 0.00 C ATOM 110 C GLU A 7 8.091 -0.798 -10.065 1.00 0.00 C ATOM 111 O GLU A 7 9.193 -0.943 -10.593 1.00 0.00 O ATOM 112 CB GLU A 7 6.309 -2.402 -10.780 1.00 0.00 C ATOM 113 CG GLU A 7 6.942 -3.321 -11.812 1.00 0.00 C ATOM 114 CD GLU A 7 6.721 -4.788 -11.500 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.600 -5.144 -11.078 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.669 -5.582 -11.678 1.00 0.00 O ATOM 0 H GLU A 7 5.493 -1.766 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 7 7.932 -2.838 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.435 -2.895 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.956 -1.499 -11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.529 -3.096 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.012 -3.121 -11.863 1.00 0.00 H new ATOM 123 N ALA A 8 7.555 0.394 -9.825 1.00 0.00 N ATOM 124 CA ALA A 8 8.248 1.627 -10.174 1.00 0.00 C ATOM 125 C ALA A 8 9.601 1.713 -9.476 1.00 0.00 C ATOM 126 O ALA A 8 10.570 2.223 -10.040 1.00 0.00 O ATOM 127 CB ALA A 8 7.391 2.833 -9.818 1.00 0.00 C ATOM 0 H ALA A 8 6.643 0.531 -9.390 1.00 0.00 H new ATOM 0 HA ALA A 8 8.423 1.624 -11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.921 3.747 -10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.451 2.786 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.187 2.831 -8.747 1.00 0.00 H new ATOM 133 N CYS A 9 9.660 1.213 -8.246 1.00 0.00 N ATOM 134 CA CYS A 9 10.895 1.235 -7.471 1.00 0.00 C ATOM 135 C CYS A 9 12.002 0.471 -8.189 1.00 0.00 C ATOM 136 O CYS A 9 13.176 0.832 -8.101 1.00 0.00 O ATOM 137 CB CYS A 9 10.661 0.634 -6.084 1.00 0.00 C ATOM 138 SG CYS A 9 12.166 0.441 -5.100 1.00 0.00 S ATOM 0 H CYS A 9 8.867 0.788 -7.765 1.00 0.00 H new ATOM 0 HA CYS A 9 11.208 2.273 -7.362 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.962 1.268 -5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.186 -0.341 -6.197 1.00 0.00 H new ATOM 0 HG CYS A 9 13.206 0.555 -5.871 1.00 0.00 H new ATOM 144 N GLN A 10 11.621 -0.587 -8.898 1.00 0.00 N ATOM 145 CA GLN A 10 12.582 -1.403 -9.629 1.00 0.00 C ATOM 146 C GLN A 10 13.311 -0.574 -10.682 1.00 0.00 C ATOM 147 O GLN A 10 14.527 -0.680 -10.837 1.00 0.00 O ATOM 148 CB GLN A 10 11.877 -2.587 -10.294 1.00 0.00 C ATOM 149 CG GLN A 10 11.077 -3.441 -9.323 1.00 0.00 C ATOM 150 CD GLN A 10 11.957 -4.340 -8.476 1.00 0.00 C ATOM 151 OE1 GLN A 10 13.030 -4.762 -8.907 1.00 0.00 O ATOM 152 NE2 GLN A 10 11.505 -4.637 -7.263 1.00 0.00 N ATOM 0 H GLN A 10 10.653 -0.899 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 10 13.316 -1.780 -8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.210 -2.213 -11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.621 -3.212 -10.787 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.492 -2.792 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.369 -4.053 -9.882 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.609 -4.265 -6.947 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.053 -5.237 -6.647 1.00 0.00 H new ATOM 161 N TYR A 11 12.559 0.251 -11.402 1.00 0.00 N ATOM 162 CA TYR A 11 13.133 1.096 -12.442 1.00 0.00 C ATOM 163 C TYR A 11 14.001 2.194 -11.835 1.00 0.00 C ATOM 164 O TYR A 11 15.134 2.412 -12.263 1.00 0.00 O ATOM 165 CB TYR A 11 12.024 1.719 -13.292 1.00 0.00 C ATOM 166 CG TYR A 11 12.515 2.795 -14.235 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.490 2.519 -15.186 1.00 0.00 C ATOM 168 CD2 TYR A 11 12.006 4.086 -14.174 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.943 3.499 -16.049 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.451 5.071 -15.034 1.00 0.00 C ATOM 171 CZ TYR A 11 13.420 4.772 -15.969 1.00 0.00 C ATOM 172 OH TYR A 11 13.867 5.751 -16.827 1.00 0.00 O ATOM 0 H TYR A 11 11.551 0.352 -11.284 1.00 0.00 H new ATOM 0 HA TYR A 11 13.761 0.471 -13.077 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.538 0.934 -13.871 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.267 2.144 -12.632 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.901 1.522 -15.252 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.249 4.324 -13.441 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.702 3.269 -16.782 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.043 6.069 -14.975 1.00 0.00 H new ATOM 0 HH TYR A 11 14.144 5.342 -17.673 1.00 0.00 H new ATOM 182 N ILE A 12 13.460 2.881 -10.834 1.00 0.00 N ATOM 183 CA ILE A 12 14.184 3.955 -10.166 1.00 0.00 C ATOM 184 C ILE A 12 15.457 3.433 -9.508 1.00 0.00 C ATOM 185 O ILE A 12 16.480 4.117 -9.483 1.00 0.00 O ATOM 186 CB ILE A 12 13.313 4.642 -9.098 1.00 0.00 C ATOM 187 CG1 ILE A 12 12.047 5.218 -9.735 1.00 0.00 C ATOM 188 CG2 ILE A 12 14.103 5.735 -8.393 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.796 4.973 -8.920 1.00 0.00 C ATOM 0 H ILE A 12 12.523 2.713 -10.468 1.00 0.00 H new ATOM 0 HA ILE A 12 14.446 4.684 -10.933 1.00 0.00 H new ATOM 0 HB ILE A 12 13.018 3.899 -8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.176 6.291 -9.874 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.917 4.781 -10.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.474 6.211 -7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.978 5.298 -7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.424 6.479 -9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.938 5.408 -9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.643 3.900 -8.802 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.905 5.434 -7.938 1.00 0.00 H new ATOM 201 N SER A 13 15.387 2.215 -8.979 1.00 0.00 N ATOM 202 CA SER A 13 16.534 1.601 -8.319 1.00 0.00 C ATOM 203 C SER A 13 17.729 1.528 -9.265 1.00 0.00 C ATOM 204 O SER A 13 18.858 1.831 -8.879 1.00 0.00 O ATOM 205 CB SER A 13 16.173 0.199 -7.824 1.00 0.00 C ATOM 206 OG SER A 13 17.329 -0.507 -7.408 1.00 0.00 O ATOM 0 H SER A 13 14.549 1.634 -8.995 1.00 0.00 H new ATOM 0 HA SER A 13 16.807 2.221 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.470 0.272 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.672 -0.353 -8.619 1.00 0.00 H new ATOM 0 HG SER A 13 17.072 -1.399 -7.095 1.00 0.00 H new ATOM 212 N ASP A 14 17.471 1.123 -10.503 1.00 0.00 N ATOM 213 CA ASP A 14 18.525 1.010 -11.505 1.00 0.00 C ATOM 214 C ASP A 14 19.072 2.385 -11.876 1.00 0.00 C ATOM 215 O ASP A 14 20.262 2.537 -12.155 1.00 0.00 O ATOM 216 CB ASP A 14 17.996 0.304 -12.755 1.00 0.00 C ATOM 217 CG ASP A 14 19.081 -0.454 -13.494 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.962 0.201 -14.091 1.00 0.00 O ATOM 219 OD2 ASP A 14 19.050 -1.702 -13.476 1.00 0.00 O ATOM 0 H ASP A 14 16.542 0.867 -10.837 1.00 0.00 H new ATOM 0 HA ASP A 14 19.336 0.419 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.203 -0.388 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.551 1.041 -13.424 1.00 0.00 H new ATOM 224 N HIS A 15 18.195 3.384 -11.879 1.00 0.00 N ATOM 225 CA HIS A 15 18.590 4.747 -12.216 1.00 0.00 C ATOM 226 C HIS A 15 18.889 5.554 -10.956 1.00 0.00 C ATOM 227 O HIS A 15 18.917 6.785 -10.987 1.00 0.00 O ATOM 228 CB HIS A 15 17.490 5.434 -13.026 1.00 0.00 C ATOM 229 CG HIS A 15 17.421 4.976 -14.451 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.508 5.838 -15.523 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.275 3.738 -14.977 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.416 5.150 -16.647 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.275 3.873 -16.343 1.00 0.00 N ATOM 0 H HIS A 15 17.207 3.275 -11.652 1.00 0.00 H new ATOM 0 HA HIS A 15 19.497 4.697 -12.818 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.528 5.250 -12.547 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.655 6.511 -13.007 1.00 0.00 H new ATOM 0 HD2 HIS A 15 17.177 2.815 -14.425 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.450 5.562 -17.645 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.181 3.111 -17.014 1.00 0.00 H new ATOM 241 N LEU A 16 19.111 4.853 -9.850 1.00 0.00 N ATOM 242 CA LEU A 16 19.407 5.504 -8.578 1.00 0.00 C ATOM 243 C LEU A 16 20.702 6.306 -8.666 1.00 0.00 C ATOM 244 O LEU A 16 20.892 7.278 -7.936 1.00 0.00 O ATOM 245 CB LEU A 16 19.513 4.463 -7.462 1.00 0.00 C ATOM 246 CG LEU A 16 19.404 4.997 -6.034 1.00 0.00 C ATOM 247 CD1 LEU A 16 17.986 5.467 -5.746 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.829 3.933 -5.032 1.00 0.00 C ATOM 0 H LEU A 16 19.092 3.834 -9.808 1.00 0.00 H new ATOM 0 HA LEU A 16 18.591 6.190 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.731 3.719 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.468 3.947 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 16 20.075 5.850 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.928 5.844 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.718 6.262 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.295 4.632 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.745 4.331 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.184 3.060 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.863 3.645 -5.224 1.00 0.00 H new ATOM 260 N ALA A 17 21.589 5.892 -9.565 1.00 0.00 N ATOM 261 CA ALA A 17 22.864 6.573 -9.751 1.00 0.00 C ATOM 262 C ALA A 17 22.771 7.618 -10.858 1.00 0.00 C ATOM 263 O ALA A 17 23.580 8.544 -10.920 1.00 0.00 O ATOM 264 CB ALA A 17 23.960 5.566 -10.063 1.00 0.00 C ATOM 0 H ALA A 17 21.448 5.088 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 17 23.113 7.087 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.907 6.089 -10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.051 4.860 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.709 5.026 -10.976 1.00 0.00 H new ATOM 270 N ASP A 18 21.782 7.462 -11.730 1.00 0.00 N ATOM 271 CA ASP A 18 21.583 8.393 -12.836 1.00 0.00 C ATOM 272 C ASP A 18 21.286 9.797 -12.318 1.00 0.00 C ATOM 273 O ASP A 18 20.658 9.963 -11.272 1.00 0.00 O ATOM 274 CB ASP A 18 20.442 7.915 -13.734 1.00 0.00 C ATOM 275 CG ASP A 18 20.623 8.344 -15.177 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.351 7.648 -15.916 1.00 0.00 O ATOM 277 OD2 ASP A 18 20.037 9.375 -15.568 1.00 0.00 O ATOM 0 H ASP A 18 21.105 6.700 -11.693 1.00 0.00 H new ATOM 0 HA ASP A 18 22.503 8.428 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.377 6.828 -13.686 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.498 8.308 -13.357 1.00 0.00 H new ATOM 282 N SER A 19 21.741 10.803 -13.056 1.00 0.00 N ATOM 283 CA SER A 19 21.528 12.193 -12.669 1.00 0.00 C ATOM 284 C SER A 19 20.211 12.718 -13.232 1.00 0.00 C ATOM 285 O SER A 19 19.396 13.287 -12.507 1.00 0.00 O ATOM 286 CB SER A 19 22.687 13.064 -13.157 1.00 0.00 C ATOM 287 OG SER A 19 23.912 12.353 -13.115 1.00 0.00 O ATOM 0 H SER A 19 22.260 10.682 -13.926 1.00 0.00 H new ATOM 0 HA SER A 19 21.482 12.238 -11.581 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.491 13.398 -14.176 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.760 13.958 -12.537 1.00 0.00 H new ATOM 0 HG SER A 19 24.637 12.931 -13.433 1.00 0.00 H new ATOM 293 N ASN A 20 20.010 12.521 -14.531 1.00 0.00 N ATOM 294 CA ASN A 20 18.792 12.975 -15.193 1.00 0.00 C ATOM 295 C ASN A 20 17.654 11.981 -14.980 1.00 0.00 C ATOM 296 O ASN A 20 17.613 10.924 -15.609 1.00 0.00 O ATOM 297 CB ASN A 20 19.042 13.167 -16.690 1.00 0.00 C ATOM 298 CG ASN A 20 20.324 13.926 -16.970 1.00 0.00 C ATOM 299 OD1 ASN A 20 21.415 13.356 -16.942 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.199 15.220 -17.241 1.00 0.00 N ATOM 0 H ASN A 20 20.674 12.050 -15.146 1.00 0.00 H new ATOM 0 HA ASN A 20 18.504 13.930 -14.754 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.087 12.192 -17.176 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.202 13.704 -17.130 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.027 15.782 -17.437 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.275 15.651 -17.254 1.00 0.00 H new ATOM 307 N PHE A 21 16.732 12.328 -14.088 1.00 0.00 N ATOM 308 CA PHE A 21 15.593 11.467 -13.790 1.00 0.00 C ATOM 309 C PHE A 21 14.324 11.998 -14.449 1.00 0.00 C ATOM 310 O PHE A 21 13.966 13.164 -14.282 1.00 0.00 O ATOM 311 CB PHE A 21 15.390 11.359 -12.278 1.00 0.00 C ATOM 312 CG PHE A 21 14.300 10.403 -11.887 1.00 0.00 C ATOM 313 CD1 PHE A 21 14.208 9.155 -12.482 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.367 10.751 -10.923 1.00 0.00 C ATOM 315 CE1 PHE A 21 13.205 8.274 -12.124 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.363 9.874 -10.560 1.00 0.00 C ATOM 317 CZ PHE A 21 12.282 8.633 -11.162 1.00 0.00 C ATOM 0 H PHE A 21 16.751 13.200 -13.559 1.00 0.00 H new ATOM 0 HA PHE A 21 15.803 10.476 -14.192 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.324 11.041 -11.816 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.157 12.346 -11.879 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.928 8.867 -13.234 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.426 11.720 -10.450 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.143 7.305 -12.597 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.643 10.158 -9.807 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.498 7.945 -10.881 1.00 0.00 H new ATOM 327 N ASP A 22 13.648 11.134 -15.198 1.00 0.00 N ATOM 328 CA ASP A 22 12.417 11.514 -15.882 1.00 0.00 C ATOM 329 C ASP A 22 11.229 10.722 -15.345 1.00 0.00 C ATOM 330 O ASP A 22 11.126 9.514 -15.564 1.00 0.00 O ATOM 331 CB ASP A 22 12.556 11.290 -17.389 1.00 0.00 C ATOM 332 CG ASP A 22 11.381 11.848 -18.168 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.644 12.687 -17.610 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.198 11.444 -19.336 1.00 0.00 O ATOM 0 H ASP A 22 13.931 10.166 -15.347 1.00 0.00 H new ATOM 0 HA ASP A 22 12.239 12.573 -15.694 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.476 11.758 -17.740 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.646 10.222 -17.588 1.00 0.00 H new ATOM 339 N ILE A 23 10.336 11.409 -14.641 1.00 0.00 N ATOM 340 CA ILE A 23 9.156 10.769 -14.073 1.00 0.00 C ATOM 341 C ILE A 23 8.327 10.086 -15.154 1.00 0.00 C ATOM 342 O ILE A 23 7.576 9.151 -14.877 1.00 0.00 O ATOM 343 CB ILE A 23 8.270 11.784 -13.326 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.191 11.056 -12.522 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.640 12.760 -14.308 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.283 11.987 -11.749 1.00 0.00 C ATOM 0 H ILE A 23 10.407 12.408 -14.450 1.00 0.00 H new ATOM 0 HA ILE A 23 9.513 10.020 -13.365 1.00 0.00 H new ATOM 0 HB ILE A 23 8.894 12.349 -12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.587 10.454 -13.201 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.670 10.368 -11.826 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.017 13.471 -13.765 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.425 13.298 -14.840 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.026 12.212 -15.023 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.543 11.403 -11.203 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.875 12.571 -11.045 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.776 12.659 -12.442 1.00 0.00 H new ATOM 358 N ALA A 24 8.469 10.559 -16.388 1.00 0.00 N ATOM 359 CA ALA A 24 7.736 9.991 -17.513 1.00 0.00 C ATOM 360 C ALA A 24 8.047 8.508 -17.679 1.00 0.00 C ATOM 361 O ALA A 24 7.146 7.693 -17.881 1.00 0.00 O ATOM 362 CB ALA A 24 8.063 10.747 -18.792 1.00 0.00 C ATOM 0 H ALA A 24 9.085 11.334 -16.634 1.00 0.00 H new ATOM 0 HA ALA A 24 6.670 10.091 -17.307 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.509 10.312 -19.624 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.783 11.794 -18.677 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.132 10.677 -18.993 1.00 0.00 H new ATOM 368 N SER A 25 9.328 8.163 -17.593 1.00 0.00 N ATOM 369 CA SER A 25 9.758 6.777 -17.738 1.00 0.00 C ATOM 370 C SER A 25 9.197 5.914 -16.612 1.00 0.00 C ATOM 371 O SER A 25 8.961 4.719 -16.790 1.00 0.00 O ATOM 372 CB SER A 25 11.286 6.694 -17.747 1.00 0.00 C ATOM 373 OG SER A 25 11.824 7.319 -18.899 1.00 0.00 O ATOM 0 H SER A 25 10.086 8.824 -17.424 1.00 0.00 H new ATOM 0 HA SER A 25 9.375 6.400 -18.686 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.684 7.171 -16.851 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.597 5.650 -17.717 1.00 0.00 H new ATOM 0 HG SER A 25 12.796 7.396 -18.805 1.00 0.00 H new ATOM 379 N VAL A 26 8.985 6.528 -15.453 1.00 0.00 N ATOM 380 CA VAL A 26 8.451 5.817 -14.297 1.00 0.00 C ATOM 381 C VAL A 26 7.030 5.332 -14.560 1.00 0.00 C ATOM 382 O VAL A 26 6.701 4.174 -14.305 1.00 0.00 O ATOM 383 CB VAL A 26 8.454 6.707 -13.040 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.929 5.935 -11.839 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.852 7.243 -12.771 1.00 0.00 C ATOM 0 H VAL A 26 9.175 7.517 -15.289 1.00 0.00 H new ATOM 0 HA VAL A 26 9.100 4.958 -14.126 1.00 0.00 H new ATOM 0 HB VAL A 26 7.792 7.555 -13.214 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.938 6.579 -10.960 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.909 5.605 -12.036 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.563 5.067 -11.659 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.836 7.870 -11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.538 6.410 -12.617 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.185 7.834 -13.624 1.00 0.00 H new ATOM 395 N ALA A 27 6.190 6.226 -15.071 1.00 0.00 N ATOM 396 CA ALA A 27 4.804 5.889 -15.371 1.00 0.00 C ATOM 397 C ALA A 27 4.718 4.892 -16.521 1.00 0.00 C ATOM 398 O ALA A 27 3.902 3.971 -16.496 1.00 0.00 O ATOM 399 CB ALA A 27 4.014 7.147 -15.701 1.00 0.00 C ATOM 0 H ALA A 27 6.445 7.190 -15.286 1.00 0.00 H new ATOM 0 HA ALA A 27 4.370 5.422 -14.487 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.981 6.880 -15.923 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.038 7.826 -14.849 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.456 7.637 -16.568 1.00 0.00 H new ATOM 405 N GLN A 28 5.565 5.082 -17.528 1.00 0.00 N ATOM 406 CA GLN A 28 5.583 4.199 -18.688 1.00 0.00 C ATOM 407 C GLN A 28 5.958 2.777 -18.284 1.00 0.00 C ATOM 408 O GLN A 28 5.429 1.806 -18.826 1.00 0.00 O ATOM 409 CB GLN A 28 6.567 4.720 -19.737 1.00 0.00 C ATOM 410 CG GLN A 28 6.706 3.809 -20.946 1.00 0.00 C ATOM 411 CD GLN A 28 7.444 4.471 -22.094 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.433 3.940 -22.600 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.965 5.637 -22.511 1.00 0.00 N ATOM 0 H GLN A 28 6.247 5.839 -17.564 1.00 0.00 H new ATOM 0 HA GLN A 28 4.581 4.183 -19.116 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.242 5.705 -20.070 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.545 4.847 -19.274 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.235 2.902 -20.654 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.715 3.505 -21.283 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.143 6.040 -22.062 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.419 6.129 -23.280 1.00 0.00 H new ATOM 422 N HIS A 29 6.876 2.661 -17.329 1.00 0.00 N ATOM 423 CA HIS A 29 7.322 1.357 -16.852 1.00 0.00 C ATOM 424 C HIS A 29 6.147 0.541 -16.322 1.00 0.00 C ATOM 425 O HIS A 29 6.112 -0.681 -16.465 1.00 0.00 O ATOM 426 CB HIS A 29 8.376 1.524 -15.758 1.00 0.00 C ATOM 427 CG HIS A 29 8.697 0.252 -15.035 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.768 -0.973 -15.664 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.968 0.019 -13.730 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.067 -1.905 -14.776 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.194 -1.329 -13.595 1.00 0.00 N ATOM 0 H HIS A 29 7.325 3.454 -16.871 1.00 0.00 H new ATOM 0 HA HIS A 29 7.763 0.822 -17.693 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.289 1.920 -16.202 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.026 2.263 -15.038 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.001 0.756 -12.941 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.187 -2.958 -14.982 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.423 -1.807 -12.724 1.00 0.00 H new ATOM 439 N VAL A 30 5.186 1.225 -15.709 1.00 0.00 N ATOM 440 CA VAL A 30 4.009 0.564 -15.158 1.00 0.00 C ATOM 441 C VAL A 30 2.838 0.624 -16.133 1.00 0.00 C ATOM 442 O VAL A 30 1.688 0.399 -15.753 1.00 0.00 O ATOM 443 CB VAL A 30 3.583 1.199 -13.821 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.697 1.077 -12.793 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.191 2.655 -14.024 1.00 0.00 C ATOM 0 H VAL A 30 5.200 2.237 -15.581 1.00 0.00 H new ATOM 0 HA VAL A 30 4.282 -0.477 -14.986 1.00 0.00 H new ATOM 0 HB VAL A 30 2.713 0.661 -13.444 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.378 1.531 -11.855 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.925 0.024 -12.627 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.587 1.588 -13.159 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.893 3.088 -13.069 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.041 3.208 -14.424 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.358 2.713 -14.725 1.00 0.00 H new ATOM 455 N CYS A 31 3.138 0.929 -17.391 1.00 0.00 N ATOM 456 CA CYS A 31 2.109 1.019 -18.421 1.00 0.00 C ATOM 457 C CYS A 31 0.971 1.930 -17.975 1.00 0.00 C ATOM 458 O CYS A 31 -0.198 1.670 -18.265 1.00 0.00 O ATOM 459 CB CYS A 31 1.566 -0.371 -18.752 1.00 0.00 C ATOM 460 SG CYS A 31 2.830 -1.549 -19.287 1.00 0.00 S ATOM 0 H CYS A 31 4.084 1.118 -17.722 1.00 0.00 H new ATOM 0 HA CYS A 31 2.562 1.446 -19.316 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.061 -0.771 -17.873 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.815 -0.279 -19.537 1.00 0.00 H new ATOM 0 HG CYS A 31 2.274 -2.696 -19.542 1.00 0.00 H new ATOM 466 N LEU A 32 1.318 2.999 -17.266 1.00 0.00 N ATOM 467 CA LEU A 32 0.325 3.949 -16.777 1.00 0.00 C ATOM 468 C LEU A 32 0.817 5.383 -16.939 1.00 0.00 C ATOM 469 O LEU A 32 2.007 5.622 -17.144 1.00 0.00 O ATOM 470 CB LEU A 32 0.004 3.670 -15.307 1.00 0.00 C ATOM 471 CG LEU A 32 -1.380 4.107 -14.828 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.468 3.369 -15.593 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.526 3.872 -13.331 1.00 0.00 C ATOM 0 H LEU A 32 2.280 3.229 -17.017 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.581 3.827 -17.370 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.106 2.599 -15.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.753 4.168 -14.691 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.489 5.174 -15.021 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.446 3.693 -15.238 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.377 3.588 -16.657 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.361 2.296 -15.433 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.518 4.189 -13.008 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.396 2.812 -13.115 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.769 4.447 -12.797 1.00 0.00 H new ATOM 485 N SER A 33 -0.106 6.335 -16.843 1.00 0.00 N ATOM 486 CA SER A 33 0.234 7.746 -16.980 1.00 0.00 C ATOM 487 C SER A 33 0.959 8.254 -15.738 1.00 0.00 C ATOM 488 O SER A 33 0.884 7.665 -14.659 1.00 0.00 O ATOM 489 CB SER A 33 -1.029 8.575 -17.222 1.00 0.00 C ATOM 490 OG SER A 33 -1.317 8.673 -18.606 1.00 0.00 O ATOM 0 H SER A 33 -1.095 6.154 -16.671 1.00 0.00 H new ATOM 0 HA SER A 33 0.900 7.852 -17.836 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.872 8.119 -16.703 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.899 9.573 -16.803 1.00 0.00 H new ATOM 0 HG SER A 33 -2.129 9.206 -18.734 1.00 0.00 H new ATOM 496 N PRO A 34 1.680 9.374 -15.891 1.00 0.00 N ATOM 497 CA PRO A 34 2.433 9.988 -14.793 1.00 0.00 C ATOM 498 C PRO A 34 1.521 10.602 -13.737 1.00 0.00 C ATOM 499 O PRO A 34 1.790 10.506 -12.539 1.00 0.00 O ATOM 500 CB PRO A 34 3.254 11.076 -15.490 1.00 0.00 C ATOM 501 CG PRO A 34 2.476 11.409 -16.716 1.00 0.00 C ATOM 502 CD PRO A 34 1.815 10.130 -17.148 1.00 0.00 C ATOM 0 HA PRO A 34 3.038 9.258 -14.255 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.378 11.950 -14.850 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.253 10.719 -15.740 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.735 12.181 -16.510 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.128 11.795 -17.499 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.846 10.315 -17.612 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.420 9.592 -17.878 1.00 0.00 H new ATOM 510 N SER A 35 0.442 11.232 -14.188 1.00 0.00 N ATOM 511 CA SER A 35 -0.509 11.865 -13.281 1.00 0.00 C ATOM 512 C SER A 35 -1.247 10.819 -12.451 1.00 0.00 C ATOM 513 O SER A 35 -1.376 10.955 -11.234 1.00 0.00 O ATOM 514 CB SER A 35 -1.513 12.709 -14.068 1.00 0.00 C ATOM 515 OG SER A 35 -0.987 13.994 -14.352 1.00 0.00 O ATOM 0 H SER A 35 0.204 11.318 -15.176 1.00 0.00 H new ATOM 0 HA SER A 35 0.048 12.513 -12.605 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.767 12.203 -14.999 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.436 12.808 -13.497 1.00 0.00 H new ATOM 0 HG SER A 35 -1.647 14.513 -14.857 1.00 0.00 H new ATOM 521 N ARG A 36 -1.729 9.776 -13.118 1.00 0.00 N ATOM 522 CA ARG A 36 -2.456 8.707 -12.444 1.00 0.00 C ATOM 523 C ARG A 36 -1.544 7.954 -11.479 1.00 0.00 C ATOM 524 O ARG A 36 -1.937 7.639 -10.355 1.00 0.00 O ATOM 525 CB ARG A 36 -3.045 7.736 -13.469 1.00 0.00 C ATOM 526 CG ARG A 36 -4.141 6.847 -12.905 1.00 0.00 C ATOM 527 CD ARG A 36 -5.425 7.627 -12.669 1.00 0.00 C ATOM 528 NE ARG A 36 -5.903 8.276 -13.887 1.00 0.00 N ATOM 529 CZ ARG A 36 -6.789 9.266 -13.893 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.291 9.718 -12.752 1.00 0.00 N ATOM 531 NH2 ARG A 36 -7.175 9.806 -15.042 1.00 0.00 N ATOM 0 H ARG A 36 -1.629 9.648 -14.125 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.268 9.158 -11.873 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.446 8.305 -14.308 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.246 7.108 -13.863 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.335 6.025 -13.594 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.805 6.404 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.194 6.953 -12.291 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.255 8.380 -11.900 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.537 7.951 -14.782 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.997 9.306 -11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.971 10.478 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.791 9.461 -15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.855 10.566 -15.045 1.00 0.00 H new ATOM 545 N LEU A 37 -0.326 7.669 -11.926 1.00 0.00 N ATOM 546 CA LEU A 37 0.642 6.953 -11.104 1.00 0.00 C ATOM 547 C LEU A 37 1.107 7.815 -9.934 1.00 0.00 C ATOM 548 O LEU A 37 1.198 7.344 -8.801 1.00 0.00 O ATOM 549 CB LEU A 37 1.845 6.529 -11.949 1.00 0.00 C ATOM 550 CG LEU A 37 3.006 5.886 -11.190 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.720 4.416 -10.922 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.305 6.045 -11.966 1.00 0.00 C ATOM 0 H LEU A 37 0.014 7.923 -12.853 1.00 0.00 H new ATOM 0 HA LEU A 37 0.154 6.064 -10.705 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.501 5.827 -12.708 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.222 7.407 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 37 3.114 6.395 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.557 3.975 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.813 4.325 -10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.584 3.893 -11.869 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.120 5.581 -11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.209 5.563 -12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.518 7.105 -12.106 1.00 0.00 H new ATOM 564 N SER A 38 1.398 9.080 -10.218 1.00 0.00 N ATOM 565 CA SER A 38 1.855 10.008 -9.190 1.00 0.00 C ATOM 566 C SER A 38 0.811 10.155 -8.088 1.00 0.00 C ATOM 567 O SER A 38 1.146 10.223 -6.904 1.00 0.00 O ATOM 568 CB SER A 38 2.158 11.376 -9.806 1.00 0.00 C ATOM 569 OG SER A 38 1.000 11.935 -10.401 1.00 0.00 O ATOM 0 H SER A 38 1.326 9.486 -11.151 1.00 0.00 H new ATOM 0 HA SER A 38 2.767 9.604 -8.751 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.536 12.049 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.943 11.275 -10.555 1.00 0.00 H new ATOM 0 HG SER A 38 0.385 11.217 -10.657 1.00 0.00 H new ATOM 575 N HIS A 39 -0.457 10.203 -8.484 1.00 0.00 N ATOM 576 CA HIS A 39 -1.552 10.341 -7.530 1.00 0.00 C ATOM 577 C HIS A 39 -1.558 9.181 -6.539 1.00 0.00 C ATOM 578 O HIS A 39 -1.642 9.386 -5.328 1.00 0.00 O ATOM 579 CB HIS A 39 -2.891 10.406 -8.265 1.00 0.00 C ATOM 580 CG HIS A 39 -4.059 10.652 -7.360 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.704 11.868 -7.278 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.699 9.828 -6.497 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.689 11.782 -6.402 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.708 10.555 -5.914 1.00 0.00 N ATOM 0 H HIS A 39 -0.752 10.148 -9.459 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.405 11.268 -6.976 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.848 11.198 -9.013 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.048 9.470 -8.801 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.461 8.793 -6.303 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.364 12.580 -6.131 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.365 10.204 -5.217 1.00 0.00 H new ATOM 592 N LEU A 40 -1.470 7.962 -7.061 1.00 0.00 N ATOM 593 CA LEU A 40 -1.466 6.769 -6.222 1.00 0.00 C ATOM 594 C LEU A 40 -0.147 6.640 -5.465 1.00 0.00 C ATOM 595 O LEU A 40 -0.108 6.120 -4.350 1.00 0.00 O ATOM 596 CB LEU A 40 -1.702 5.521 -7.075 1.00 0.00 C ATOM 597 CG LEU A 40 -2.971 5.521 -7.927 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.126 4.194 -8.654 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.192 5.805 -7.065 1.00 0.00 C ATOM 0 H LEU A 40 -1.400 7.774 -8.061 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.273 6.863 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.845 5.389 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.732 4.654 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.885 6.312 -8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.035 4.213 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.265 4.032 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.189 3.385 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.086 5.801 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.282 5.037 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.084 6.781 -6.591 1.00 0.00 H new ATOM 611 N PHE A 41 0.930 7.118 -6.079 1.00 0.00 N ATOM 612 CA PHE A 41 2.251 7.057 -5.463 1.00 0.00 C ATOM 613 C PHE A 41 2.265 7.804 -4.132 1.00 0.00 C ATOM 614 O PHE A 41 2.713 7.275 -3.115 1.00 0.00 O ATOM 615 CB PHE A 41 3.303 7.647 -6.403 1.00 0.00 C ATOM 616 CG PHE A 41 4.570 6.842 -6.465 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.596 7.070 -5.562 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.735 5.858 -7.426 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.763 6.332 -5.617 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.899 5.116 -7.486 1.00 0.00 C ATOM 621 CZ PHE A 41 6.914 5.353 -6.580 1.00 0.00 C ATOM 0 H PHE A 41 0.914 7.552 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 41 2.489 6.010 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.881 7.724 -7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.541 8.660 -6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.482 7.833 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.944 5.669 -8.137 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.556 6.520 -4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.015 4.352 -8.240 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.825 4.774 -6.624 1.00 0.00 H new ATOM 631 N ARG A 42 1.772 9.038 -4.148 1.00 0.00 N ATOM 632 CA ARG A 42 1.729 9.860 -2.945 1.00 0.00 C ATOM 633 C ARG A 42 0.726 9.300 -1.940 1.00 0.00 C ATOM 634 O ARG A 42 0.852 9.520 -0.736 1.00 0.00 O ATOM 635 CB ARG A 42 1.362 11.302 -3.299 1.00 0.00 C ATOM 636 CG ARG A 42 1.509 12.271 -2.136 1.00 0.00 C ATOM 637 CD ARG A 42 1.680 13.701 -2.622 1.00 0.00 C ATOM 638 NE ARG A 42 0.396 14.351 -2.875 1.00 0.00 N ATOM 639 CZ ARG A 42 -0.393 14.818 -1.914 1.00 0.00 C ATOM 640 NH1 ARG A 42 -0.032 14.708 -0.643 1.00 0.00 N ATOM 641 NH2 ARG A 42 -1.546 15.396 -2.223 1.00 0.00 N ATOM 0 H ARG A 42 1.397 9.491 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 42 2.720 9.846 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.993 11.637 -4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.332 11.329 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.631 12.206 -1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.369 11.986 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.235 14.273 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.274 13.705 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 42 0.089 14.452 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.854 14.264 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.640 15.068 0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.828 15.482 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.151 15.754 -1.484 1.00 0.00 H new ATOM 655 N GLN A 43 -0.269 8.578 -2.445 1.00 0.00 N ATOM 656 CA GLN A 43 -1.294 7.989 -1.591 1.00 0.00 C ATOM 657 C GLN A 43 -0.773 6.730 -0.905 1.00 0.00 C ATOM 658 O GLN A 43 -1.047 6.495 0.271 1.00 0.00 O ATOM 659 CB GLN A 43 -2.542 7.658 -2.411 1.00 0.00 C ATOM 660 CG GLN A 43 -3.787 7.446 -1.565 1.00 0.00 C ATOM 661 CD GLN A 43 -4.521 8.740 -1.272 1.00 0.00 C ATOM 662 OE1 GLN A 43 -4.383 9.723 -2.000 1.00 0.00 O ATOM 663 NE2 GLN A 43 -5.307 8.746 -0.202 1.00 0.00 N ATOM 0 H GLN A 43 -0.387 8.387 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.555 8.718 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.727 8.466 -3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.354 6.759 -2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.459 6.760 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.506 6.971 -0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.392 7.908 0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.826 9.589 0.045 1.00 0.00 H new ATOM 672 N GLN A 44 -0.021 5.925 -1.649 1.00 0.00 N ATOM 673 CA GLN A 44 0.537 4.689 -1.111 1.00 0.00 C ATOM 674 C GLN A 44 1.807 4.967 -0.315 1.00 0.00 C ATOM 675 O GLN A 44 2.041 4.362 0.732 1.00 0.00 O ATOM 676 CB GLN A 44 0.835 3.705 -2.244 1.00 0.00 C ATOM 677 CG GLN A 44 -0.407 3.227 -2.978 1.00 0.00 C ATOM 678 CD GLN A 44 -1.153 2.146 -2.221 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.720 1.706 -1.156 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.282 1.712 -2.768 1.00 0.00 N ATOM 0 H GLN A 44 0.216 6.106 -2.625 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.200 4.248 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.509 4.179 -2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.360 2.842 -1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.073 4.073 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.121 2.847 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.604 2.105 -3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.827 0.986 -2.304 1.00 0.00 H new ATOM 689 N LEU A 45 2.626 5.885 -0.817 1.00 0.00 N ATOM 690 CA LEU A 45 3.874 6.243 -0.152 1.00 0.00 C ATOM 691 C LEU A 45 3.650 7.363 0.858 1.00 0.00 C ATOM 692 O LEU A 45 4.483 7.599 1.733 1.00 0.00 O ATOM 693 CB LEU A 45 4.919 6.672 -1.184 1.00 0.00 C ATOM 694 CG LEU A 45 6.281 5.983 -1.085 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.998 6.026 -2.425 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.130 6.633 -0.003 1.00 0.00 C ATOM 0 H LEU A 45 2.448 6.395 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 45 4.238 5.365 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.514 6.490 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.071 7.748 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 45 6.121 4.939 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.965 5.531 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.396 5.514 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.147 7.063 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.095 6.130 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.283 7.685 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.621 6.550 0.957 1.00 0.00 H new ATOM 708 N GLY A 46 2.519 8.049 0.733 1.00 0.00 N ATOM 709 CA GLY A 46 2.205 9.135 1.644 1.00 0.00 C ATOM 710 C GLY A 46 3.130 10.323 1.470 1.00 0.00 C ATOM 711 O GLY A 46 3.102 11.261 2.267 1.00 0.00 O ATOM 0 H GLY A 46 1.814 7.873 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.175 9.454 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.271 8.775 2.671 1.00 0.00 H new ATOM 715 N ILE A 47 3.953 10.282 0.428 1.00 0.00 N ATOM 716 CA ILE A 47 4.891 11.364 0.153 1.00 0.00 C ATOM 717 C ILE A 47 5.151 11.500 -1.343 1.00 0.00 C ATOM 718 O ILE A 47 4.714 10.667 -2.138 1.00 0.00 O ATOM 719 CB ILE A 47 6.233 11.143 0.878 1.00 0.00 C ATOM 720 CG1 ILE A 47 6.971 9.946 0.276 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.002 10.936 2.367 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.295 9.654 0.946 1.00 0.00 C ATOM 0 H ILE A 47 3.990 9.512 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 47 4.433 12.281 0.524 1.00 0.00 H new ATOM 0 HB ILE A 47 6.852 12.031 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.335 9.064 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.142 10.131 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.959 10.781 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.513 11.816 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.368 10.062 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.763 8.793 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.949 10.521 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.129 9.437 2.001 1.00 0.00 H new ATOM 734 N SER A 48 5.867 12.554 -1.721 1.00 0.00 N ATOM 735 CA SER A 48 6.184 12.800 -3.123 1.00 0.00 C ATOM 736 C SER A 48 7.313 11.889 -3.593 1.00 0.00 C ATOM 737 O SER A 48 8.214 11.551 -2.825 1.00 0.00 O ATOM 738 CB SER A 48 6.576 14.265 -3.329 1.00 0.00 C ATOM 739 OG SER A 48 5.837 15.116 -2.471 1.00 0.00 O ATOM 0 H SER A 48 6.239 13.251 -1.076 1.00 0.00 H new ATOM 0 HA SER A 48 5.295 12.582 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.642 14.389 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.401 14.549 -4.367 1.00 0.00 H new ATOM 0 HG SER A 48 6.107 16.046 -2.621 1.00 0.00 H new ATOM 745 N VAL A 49 7.257 11.493 -4.861 1.00 0.00 N ATOM 746 CA VAL A 49 8.274 10.621 -5.435 1.00 0.00 C ATOM 747 C VAL A 49 9.671 11.199 -5.233 1.00 0.00 C ATOM 748 O VAL A 49 10.619 10.470 -4.939 1.00 0.00 O ATOM 749 CB VAL A 49 8.037 10.398 -6.941 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.013 9.368 -7.488 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.599 9.969 -7.195 1.00 0.00 C ATOM 0 H VAL A 49 6.518 11.763 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 49 8.200 9.665 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 49 8.210 11.340 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.831 9.224 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.034 9.719 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.875 8.422 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.448 9.816 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.397 9.039 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.920 10.744 -6.840 1.00 0.00 H new ATOM 761 N LEU A 50 9.790 12.512 -5.392 1.00 0.00 N ATOM 762 CA LEU A 50 11.072 13.189 -5.226 1.00 0.00 C ATOM 763 C LEU A 50 11.592 13.029 -3.801 1.00 0.00 C ATOM 764 O LEU A 50 12.793 12.874 -3.582 1.00 0.00 O ATOM 765 CB LEU A 50 10.934 14.674 -5.567 1.00 0.00 C ATOM 766 CG LEU A 50 10.284 14.996 -6.913 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.327 16.492 -7.182 1.00 0.00 C ATOM 768 CD2 LEU A 50 10.971 14.231 -8.034 1.00 0.00 C ATOM 0 H LEU A 50 9.015 13.129 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 50 11.788 12.731 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.351 15.154 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.926 15.124 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 50 9.240 14.684 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.860 16.702 -8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.788 17.019 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.364 16.829 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.495 14.473 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.024 14.511 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.887 13.160 -7.848 1.00 0.00 H new ATOM 780 N SER A 51 10.679 13.066 -2.836 1.00 0.00 N ATOM 781 CA SER A 51 11.045 12.926 -1.431 1.00 0.00 C ATOM 782 C SER A 51 11.432 11.486 -1.111 1.00 0.00 C ATOM 783 O SER A 51 12.413 11.236 -0.411 1.00 0.00 O ATOM 784 CB SER A 51 9.887 13.367 -0.534 1.00 0.00 C ATOM 785 OG SER A 51 10.126 13.014 0.817 1.00 0.00 O ATOM 0 H SER A 51 9.680 13.192 -3.001 1.00 0.00 H new ATOM 0 HA SER A 51 11.907 13.566 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.752 14.446 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.961 12.904 -0.876 1.00 0.00 H new ATOM 0 HG SER A 51 9.372 13.308 1.370 1.00 0.00 H new ATOM 791 N TRP A 52 10.654 10.542 -1.629 1.00 0.00 N ATOM 792 CA TRP A 52 10.913 9.126 -1.399 1.00 0.00 C ATOM 793 C TRP A 52 12.302 8.739 -1.897 1.00 0.00 C ATOM 794 O TRP A 52 13.026 7.998 -1.231 1.00 0.00 O ATOM 795 CB TRP A 52 9.852 8.272 -2.095 1.00 0.00 C ATOM 796 CG TRP A 52 10.165 6.806 -2.079 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.123 5.970 -1.000 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.571 6.005 -3.194 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.477 4.698 -1.377 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.756 4.692 -2.718 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.793 6.268 -4.549 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.154 3.648 -3.549 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.189 5.231 -5.372 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.365 3.934 -4.871 1.00 0.00 C ATOM 0 H TRP A 52 9.838 10.732 -2.211 1.00 0.00 H new ATOM 0 HA TRP A 52 10.868 8.944 -0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.889 8.436 -1.611 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.750 8.603 -3.128 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.851 6.266 0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.525 3.888 -0.758 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.657 7.263 -4.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.291 2.648 -3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.366 5.423 -6.420 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.673 3.145 -5.541 1.00 0.00 H new ATOM 815 N ARG A 53 12.667 9.245 -3.070 1.00 0.00 N ATOM 816 CA ARG A 53 13.969 8.951 -3.657 1.00 0.00 C ATOM 817 C ARG A 53 15.096 9.421 -2.742 1.00 0.00 C ATOM 818 O ARG A 53 16.049 8.686 -2.488 1.00 0.00 O ATOM 819 CB ARG A 53 14.097 9.619 -5.027 1.00 0.00 C ATOM 820 CG ARG A 53 15.386 9.274 -5.754 1.00 0.00 C ATOM 821 CD ARG A 53 15.238 9.436 -7.259 1.00 0.00 C ATOM 822 NE ARG A 53 16.286 10.280 -7.825 1.00 0.00 N ATOM 823 CZ ARG A 53 16.305 11.604 -7.712 1.00 0.00 C ATOM 824 NH1 ARG A 53 15.338 12.230 -7.057 1.00 0.00 N ATOM 825 NH2 ARG A 53 17.294 12.303 -8.255 1.00 0.00 N ATOM 0 H ARG A 53 12.080 9.860 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 53 14.050 7.871 -3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.250 9.324 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.039 10.700 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.190 9.916 -5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.671 8.247 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.267 8.455 -7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.263 9.870 -7.483 1.00 0.00 H new ATOM 0 HE ARG A 53 17.045 9.829 -8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.577 11.696 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.355 13.246 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.040 11.824 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.308 13.319 -8.168 1.00 0.00 H new ATOM 839 N GLU A 54 14.979 10.651 -2.252 1.00 0.00 N ATOM 840 CA GLU A 54 15.989 11.219 -1.367 1.00 0.00 C ATOM 841 C GLU A 54 16.035 10.467 -0.040 1.00 0.00 C ATOM 842 O GLU A 54 17.111 10.165 0.477 1.00 0.00 O ATOM 843 CB GLU A 54 15.704 12.702 -1.116 1.00 0.00 C ATOM 844 CG GLU A 54 16.744 13.382 -0.243 1.00 0.00 C ATOM 845 CD GLU A 54 16.530 14.880 -0.140 1.00 0.00 C ATOM 846 OE1 GLU A 54 16.968 15.606 -1.057 1.00 0.00 O ATOM 847 OE2 GLU A 54 15.925 15.326 0.858 1.00 0.00 O ATOM 0 H GLU A 54 14.196 11.273 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 54 16.959 11.120 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.651 13.220 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.726 12.801 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.717 12.945 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.737 13.188 -0.649 1.00 0.00 H new ATOM 854 N ASP A 55 14.861 10.169 0.505 1.00 0.00 N ATOM 855 CA ASP A 55 14.766 9.451 1.771 1.00 0.00 C ATOM 856 C ASP A 55 15.533 8.134 1.708 1.00 0.00 C ATOM 857 O ASP A 55 16.326 7.825 2.597 1.00 0.00 O ATOM 858 CB ASP A 55 13.302 9.187 2.123 1.00 0.00 C ATOM 859 CG ASP A 55 13.109 8.855 3.590 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.767 7.911 4.075 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.301 9.539 4.252 1.00 0.00 O ATOM 0 H ASP A 55 13.962 10.413 0.090 1.00 0.00 H new ATOM 0 HA ASP A 55 15.212 10.073 2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.707 10.065 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.928 8.363 1.515 1.00 0.00 H new ATOM 866 N GLN A 56 15.291 7.364 0.653 1.00 0.00 N ATOM 867 CA GLN A 56 15.958 6.079 0.476 1.00 0.00 C ATOM 868 C GLN A 56 17.454 6.269 0.251 1.00 0.00 C ATOM 869 O GLN A 56 18.266 5.455 0.690 1.00 0.00 O ATOM 870 CB GLN A 56 15.345 5.320 -0.702 1.00 0.00 C ATOM 871 CG GLN A 56 13.904 4.896 -0.470 1.00 0.00 C ATOM 872 CD GLN A 56 13.763 3.911 0.674 1.00 0.00 C ATOM 873 OE1 GLN A 56 13.521 4.300 1.817 1.00 0.00 O ATOM 874 NE2 GLN A 56 13.912 2.627 0.371 1.00 0.00 N ATOM 0 H GLN A 56 14.638 7.607 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 56 15.817 5.497 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.391 5.948 -1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.947 4.434 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.299 5.778 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.510 4.447 -1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.112 2.350 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.827 1.918 1.099 1.00 0.00 H new ATOM 883 N ARG A 57 17.811 7.349 -0.437 1.00 0.00 N ATOM 884 CA ARG A 57 19.210 7.645 -0.722 1.00 0.00 C ATOM 885 C ARG A 57 20.010 7.789 0.570 1.00 0.00 C ATOM 886 O ARG A 57 21.106 7.243 0.696 1.00 0.00 O ATOM 887 CB ARG A 57 19.324 8.926 -1.550 1.00 0.00 C ATOM 888 CG ARG A 57 19.139 8.705 -3.043 1.00 0.00 C ATOM 889 CD ARG A 57 18.908 10.017 -3.776 1.00 0.00 C ATOM 890 NE ARG A 57 19.383 9.963 -5.156 1.00 0.00 N ATOM 891 CZ ARG A 57 19.457 11.026 -5.949 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.090 12.219 -5.501 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.899 10.897 -7.194 1.00 0.00 N ATOM 0 H ARG A 57 17.151 8.033 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 57 19.622 6.813 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.578 9.641 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.302 9.375 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.020 8.210 -3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.293 8.039 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.844 10.255 -3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 57 19.419 10.822 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 57 19.674 9.060 -5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.750 12.322 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.148 13.033 -6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 57 20.182 9.981 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.955 11.714 -7.802 1.00 0.00 H new ATOM 907 N ILE A 58 19.453 8.527 1.524 1.00 0.00 N ATOM 908 CA ILE A 58 20.114 8.742 2.806 1.00 0.00 C ATOM 909 C ILE A 58 20.119 7.467 3.643 1.00 0.00 C ATOM 910 O ILE A 58 21.138 7.098 4.226 1.00 0.00 O ATOM 911 CB ILE A 58 19.435 9.867 3.608 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.431 11.167 2.802 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.138 10.066 4.942 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.816 11.666 2.455 1.00 0.00 C ATOM 0 H ILE A 58 18.547 8.986 1.434 1.00 0.00 H new ATOM 0 HA ILE A 58 21.141 9.033 2.586 1.00 0.00 H new ATOM 0 HB ILE A 58 18.402 9.580 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.868 11.013 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.908 11.936 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.646 10.865 5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.093 9.142 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.180 10.334 4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.737 12.591 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.376 11.852 3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.335 10.915 1.859 1.00 0.00 H new ATOM 926 N SER A 59 18.972 6.796 3.696 1.00 0.00 N ATOM 927 CA SER A 59 18.842 5.563 4.463 1.00 0.00 C ATOM 928 C SER A 59 19.824 4.507 3.963 1.00 0.00 C ATOM 929 O SER A 59 20.397 3.756 4.752 1.00 0.00 O ATOM 930 CB SER A 59 17.412 5.029 4.372 1.00 0.00 C ATOM 931 OG SER A 59 17.230 3.910 5.223 1.00 0.00 O ATOM 0 H SER A 59 18.120 7.086 3.217 1.00 0.00 H new ATOM 0 HA SER A 59 19.073 5.786 5.505 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.709 5.816 4.645 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.191 4.747 3.343 1.00 0.00 H new ATOM 0 HG SER A 59 16.307 3.588 5.148 1.00 0.00 H new ATOM 937 N GLN A 60 20.011 4.457 2.649 1.00 0.00 N ATOM 938 CA GLN A 60 20.922 3.493 2.043 1.00 0.00 C ATOM 939 C GLN A 60 22.374 3.856 2.339 1.00 0.00 C ATOM 940 O GLN A 60 23.206 2.982 2.578 1.00 0.00 O ATOM 941 CB GLN A 60 20.698 3.427 0.532 1.00 0.00 C ATOM 942 CG GLN A 60 21.293 2.188 -0.118 1.00 0.00 C ATOM 943 CD GLN A 60 20.702 0.903 0.427 1.00 0.00 C ATOM 944 OE1 GLN A 60 21.340 0.344 1.449 1.00 0.00 O flip ATOM 945 NE2 GLN A 60 19.683 0.417 -0.065 1.00 0.00 N flip ATOM 0 H GLN A 60 19.544 5.073 1.983 1.00 0.00 H new ATOM 0 HA GLN A 60 20.716 2.514 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.627 3.454 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.132 4.314 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.127 2.232 -1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.372 2.183 0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.225 0.880 -0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.297 -0.449 0.312 1.00 0.00 H new ATOM 954 N ALA A 61 22.670 5.152 2.320 1.00 0.00 N ATOM 955 CA ALA A 61 24.021 5.630 2.587 1.00 0.00 C ATOM 956 C ALA A 61 24.449 5.297 4.012 1.00 0.00 C ATOM 957 O ALA A 61 25.558 4.814 4.242 1.00 0.00 O ATOM 958 CB ALA A 61 24.107 7.130 2.345 1.00 0.00 C ATOM 0 H ALA A 61 21.993 5.889 2.123 1.00 0.00 H new ATOM 0 HA ALA A 61 24.702 5.123 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.121 7.474 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.851 7.346 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.410 7.646 3.006 1.00 0.00 H new ATOM 964 N LYS A 62 23.564 5.560 4.968 1.00 0.00 N ATOM 965 CA LYS A 62 23.849 5.288 6.371 1.00 0.00 C ATOM 966 C LYS A 62 23.856 3.787 6.645 1.00 0.00 C ATOM 967 O LYS A 62 24.612 3.302 7.487 1.00 0.00 O ATOM 968 CB LYS A 62 22.815 5.975 7.266 1.00 0.00 C ATOM 969 CG LYS A 62 21.388 5.530 6.998 1.00 0.00 C ATOM 970 CD LYS A 62 20.382 6.435 7.690 1.00 0.00 C ATOM 971 CE LYS A 62 20.553 6.405 9.201 1.00 0.00 C ATOM 972 NZ LYS A 62 20.450 5.022 9.744 1.00 0.00 N ATOM 0 H LYS A 62 22.642 5.962 4.796 1.00 0.00 H new ATOM 0 HA LYS A 62 24.838 5.685 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.059 5.775 8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.883 7.054 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.201 5.531 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.255 4.505 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.502 7.457 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.371 6.122 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.522 6.827 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.794 7.035 9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.334 5.062 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.629 4.543 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.315 4.493 9.514 1.00 0.00 H new ATOM 986 N LEU A 63 23.010 3.056 5.927 1.00 0.00 N ATOM 987 CA LEU A 63 22.920 1.609 6.090 1.00 0.00 C ATOM 988 C LEU A 63 24.192 0.925 5.601 1.00 0.00 C ATOM 989 O LEU A 63 24.779 0.104 6.307 1.00 0.00 O ATOM 990 CB LEU A 63 21.710 1.065 5.330 1.00 0.00 C ATOM 991 CG LEU A 63 21.380 -0.410 5.560 1.00 0.00 C ATOM 992 CD1 LEU A 63 19.889 -0.657 5.390 1.00 0.00 C ATOM 993 CD2 LEU A 63 22.180 -1.290 4.611 1.00 0.00 C ATOM 0 H LEU A 63 22.377 3.442 5.226 1.00 0.00 H new ATOM 0 HA LEU A 63 22.801 1.395 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.838 1.659 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 63 21.878 1.217 4.264 1.00 0.00 H new ATOM 0 HG LEU A 63 21.656 -0.668 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 63 19.674 -1.712 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.336 -0.055 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 63 19.587 -0.381 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 63 21.932 -2.336 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 63 21.936 -1.030 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 63 23.245 -1.135 4.782 1.00 0.00 H new ATOM 1005 N LEU A 64 24.615 1.271 4.390 1.00 0.00 N ATOM 1006 CA LEU A 64 25.820 0.692 3.806 1.00 0.00 C ATOM 1007 C LEU A 64 27.068 1.186 4.531 1.00 0.00 C ATOM 1008 O LEU A 64 28.022 0.433 4.732 1.00 0.00 O ATOM 1009 CB LEU A 64 25.908 1.040 2.319 1.00 0.00 C ATOM 1010 CG LEU A 64 26.345 2.468 1.989 1.00 0.00 C ATOM 1011 CD1 LEU A 64 27.858 2.546 1.858 1.00 0.00 C ATOM 1012 CD2 LEU A 64 25.671 2.949 0.712 1.00 0.00 C ATOM 0 H LEU A 64 24.142 1.949 3.793 1.00 0.00 H new ATOM 0 HA LEU A 64 25.763 -0.391 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.605 0.349 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 64 24.931 0.867 1.867 1.00 0.00 H new ATOM 0 HG LEU A 64 26.038 3.121 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.151 3.569 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.321 2.243 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 64 28.189 1.882 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 64 25.993 3.967 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 64 25.948 2.294 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.589 2.931 0.843 1.00 0.00 H new ATOM 1024 N LEU A 65 27.054 2.456 4.922 1.00 0.00 N ATOM 1025 CA LEU A 65 28.184 3.051 5.627 1.00 0.00 C ATOM 1026 C LEU A 65 28.511 2.266 6.893 1.00 0.00 C ATOM 1027 O LEU A 65 29.660 2.229 7.333 1.00 0.00 O ATOM 1028 CB LEU A 65 27.879 4.508 5.982 1.00 0.00 C ATOM 1029 CG LEU A 65 28.273 5.550 4.935 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.459 6.822 5.114 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.762 5.852 5.017 1.00 0.00 C ATOM 0 H LEU A 65 26.273 3.093 4.763 1.00 0.00 H new ATOM 0 HA LEU A 65 29.051 3.017 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.809 4.599 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.389 4.748 6.915 1.00 0.00 H new ATOM 0 HG LEU A 65 28.059 5.142 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.754 7.552 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.399 6.594 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.640 7.233 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.024 6.596 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.001 6.238 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.329 4.939 4.838 1.00 0.00 H new ATOM 1043 N SER A 66 27.494 1.636 7.473 1.00 0.00 N ATOM 1044 CA SER A 66 27.673 0.852 8.689 1.00 0.00 C ATOM 1045 C SER A 66 28.371 -0.470 8.385 1.00 0.00 C ATOM 1046 O SER A 66 29.153 -0.973 9.193 1.00 0.00 O ATOM 1047 CB SER A 66 26.321 0.588 9.354 1.00 0.00 C ATOM 1048 OG SER A 66 25.721 -0.588 8.839 1.00 0.00 O ATOM 0 H SER A 66 26.537 1.654 7.120 1.00 0.00 H new ATOM 0 HA SER A 66 28.300 1.425 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 66 26.455 0.490 10.431 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.660 1.439 9.191 1.00 0.00 H new ATOM 0 HG SER A 66 25.366 -0.409 7.943 1.00 0.00 H new ATOM 1054 N THR A 67 28.082 -1.029 7.214 1.00 0.00 N ATOM 1055 CA THR A 67 28.680 -2.292 6.802 1.00 0.00 C ATOM 1056 C THR A 67 29.860 -2.063 5.865 1.00 0.00 C ATOM 1057 O THR A 67 30.399 -3.007 5.285 1.00 0.00 O ATOM 1058 CB THR A 67 27.651 -3.199 6.101 1.00 0.00 C ATOM 1059 OG1 THR A 67 28.266 -4.434 5.718 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.072 -2.512 4.873 1.00 0.00 C ATOM 0 H THR A 67 27.437 -0.626 6.534 1.00 0.00 H new ATOM 0 HA THR A 67 29.030 -2.785 7.709 1.00 0.00 H new ATOM 0 HB THR A 67 26.840 -3.400 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.220 -4.286 5.548 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.348 -3.172 4.395 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.578 -1.587 5.172 1.00 0.00 H new ATOM 0 HG23 THR A 67 27.874 -2.284 4.171 1.00 0.00 H new ATOM 1068 N THR A 68 30.258 -0.803 5.719 1.00 0.00 N ATOM 1069 CA THR A 68 31.375 -0.450 4.851 1.00 0.00 C ATOM 1070 C THR A 68 32.332 0.509 5.550 1.00 0.00 C ATOM 1071 O THR A 68 31.961 1.180 6.513 1.00 0.00 O ATOM 1072 CB THR A 68 30.885 0.195 3.541 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.269 1.458 3.817 1.00 0.00 O ATOM 1074 CG2 THR A 68 29.894 -0.713 2.828 1.00 0.00 C ATOM 0 H THR A 68 29.823 -0.010 6.191 1.00 0.00 H new ATOM 0 HA THR A 68 31.900 -1.376 4.617 1.00 0.00 H new ATOM 0 HB THR A 68 31.747 0.346 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.509 1.326 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 68 29.562 -0.236 1.906 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.375 -1.663 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.034 -0.892 3.474 1.00 0.00 H new ATOM 1082 N ARG A 69 33.565 0.571 5.057 1.00 0.00 N ATOM 1083 CA ARG A 69 34.575 1.448 5.635 1.00 0.00 C ATOM 1084 C ARG A 69 35.112 2.422 4.590 1.00 0.00 C ATOM 1085 O ARG A 69 36.180 3.008 4.763 1.00 0.00 O ATOM 1086 CB ARG A 69 35.725 0.623 6.216 1.00 0.00 C ATOM 1087 CG ARG A 69 36.462 -0.210 5.180 1.00 0.00 C ATOM 1088 CD ARG A 69 37.704 0.504 4.672 1.00 0.00 C ATOM 1089 NE ARG A 69 38.898 -0.331 4.778 1.00 0.00 N ATOM 1090 CZ ARG A 69 40.136 0.144 4.706 1.00 0.00 C ATOM 1091 NH1 ARG A 69 40.343 1.442 4.529 1.00 0.00 N ATOM 1092 NH2 ARG A 69 41.171 -0.680 4.812 1.00 0.00 N ATOM 0 H ARG A 69 33.888 0.024 4.259 1.00 0.00 H new ATOM 0 HA ARG A 69 34.107 2.021 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.434 1.294 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.332 -0.038 6.989 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.745 -1.168 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 69 35.797 -0.424 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 69 37.556 0.794 3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 69 37.852 1.422 5.240 1.00 0.00 H new ATOM 0 HE ARG A 69 38.774 -1.334 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 69 39.550 2.078 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 69 41.295 1.804 4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 69 41.016 -1.679 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 69 42.122 -0.314 4.757 1.00 0.00 H new ATOM 1106 N MET A 70 34.363 2.589 3.505 1.00 0.00 N ATOM 1107 CA MET A 70 34.763 3.492 2.432 1.00 0.00 C ATOM 1108 C MET A 70 34.581 4.948 2.851 1.00 0.00 C ATOM 1109 O MET A 70 33.773 5.272 3.722 1.00 0.00 O ATOM 1110 CB MET A 70 33.950 3.208 1.168 1.00 0.00 C ATOM 1111 CG MET A 70 34.283 1.875 0.518 1.00 0.00 C ATOM 1112 SD MET A 70 33.270 1.538 -0.935 1.00 0.00 S ATOM 1113 CE MET A 70 31.627 1.606 -0.225 1.00 0.00 C ATOM 0 H MET A 70 33.476 2.111 3.346 1.00 0.00 H new ATOM 0 HA MET A 70 35.819 3.322 2.222 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.889 3.227 1.417 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.123 4.007 0.448 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.335 1.867 0.232 1.00 0.00 H new ATOM 0 HG3 MET A 70 34.144 1.076 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.986 0.876 -0.720 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.681 1.379 0.840 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.212 2.605 -0.362 1.00 0.00 H new ATOM 1123 N PRO A 71 35.349 5.847 2.218 1.00 0.00 N ATOM 1124 CA PRO A 71 35.291 7.283 2.509 1.00 0.00 C ATOM 1125 C PRO A 71 33.987 7.917 2.036 1.00 0.00 C ATOM 1126 O PRO A 71 33.272 7.347 1.212 1.00 0.00 O ATOM 1127 CB PRO A 71 36.477 7.852 1.728 1.00 0.00 C ATOM 1128 CG PRO A 71 36.701 6.882 0.619 1.00 0.00 C ATOM 1129 CD PRO A 71 36.334 5.532 1.170 1.00 0.00 C ATOM 0 HA PRO A 71 35.333 7.484 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.257 8.848 1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.361 7.942 2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.087 7.130 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.740 6.900 0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.910 4.886 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.203 5.015 1.577 1.00 0.00 H new ATOM 1137 N ILE A 72 33.685 9.100 2.562 1.00 0.00 N ATOM 1138 CA ILE A 72 32.469 9.811 2.191 1.00 0.00 C ATOM 1139 C ILE A 72 32.409 10.052 0.687 1.00 0.00 C ATOM 1140 O ILE A 72 31.330 10.096 0.097 1.00 0.00 O ATOM 1141 CB ILE A 72 32.364 11.164 2.920 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.515 10.967 4.430 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.038 11.838 2.599 1.00 0.00 C ATOM 1144 CD1 ILE A 72 31.485 10.033 5.024 1.00 0.00 C ATOM 0 H ILE A 72 34.266 9.585 3.246 1.00 0.00 H new ATOM 0 HA ILE A 72 31.632 9.180 2.489 1.00 0.00 H new ATOM 0 HB ILE A 72 33.171 11.810 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 72 33.511 10.577 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 72 32.442 11.936 4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.979 12.793 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.967 12.007 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.217 11.197 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 72 31.653 9.941 6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 72 30.486 10.432 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.572 9.052 4.558 1.00 0.00 H new ATOM 1156 N ALA A 73 33.577 10.205 0.071 1.00 0.00 N ATOM 1157 CA ALA A 73 33.658 10.437 -1.366 1.00 0.00 C ATOM 1158 C ALA A 73 33.148 9.230 -2.146 1.00 0.00 C ATOM 1159 O ALA A 73 32.357 9.369 -3.080 1.00 0.00 O ATOM 1160 CB ALA A 73 35.089 10.761 -1.768 1.00 0.00 C ATOM 0 H ALA A 73 34.480 10.172 0.545 1.00 0.00 H new ATOM 0 HA ALA A 73 33.022 11.289 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.135 10.932 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.420 11.657 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.739 9.926 -1.505 1.00 0.00 H new ATOM 1166 N THR A 74 33.606 8.043 -1.759 1.00 0.00 N ATOM 1167 CA THR A 74 33.198 6.812 -2.423 1.00 0.00 C ATOM 1168 C THR A 74 31.741 6.480 -2.119 1.00 0.00 C ATOM 1169 O THR A 74 30.977 6.116 -3.014 1.00 0.00 O ATOM 1170 CB THR A 74 34.082 5.625 -1.999 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.461 5.935 -2.227 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.706 4.368 -2.768 1.00 0.00 C ATOM 0 H THR A 74 34.260 7.909 -0.988 1.00 0.00 H new ATOM 0 HA THR A 74 33.314 6.978 -3.494 1.00 0.00 H new ATOM 0 HB THR A 74 33.922 5.443 -0.936 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.017 5.176 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.344 3.543 -2.451 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.664 4.118 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.840 4.541 -3.836 1.00 0.00 H new ATOM 1180 N VAL A 75 31.362 6.609 -0.852 1.00 0.00 N ATOM 1181 CA VAL A 75 29.995 6.324 -0.430 1.00 0.00 C ATOM 1182 C VAL A 75 28.992 7.156 -1.221 1.00 0.00 C ATOM 1183 O VAL A 75 27.933 6.665 -1.610 1.00 0.00 O ATOM 1184 CB VAL A 75 29.803 6.599 1.073 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.367 6.318 1.488 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.776 5.769 1.895 1.00 0.00 C ATOM 0 H VAL A 75 31.982 6.909 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 75 29.817 5.266 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 75 30.011 7.652 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.250 6.518 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.692 6.961 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.128 5.274 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.626 5.976 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.602 4.710 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.798 6.025 1.616 1.00 0.00 H new ATOM 1196 N GLY A 76 29.333 8.420 -1.455 1.00 0.00 N ATOM 1197 CA GLY A 76 28.451 9.300 -2.199 1.00 0.00 C ATOM 1198 C GLY A 76 28.110 8.755 -3.571 1.00 0.00 C ATOM 1199 O GLY A 76 26.967 8.851 -4.019 1.00 0.00 O ATOM 0 H GLY A 76 30.204 8.850 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.532 9.451 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.923 10.276 -2.307 1.00 0.00 H new ATOM 1203 N ARG A 77 29.104 8.183 -4.242 1.00 0.00 N ATOM 1204 CA ARG A 77 28.905 7.623 -5.574 1.00 0.00 C ATOM 1205 C ARG A 77 27.816 6.554 -5.557 1.00 0.00 C ATOM 1206 O ARG A 77 27.066 6.402 -6.519 1.00 0.00 O ATOM 1207 CB ARG A 77 30.211 7.027 -6.101 1.00 0.00 C ATOM 1208 CG ARG A 77 31.128 8.050 -6.751 1.00 0.00 C ATOM 1209 CD ARG A 77 32.590 7.651 -6.620 1.00 0.00 C ATOM 1210 NE ARG A 77 32.824 6.279 -7.061 1.00 0.00 N ATOM 1211 CZ ARG A 77 32.895 5.919 -8.338 1.00 0.00 C ATOM 1212 NH1 ARG A 77 32.751 6.826 -9.294 1.00 0.00 N ATOM 1213 NH2 ARG A 77 33.111 4.650 -8.660 1.00 0.00 N ATOM 0 H ARG A 77 30.056 8.095 -3.885 1.00 0.00 H new ATOM 0 HA ARG A 77 28.589 8.429 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.741 6.548 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 77 29.978 6.247 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.871 8.153 -7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 77 30.973 9.025 -6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.206 8.331 -7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 77 32.903 7.756 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 77 32.939 5.557 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 77 32.585 7.802 -9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 77 32.806 6.547 -10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 77 33.223 3.950 -7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 77 33.165 4.375 -9.641 1.00 0.00 H new ATOM 1227 N ASN A 78 27.738 5.814 -4.455 1.00 0.00 N ATOM 1228 CA ASN A 78 26.742 4.758 -4.313 1.00 0.00 C ATOM 1229 C ASN A 78 25.329 5.331 -4.370 1.00 0.00 C ATOM 1230 O ASN A 78 24.400 4.675 -4.840 1.00 0.00 O ATOM 1231 CB ASN A 78 26.948 4.009 -2.995 1.00 0.00 C ATOM 1232 CG ASN A 78 28.260 3.249 -2.960 1.00 0.00 C ATOM 1233 OD1 ASN A 78 29.339 3.948 -2.630 1.00 0.00 O flip ATOM 1234 ND2 ASN A 78 28.302 2.048 -3.227 1.00 0.00 N flip ATOM 0 H ASN A 78 28.352 5.926 -3.648 1.00 0.00 H new ATOM 0 HA ASN A 78 26.866 4.062 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 78 26.921 4.719 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.124 3.312 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 78 27.447 1.551 -3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.192 1.550 -3.200 1.00 0.00 H new ATOM 1241 N VAL A 79 25.175 6.561 -3.888 1.00 0.00 N ATOM 1242 CA VAL A 79 23.877 7.224 -3.885 1.00 0.00 C ATOM 1243 C VAL A 79 23.753 8.194 -5.055 1.00 0.00 C ATOM 1244 O VAL A 79 22.896 9.077 -5.055 1.00 0.00 O ATOM 1245 CB VAL A 79 23.640 7.990 -2.570 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.685 7.039 -1.383 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.665 9.103 -2.411 1.00 0.00 C ATOM 0 H VAL A 79 25.934 7.118 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 79 23.123 6.443 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 79 22.649 8.442 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.516 7.598 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.910 6.280 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.662 6.557 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.483 9.634 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.667 8.675 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.580 9.798 -3.246 1.00 0.00 H new ATOM 1257 N GLY A 80 24.614 8.022 -6.053 1.00 0.00 N ATOM 1258 CA GLY A 80 24.584 8.890 -7.216 1.00 0.00 C ATOM 1259 C GLY A 80 25.127 10.274 -6.921 1.00 0.00 C ATOM 1260 O GLY A 80 25.083 11.161 -7.774 1.00 0.00 O ATOM 0 H GLY A 80 25.332 7.297 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.167 8.438 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.559 8.975 -7.576 1.00 0.00 H new ATOM 1264 N PHE A 81 25.640 10.461 -5.710 1.00 0.00 N ATOM 1265 CA PHE A 81 26.192 11.748 -5.303 1.00 0.00 C ATOM 1266 C PHE A 81 27.633 11.898 -5.782 1.00 0.00 C ATOM 1267 O PHE A 81 28.514 11.140 -5.377 1.00 0.00 O ATOM 1268 CB PHE A 81 26.129 11.896 -3.782 1.00 0.00 C ATOM 1269 CG PHE A 81 24.821 12.443 -3.286 1.00 0.00 C ATOM 1270 CD1 PHE A 81 23.621 11.961 -3.784 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.791 13.437 -2.321 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.416 12.463 -3.329 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.589 13.943 -1.863 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.400 13.454 -2.367 1.00 0.00 C ATOM 0 H PHE A 81 25.685 9.737 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 81 25.592 12.534 -5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.304 10.923 -3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 81 26.935 12.553 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 81 23.627 11.185 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.718 13.821 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 81 21.487 12.080 -3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 81 23.580 14.719 -1.112 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.459 13.846 -2.010 1.00 0.00 H new ATOM 1284 N ASP A 82 27.864 12.880 -6.645 1.00 0.00 N ATOM 1285 CA ASP A 82 29.198 13.131 -7.179 1.00 0.00 C ATOM 1286 C ASP A 82 30.002 14.021 -6.237 1.00 0.00 C ATOM 1287 O ASP A 82 31.225 13.908 -6.152 1.00 0.00 O ATOM 1288 CB ASP A 82 29.104 13.782 -8.560 1.00 0.00 C ATOM 1289 CG ASP A 82 28.917 12.765 -9.668 1.00 0.00 C ATOM 1290 OD1 ASP A 82 27.776 12.294 -9.854 1.00 0.00 O ATOM 1291 OD2 ASP A 82 29.912 12.439 -10.349 1.00 0.00 O ATOM 0 H ASP A 82 27.145 13.516 -6.990 1.00 0.00 H new ATOM 0 HA ASP A 82 29.711 12.174 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.271 14.485 -8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.010 14.359 -8.749 1.00 0.00 H new ATOM 1296 N ASP A 83 29.307 14.907 -5.532 1.00 0.00 N ATOM 1297 CA ASP A 83 29.956 15.817 -4.595 1.00 0.00 C ATOM 1298 C ASP A 83 29.944 15.243 -3.182 1.00 0.00 C ATOM 1299 O ASP A 83 28.881 14.998 -2.612 1.00 0.00 O ATOM 1300 CB ASP A 83 29.261 17.180 -4.611 1.00 0.00 C ATOM 1301 CG ASP A 83 29.696 18.038 -5.783 1.00 0.00 C ATOM 1302 OD1 ASP A 83 29.091 17.911 -6.869 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.641 18.836 -5.615 1.00 0.00 O ATOM 0 H ASP A 83 28.294 15.014 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 83 30.993 15.942 -4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.182 17.034 -4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 83 29.476 17.705 -3.680 1.00 0.00 H new ATOM 1308 N GLN A 84 31.131 15.030 -2.625 1.00 0.00 N ATOM 1309 CA GLN A 84 31.256 14.483 -1.279 1.00 0.00 C ATOM 1310 C GLN A 84 30.627 15.417 -0.251 1.00 0.00 C ATOM 1311 O GLN A 84 29.962 14.970 0.684 1.00 0.00 O ATOM 1312 CB GLN A 84 32.728 14.246 -0.937 1.00 0.00 C ATOM 1313 CG GLN A 84 33.589 15.493 -1.055 1.00 0.00 C ATOM 1314 CD GLN A 84 35.003 15.186 -1.507 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.360 15.410 -2.664 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.818 14.670 -0.594 1.00 0.00 N ATOM 0 H GLN A 84 32.020 15.228 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 84 30.726 13.531 -1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.798 13.861 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.126 13.476 -1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 84 33.128 16.183 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.622 16.000 -0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.480 14.501 0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.781 14.443 -0.840 1.00 0.00 H new ATOM 1325 N LEU A 85 30.842 16.716 -0.430 1.00 0.00 N ATOM 1326 CA LEU A 85 30.296 17.714 0.483 1.00 0.00 C ATOM 1327 C LEU A 85 28.778 17.793 0.359 1.00 0.00 C ATOM 1328 O LEU A 85 28.077 18.053 1.338 1.00 0.00 O ATOM 1329 CB LEU A 85 30.914 19.085 0.201 1.00 0.00 C ATOM 1330 CG LEU A 85 32.161 19.439 1.012 1.00 0.00 C ATOM 1331 CD1 LEU A 85 31.848 19.433 2.501 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.293 18.472 0.700 1.00 0.00 C ATOM 0 H LEU A 85 31.390 17.102 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 85 30.544 17.413 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.167 19.136 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.157 19.847 0.385 1.00 0.00 H new ATOM 0 HG LEU A 85 32.480 20.443 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.747 19.687 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.069 20.166 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 85 31.504 18.442 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.172 18.740 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.984 17.457 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.535 18.525 -0.361 1.00 0.00 H new ATOM 1344 N TYR A 86 28.276 17.565 -0.849 1.00 0.00 N ATOM 1345 CA TYR A 86 26.840 17.610 -1.102 1.00 0.00 C ATOM 1346 C TYR A 86 26.104 16.581 -0.249 1.00 0.00 C ATOM 1347 O TYR A 86 25.039 16.861 0.301 1.00 0.00 O ATOM 1348 CB TYR A 86 26.554 17.360 -2.583 1.00 0.00 C ATOM 1349 CG TYR A 86 25.081 17.238 -2.903 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.146 18.064 -2.291 1.00 0.00 C ATOM 1351 CD2 TYR A 86 24.624 16.298 -3.818 1.00 0.00 C ATOM 1352 CE1 TYR A 86 22.799 17.955 -2.579 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.280 16.183 -4.114 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.371 17.014 -3.492 1.00 0.00 C ATOM 1355 OH TYR A 86 21.031 16.904 -3.783 1.00 0.00 O ATOM 0 H TYR A 86 28.842 17.347 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 86 26.480 18.603 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 86 26.978 18.175 -3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.062 16.447 -2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.478 18.804 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.332 15.645 -4.307 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.085 18.603 -2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 86 22.942 15.447 -4.828 1.00 0.00 H new ATOM 0 HH TYR A 86 20.897 16.195 -4.446 1.00 0.00 H new ATOM 1365 N PHE A 87 26.681 15.389 -0.143 1.00 0.00 N ATOM 1366 CA PHE A 87 26.081 14.317 0.642 1.00 0.00 C ATOM 1367 C PHE A 87 26.082 14.664 2.128 1.00 0.00 C ATOM 1368 O PHE A 87 25.078 14.488 2.818 1.00 0.00 O ATOM 1369 CB PHE A 87 26.836 13.005 0.414 1.00 0.00 C ATOM 1370 CG PHE A 87 26.411 11.900 1.338 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.159 11.321 1.217 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.265 11.442 2.329 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.765 10.304 2.066 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.877 10.425 3.180 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.625 9.856 3.050 1.00 0.00 C ATOM 0 H PHE A 87 27.563 15.141 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 87 25.048 14.196 0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.686 12.684 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.904 13.183 0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.482 11.668 0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.244 11.885 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.786 9.860 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.552 10.075 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.319 9.063 3.716 1.00 0.00 H new ATOM 1385 N SER A 88 27.216 15.159 2.613 1.00 0.00 N ATOM 1386 CA SER A 88 27.350 15.528 4.018 1.00 0.00 C ATOM 1387 C SER A 88 26.434 16.699 4.361 1.00 0.00 C ATOM 1388 O SER A 88 25.853 16.750 5.446 1.00 0.00 O ATOM 1389 CB SER A 88 28.801 15.890 4.336 1.00 0.00 C ATOM 1390 OG SER A 88 29.249 16.962 3.524 1.00 0.00 O ATOM 0 H SER A 88 28.055 15.314 2.054 1.00 0.00 H new ATOM 0 HA SER A 88 27.057 14.670 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.889 16.165 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.439 15.020 4.180 1.00 0.00 H new ATOM 0 HG SER A 88 28.635 17.079 2.769 1.00 0.00 H new ATOM 1396 N ARG A 89 26.311 17.639 3.430 1.00 0.00 N ATOM 1397 CA ARG A 89 25.468 18.810 3.633 1.00 0.00 C ATOM 1398 C ARG A 89 24.006 18.406 3.798 1.00 0.00 C ATOM 1399 O ARG A 89 23.339 18.823 4.746 1.00 0.00 O ATOM 1400 CB ARG A 89 25.610 19.778 2.457 1.00 0.00 C ATOM 1401 CG ARG A 89 26.850 20.654 2.536 1.00 0.00 C ATOM 1402 CD ARG A 89 26.897 21.657 1.394 1.00 0.00 C ATOM 1403 NE ARG A 89 26.215 22.904 1.732 1.00 0.00 N ATOM 1404 CZ ARG A 89 26.117 23.937 0.902 1.00 0.00 C ATOM 1405 NH1 ARG A 89 26.654 23.872 -0.308 1.00 0.00 N ATOM 1406 NH2 ARG A 89 25.481 25.037 1.283 1.00 0.00 N ATOM 0 H ARG A 89 26.785 17.612 2.527 1.00 0.00 H new ATOM 0 HA ARG A 89 25.795 19.307 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.637 19.207 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.727 20.416 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.862 21.184 3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.742 20.028 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.936 21.869 1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.436 21.220 0.508 1.00 0.00 H new ATOM 0 HE ARG A 89 25.791 22.986 2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 89 27.144 23.028 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 89 26.577 24.666 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 89 25.067 25.090 2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 89 25.406 25.830 0.645 1.00 0.00 H new ATOM 1420 N VAL A 90 23.513 17.592 2.870 1.00 0.00 N ATOM 1421 CA VAL A 90 22.131 17.131 2.913 1.00 0.00 C ATOM 1422 C VAL A 90 21.912 16.157 4.065 1.00 0.00 C ATOM 1423 O VAL A 90 20.942 16.272 4.815 1.00 0.00 O ATOM 1424 CB VAL A 90 21.726 16.447 1.593 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.305 15.913 1.682 1.00 0.00 C ATOM 1426 CG2 VAL A 90 21.870 17.413 0.427 1.00 0.00 C ATOM 0 H VAL A 90 24.051 17.238 2.079 1.00 0.00 H new ATOM 0 HA VAL A 90 21.508 18.013 3.063 1.00 0.00 H new ATOM 0 HB VAL A 90 22.395 15.604 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.037 15.433 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.240 15.186 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.618 16.737 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.580 16.913 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.227 18.278 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 90 22.907 17.741 0.352 1.00 0.00 H new ATOM 1436 N PHE A 91 22.821 15.196 4.202 1.00 0.00 N ATOM 1437 CA PHE A 91 22.727 14.201 5.263 1.00 0.00 C ATOM 1438 C PHE A 91 22.788 14.863 6.636 1.00 0.00 C ATOM 1439 O PHE A 91 22.139 14.417 7.583 1.00 0.00 O ATOM 1440 CB PHE A 91 23.854 13.174 5.129 1.00 0.00 C ATOM 1441 CG PHE A 91 23.818 12.104 6.182 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.446 12.294 7.403 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.157 10.909 5.952 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.415 11.310 8.373 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.122 9.921 6.919 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.752 10.123 8.131 1.00 0.00 C ATOM 0 H PHE A 91 23.630 15.086 3.591 1.00 0.00 H new ATOM 0 HA PHE A 91 21.768 13.693 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.794 12.707 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.813 13.690 5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.965 13.221 7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.663 10.747 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.909 11.469 9.320 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.603 8.994 6.727 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.726 9.354 8.889 1.00 0.00 H new ATOM 1456 N LYS A 92 23.574 15.930 6.738 1.00 0.00 N ATOM 1457 CA LYS A 92 23.721 16.655 7.994 1.00 0.00 C ATOM 1458 C LYS A 92 22.365 17.127 8.512 1.00 0.00 C ATOM 1459 O LYS A 92 22.033 16.930 9.681 1.00 0.00 O ATOM 1460 CB LYS A 92 24.653 17.855 7.808 1.00 0.00 C ATOM 1461 CG LYS A 92 24.424 18.966 8.818 1.00 0.00 C ATOM 1462 CD LYS A 92 25.717 19.688 9.156 1.00 0.00 C ATOM 1463 CE LYS A 92 26.397 19.076 10.370 1.00 0.00 C ATOM 1464 NZ LYS A 92 27.180 20.085 11.136 1.00 0.00 N ATOM 0 H LYS A 92 24.119 16.312 5.965 1.00 0.00 H new ATOM 0 HA LYS A 92 24.155 15.976 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.686 17.516 7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.519 18.256 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.702 19.679 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 92 23.991 18.549 9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 92 26.392 19.647 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.508 20.741 9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.645 18.630 11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 92 27.058 18.271 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 27.628 19.628 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 27.914 20.493 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.545 20.840 11.465 1.00 0.00 H new ATOM 1478 N LYS A 93 21.586 17.749 7.634 1.00 0.00 N ATOM 1479 CA LYS A 93 20.265 18.246 8.001 1.00 0.00 C ATOM 1480 C LYS A 93 19.261 17.102 8.099 1.00 0.00 C ATOM 1481 O LYS A 93 18.265 17.198 8.817 1.00 0.00 O ATOM 1482 CB LYS A 93 19.783 19.276 6.977 1.00 0.00 C ATOM 1483 CG LYS A 93 20.397 20.652 7.162 1.00 0.00 C ATOM 1484 CD LYS A 93 21.730 20.770 6.441 1.00 0.00 C ATOM 1485 CE LYS A 93 21.539 21.111 4.971 1.00 0.00 C ATOM 1486 NZ LYS A 93 20.973 22.476 4.787 1.00 0.00 N ATOM 0 H LYS A 93 21.846 17.921 6.663 1.00 0.00 H new ATOM 0 HA LYS A 93 20.342 18.723 8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.015 18.916 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.698 19.360 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.711 21.411 6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.539 20.848 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.336 21.540 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.278 19.832 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.497 21.042 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.876 20.378 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.196 22.818 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.941 22.443 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.386 23.121 5.491 1.00 0.00 H new ATOM 1500 N CYS A 94 19.530 16.022 7.376 1.00 0.00 N ATOM 1501 CA CYS A 94 18.650 14.858 7.383 1.00 0.00 C ATOM 1502 C CYS A 94 18.441 14.343 8.803 1.00 0.00 C ATOM 1503 O CYS A 94 17.309 14.119 9.234 1.00 0.00 O ATOM 1504 CB CYS A 94 19.230 13.749 6.504 1.00 0.00 C ATOM 1505 SG CYS A 94 18.016 12.520 5.969 1.00 0.00 S ATOM 0 H CYS A 94 20.350 15.927 6.777 1.00 0.00 H new ATOM 0 HA CYS A 94 17.683 15.161 6.981 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.687 14.200 5.623 1.00 0.00 H new ATOM 0 HB3 CYS A 94 20.025 13.244 7.052 1.00 0.00 H new ATOM 0 HG CYS A 94 18.140 11.445 6.690 1.00 0.00 H new ATOM 1511 N THR A 95 19.540 14.154 9.526 1.00 0.00 N ATOM 1512 CA THR A 95 19.478 13.662 10.897 1.00 0.00 C ATOM 1513 C THR A 95 19.831 14.762 11.892 1.00 0.00 C ATOM 1514 O THR A 95 19.651 14.602 13.098 1.00 0.00 O ATOM 1515 CB THR A 95 20.430 12.470 11.109 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.772 12.849 10.784 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.011 11.284 10.252 1.00 0.00 C ATOM 0 H THR A 95 20.484 14.334 9.185 1.00 0.00 H new ATOM 0 HA THR A 95 18.453 13.335 11.070 1.00 0.00 H new ATOM 0 HB THR A 95 20.380 12.177 12.158 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.370 12.086 10.923 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.698 10.454 10.418 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.000 10.978 10.523 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.034 11.569 9.200 1.00 0.00 H new ATOM 1525 N GLY A 96 20.334 15.880 11.378 1.00 0.00 N ATOM 1526 CA GLY A 96 20.703 16.991 12.236 1.00 0.00 C ATOM 1527 C GLY A 96 22.178 16.987 12.587 1.00 0.00 C ATOM 1528 O GLY A 96 22.676 17.922 13.214 1.00 0.00 O ATOM 0 H GLY A 96 20.493 16.036 10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.453 17.928 11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.114 16.950 13.152 1.00 0.00 H new ATOM 1532 N ALA A 97 22.878 15.933 12.182 1.00 0.00 N ATOM 1533 CA ALA A 97 24.305 15.812 12.457 1.00 0.00 C ATOM 1534 C ALA A 97 25.056 15.289 11.237 1.00 0.00 C ATOM 1535 O ALA A 97 24.512 14.522 10.443 1.00 0.00 O ATOM 1536 CB ALA A 97 24.536 14.900 13.653 1.00 0.00 C ATOM 0 H ALA A 97 22.481 15.150 11.662 1.00 0.00 H new ATOM 0 HA ALA A 97 24.691 16.804 12.691 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.605 14.818 13.847 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.039 15.316 14.529 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.129 13.911 13.440 1.00 0.00 H new ATOM 1542 N SER A 98 26.309 15.709 11.095 1.00 0.00 N ATOM 1543 CA SER A 98 27.134 15.287 9.969 1.00 0.00 C ATOM 1544 C SER A 98 27.408 13.787 10.029 1.00 0.00 C ATOM 1545 O SER A 98 27.250 13.142 11.066 1.00 0.00 O ATOM 1546 CB SER A 98 28.456 16.058 9.960 1.00 0.00 C ATOM 1547 OG SER A 98 29.528 15.237 10.391 1.00 0.00 O ATOM 0 H SER A 98 26.775 16.341 11.746 1.00 0.00 H new ATOM 0 HA SER A 98 26.589 15.504 9.050 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.658 16.428 8.955 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.377 16.929 10.610 1.00 0.00 H new ATOM 0 HG SER A 98 30.362 15.752 10.375 1.00 0.00 H new ATOM 1553 N PRO A 99 27.829 13.217 8.890 1.00 0.00 N ATOM 1554 CA PRO A 99 28.134 11.787 8.786 1.00 0.00 C ATOM 1555 C PRO A 99 29.393 11.405 9.557 1.00 0.00 C ATOM 1556 O PRO A 99 29.494 10.302 10.093 1.00 0.00 O ATOM 1557 CB PRO A 99 28.343 11.577 7.284 1.00 0.00 C ATOM 1558 CG PRO A 99 28.759 12.912 6.770 1.00 0.00 C ATOM 1559 CD PRO A 99 28.040 13.925 7.617 1.00 0.00 C ATOM 0 HA PRO A 99 27.342 11.170 9.211 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.107 10.823 7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.428 11.234 6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.839 13.039 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.495 13.025 5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.634 14.829 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.096 14.229 7.165 1.00 0.00 H new ATOM 1567 N SER A 100 30.351 12.325 9.610 1.00 0.00 N ATOM 1568 CA SER A 100 31.605 12.084 10.313 1.00 0.00 C ATOM 1569 C SER A 100 31.373 11.978 11.817 1.00 0.00 C ATOM 1570 O SER A 100 32.053 11.220 12.508 1.00 0.00 O ATOM 1571 CB SER A 100 32.605 13.204 10.017 1.00 0.00 C ATOM 1572 OG SER A 100 33.686 13.178 10.933 1.00 0.00 O ATOM 0 H SER A 100 30.282 13.245 9.174 1.00 0.00 H new ATOM 0 HA SER A 100 32.015 11.138 9.959 1.00 0.00 H new ATOM 0 HB2 SER A 100 32.983 13.099 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.101 14.169 10.071 1.00 0.00 H new ATOM 0 HG SER A 100 34.311 13.902 10.722 1.00 0.00 H new ATOM 1578 N GLU A 101 30.408 12.744 12.316 1.00 0.00 N ATOM 1579 CA GLU A 101 30.087 12.737 13.738 1.00 0.00 C ATOM 1580 C GLU A 101 29.336 11.465 14.120 1.00 0.00 C ATOM 1581 O GLU A 101 29.668 10.807 15.106 1.00 0.00 O ATOM 1582 CB GLU A 101 29.249 13.965 14.100 1.00 0.00 C ATOM 1583 CG GLU A 101 29.046 14.144 15.595 1.00 0.00 C ATOM 1584 CD GLU A 101 29.359 15.552 16.062 1.00 0.00 C ATOM 1585 OE1 GLU A 101 28.438 16.395 16.068 1.00 0.00 O ATOM 1586 OE2 GLU A 101 30.527 15.811 16.422 1.00 0.00 O ATOM 0 H GLU A 101 29.836 13.377 11.757 1.00 0.00 H new ATOM 0 HA GLU A 101 31.023 12.767 14.296 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.732 14.856 13.698 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.275 13.885 13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.014 13.902 15.849 1.00 0.00 H new ATOM 0 HG3 GLU A 101 29.680 13.438 16.131 1.00 0.00 H new ATOM 1593 N PHE A 102 28.321 11.124 13.332 1.00 0.00 N ATOM 1594 CA PHE A 102 27.521 9.932 13.587 1.00 0.00 C ATOM 1595 C PHE A 102 28.386 8.676 13.536 1.00 0.00 C ATOM 1596 O PHE A 102 28.307 7.819 14.416 1.00 0.00 O ATOM 1597 CB PHE A 102 26.386 9.826 12.567 1.00 0.00 C ATOM 1598 CG PHE A 102 25.463 8.667 12.816 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.988 8.405 14.090 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.071 7.841 11.775 1.00 0.00 C ATOM 1601 CE1 PHE A 102 24.139 7.339 14.322 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.222 6.774 12.001 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.754 6.523 13.276 1.00 0.00 C ATOM 0 H PHE A 102 28.033 11.657 12.511 1.00 0.00 H new ATOM 0 HA PHE A 102 27.094 10.018 14.586 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.808 10.750 12.581 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.813 9.732 11.569 1.00 0.00 H new ATOM 0 HD1 PHE A 102 25.284 9.041 14.912 1.00 0.00 H new ATOM 0 HD2 PHE A 102 25.433 8.033 10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.777 7.144 15.321 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.925 6.137 11.181 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.089 5.691 13.455 1.00 0.00 H new ATOM 1613 N ARG A 103 29.209 8.574 12.498 1.00 0.00 N ATOM 1614 CA ARG A 103 30.087 7.422 12.329 1.00 0.00 C ATOM 1615 C ARG A 103 31.090 7.331 13.476 1.00 0.00 C ATOM 1616 O ARG A 103 31.420 6.239 13.940 1.00 0.00 O ATOM 1617 CB ARG A 103 30.829 7.510 10.994 1.00 0.00 C ATOM 1618 CG ARG A 103 31.550 6.228 10.613 1.00 0.00 C ATOM 1619 CD ARG A 103 32.739 6.506 9.705 1.00 0.00 C ATOM 1620 NE ARG A 103 33.414 5.277 9.296 1.00 0.00 N ATOM 1621 CZ ARG A 103 34.424 5.246 8.434 1.00 0.00 C ATOM 1622 NH1 ARG A 103 34.874 6.370 7.894 1.00 0.00 N ATOM 1623 NH2 ARG A 103 34.987 4.089 8.111 1.00 0.00 N ATOM 0 H ARG A 103 29.286 9.275 11.761 1.00 0.00 H new ATOM 0 HA ARG A 103 29.471 6.523 12.335 1.00 0.00 H new ATOM 0 HB2 ARG A 103 30.117 7.764 10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.553 8.323 11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.891 5.719 11.515 1.00 0.00 H new ATOM 0 HG3 ARG A 103 30.856 5.555 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 103 32.401 7.046 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 103 33.447 7.153 10.223 1.00 0.00 H new ATOM 0 HE ARG A 103 33.092 4.395 9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 103 34.444 7.262 8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 103 35.650 6.343 7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 103 34.644 3.222 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 103 35.763 4.066 7.449 1.00 0.00 H new ATOM 1637 N ALA A 104 31.572 8.484 13.927 1.00 0.00 N ATOM 1638 CA ALA A 104 32.536 8.534 15.019 1.00 0.00 C ATOM 1639 C ALA A 104 31.886 8.145 16.343 1.00 0.00 C ATOM 1640 O ALA A 104 32.555 7.662 17.255 1.00 0.00 O ATOM 1641 CB ALA A 104 33.149 9.923 15.118 1.00 0.00 C ATOM 0 H ALA A 104 31.311 9.396 13.553 1.00 0.00 H new ATOM 0 HA ALA A 104 33.326 7.814 14.807 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.867 9.946 15.938 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.657 10.164 14.184 1.00 0.00 H new ATOM 0 HB3 ALA A 104 32.363 10.655 15.303 1.00 0.00 H new ATOM 1647 N GLY A 105 30.577 8.359 16.440 1.00 0.00 N ATOM 1648 CA GLY A 105 29.860 8.025 17.657 1.00 0.00 C ATOM 1649 C GLY A 105 29.999 9.094 18.723 1.00 0.00 C ATOM 1650 O GLY A 105 29.642 8.874 19.882 1.00 0.00 O ATOM 0 H GLY A 105 30.001 8.757 15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.804 7.882 17.426 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.232 7.077 18.046 1.00 0.00 H new ATOM 1654 N CYS A 106 30.519 10.252 18.334 1.00 0.00 N ATOM 1655 CA CYS A 106 30.707 11.358 19.266 1.00 0.00 C ATOM 1656 C CYS A 106 29.378 12.041 19.574 1.00 0.00 C ATOM 1657 O CYS A 106 28.582 12.305 18.673 1.00 0.00 O ATOM 1658 CB CYS A 106 31.695 12.374 18.692 1.00 0.00 C ATOM 1659 SG CYS A 106 32.519 13.390 19.941 1.00 0.00 S ATOM 0 H CYS A 106 30.818 10.450 17.379 1.00 0.00 H new ATOM 0 HA CYS A 106 31.111 10.954 20.194 1.00 0.00 H new ATOM 0 HB2 CYS A 106 32.452 11.843 18.115 1.00 0.00 H new ATOM 0 HB3 CYS A 106 31.166 13.028 17.999 1.00 0.00 H new ATOM 0 HG CYS A 106 33.336 14.216 19.358 1.00 0.00 H new ATOM 1665 N GLU A 107 29.145 12.322 20.852 1.00 0.00 N ATOM 1666 CA GLU A 107 27.911 12.971 21.279 1.00 0.00 C ATOM 1667 C GLU A 107 27.893 14.437 20.854 1.00 0.00 C ATOM 1668 O GLU A 107 27.059 14.849 20.048 1.00 0.00 O ATOM 1669 CB GLU A 107 27.752 12.867 22.797 1.00 0.00 C ATOM 1670 CG GLU A 107 27.662 11.437 23.303 1.00 0.00 C ATOM 1671 CD GLU A 107 27.911 11.329 24.794 1.00 0.00 C ATOM 1672 OE1 GLU A 107 28.747 12.098 25.314 1.00 0.00 O ATOM 1673 OE2 GLU A 107 27.270 10.475 25.442 1.00 0.00 O ATOM 0 H GLU A 107 29.794 12.110 21.610 1.00 0.00 H new ATOM 0 HA GLU A 107 27.077 12.460 20.798 1.00 0.00 H new ATOM 0 HB2 GLU A 107 28.597 13.361 23.277 1.00 0.00 H new ATOM 0 HB3 GLU A 107 26.854 13.407 23.098 1.00 0.00 H new ATOM 0 HG2 GLU A 107 26.675 11.036 23.073 1.00 0.00 H new ATOM 0 HG3 GLU A 107 28.388 10.821 22.772 1.00 0.00 H new TER 1680 GLU A 107